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@H](NCC(F)(F)C(=O)[O-])C(C)C	ZINC000685957860	538905402	/nfs/dbraw/zinc/90/54/02/538905402.db2.gz	JHGPENVATRZRCL-ZETCQYMHSA-N	-1	0	205.204	0.954	10	30		BCEERM
Cc1cc([O-])c(-c2ccc(C#N)c(=O)[nH]2)c(=O)o1	ZINC000072416069	178193553	/nfs/dbraw/zinc/19/35/53/178193553.db2.gz	XMUCQQKHXFDXTH-UHFFFAOYSA-N	-1	0	244.206	0.881	10	30		BCEERM
C#CCNC(=O)COc1ccccc1C(=O)[O-]	ZINC000019519392	166174720	/nfs/dbraw/zinc/17/47/20/166174720.db2.gz	QNXIBIQIJRMDLW-UHFFFAOYSA-N	-1	0	233.223	0.513	10	30		BCEERM
C#CCNC(=O)N[C@@](C)(C(=O)[O-])C1CC1	ZINC000019512935	166180268	/nfs/dbraw/zinc/18/02/68/166180268.db2.gz	TVYXZLJNZYLXIS-SNVBAGLBSA-N	-1	0	210.233	0.172	10	30		BCEERM
CC(C)N(CC(=O)[O-])c1nccnc1C#N	ZINC000054376651	187271967	/nfs/dbraw/zinc/27/19/67/187271967.db2.gz	DZALQYHHPAIVBW-UHFFFAOYSA-N	-1	0	220.232	0.648	10	30		BCEERM
Cn1nnc(Br)c1C#CC(=O)[O-]	ZINC000236101693	344296782	/nfs/dbraw/zinc/29/67/82/344296782.db2.gz	GRQYYJNDFSBJEC-UHFFFAOYSA-N	-1	0	230.021	0.014	10	30		BCEERM
C#CCC(=O)Nc1cccc(C(=O)[O-])n1	ZINC000236453131	344386320	/nfs/dbraw/zinc/38/63/20/344386320.db2.gz	AMSCREWFIDOTDL-UHFFFAOYSA-N	-1	0	204.185	0.742	10	30		BCEERM
N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1ncc[n-]1	ZINC000381062597	344475423	/nfs/dbraw/zinc/47/54/23/344475423.db2.gz	LRPYBNSVVXRVLP-HTQZYQBOSA-N	-1	0	240.288	0.380	10	30		BCEERM
N#Cc1c(F)cc(F)cc1[C@H](O)C(=O)[O-]	ZINC000396147792	344621110	/nfs/dbraw/zinc/62/11/10/344621110.db2.gz	YJVMMOHMLJZQJU-QMMMGPOBSA-N	-1	0	213.139	0.954	10	30		BCEERM
N#Cc1c([N+](=O)[O-])ccc(O)c1C(=O)[O-]	ZINC000396154409	344626505	/nfs/dbraw/zinc/62/65/05/344626505.db2.gz	DSXOSJLTZDYGFW-UHFFFAOYSA-N	-1	0	208.129	0.870	10	30		BCEERM
N#Cc1c(C=O)cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000396155171	344626831	/nfs/dbraw/zinc/62/68/31/344626831.db2.gz	GLOGIBUWGKMQOO-UHFFFAOYSA-N	-1	0	220.140	0.977	10	30		BCEERM
Cc1ccc(CO)c(C#N)c1CC(=O)[O-]	ZINC000396169226	344630500	/nfs/dbraw/zinc/63/05/00/344630500.db2.gz	YHDCNHGCWGMWDP-UHFFFAOYSA-N	-1	0	205.213	0.986	10	30		BCEERM
N#Cc1c(C=O)cc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000396168082	344637311	/nfs/dbraw/zinc/63/73/11/344637311.db2.gz	ZMRCCMOJVNWDSN-UHFFFAOYSA-N	-1	0	220.140	0.977	10	30		BCEERM
C[C@@H](C(=O)[O-])N(C)c1cnccc1C#N	ZINC000135580125	344759557	/nfs/dbraw/zinc/75/95/57/344759557.db2.gz	DVMZHLPIEMUYMV-ZETCQYMHSA-N	-1	0	205.217	0.863	10	30		BCEERM
C=C[C@]1(CC(=O)[O-])CCCS(=O)(=O)C1	ZINC000675052720	537859151	/nfs/dbraw/zinc/85/91/51/537859151.db2.gz	IGKCKVRLAUSZGH-SECBINFHSA-N	-1	0	218.274	0.842	10	30		BCEERM
C#C[C@H](C)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000235511821	344929347	/nfs/dbraw/zinc/92/93/47/344929347.db2.gz	BFJTVTIZMFJALS-XHNCKOQMSA-N	-1	0	209.245	0.625	10	30		BCEERM
N#C[C@H](CO)c1nc[nH]c(=O)c1Br	ZINC000166955202	345961572	/nfs/dbraw/zinc/96/15/72/345961572.db2.gz	DPHIVJLTFUJZNG-SCSAIBSYSA-N	-1	0	244.048	0.132	10	30		BCEERM
CSc1ccc(C(=O)Nc2nnn[n-]2)nc1	ZINC000028259825	187319949	/nfs/dbraw/zinc/31/99/49/187319949.db2.gz	DCLLDLZCTRMHHG-UHFFFAOYSA-N	-1	0	236.260	0.953	10	30		BCEERM
C#CC(=O)N1CC[C@H](CC)C[C@H]1C(=O)[O-]	ZINC000167625666	346291262	/nfs/dbraw/zinc/29/12/62/346291262.db2.gz	OXMMLAYOTANMKA-IUCAKERBSA-N	-1	0	209.245	0.721	10	30		BCEERM
N#CC1=C([O-])NC(=S)NC12CCCC2	ZINC000196307181	347868028	/nfs/dbraw/zinc/86/80/28/347868028.db2.gz	OFOVTEBJJOXKPS-ZCFIWIBFSA-N	-1	0	209.274	0.443	10	30		BCEERM
Cc1nn(C)c(N2CCC[C@H]2C(=O)[O-])c1C#N	ZINC000111615373	180356828	/nfs/dbraw/zinc/35/68/28/180356828.db2.gz	GAHSHJOBKOGQNS-VIFPVBQESA-N	-1	0	234.259	0.654	10	30		BCEERM
C#C[C@H](CC)Nc1cc(C(=O)[O-])ncn1	ZINC000306859198	351184491	/nfs/dbraw/zinc/18/44/91/351184491.db2.gz	CYIIZONUWFMAMX-SSDOTTSWSA-N	-1	0	205.217	0.999	10	30		BCEERM
C[C@@H](NC(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000606301855	351551502	/nfs/dbraw/zinc/55/15/02/351551502.db2.gz	IYYFCADLLUHWGT-RXMQYKEDSA-N	-1	0	208.173	0.354	10	30		BCEERM
CS/C(=N/C#N)n1ccc(C(=O)[O-])n1	ZINC000073736642	187597619	/nfs/dbraw/zinc/59/76/19/187597619.db2.gz	AYUPXSCHWPXZIT-VQHVLOKHSA-N	-1	0	210.218	0.629	10	30		BCEERM
N#CCCN(C(=O)NCCCC(=O)[O-])C1CC1	ZINC000042549952	187946808	/nfs/dbraw/zinc/94/68/08/187946808.db2.gz	CQLDYOKFMOLDOP-UHFFFAOYSA-N	-1	0	239.275	0.939	10	30		BCEERM
C#CC[C@@H](C(=O)[O-])N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O	ZINC000106235311	188052105	/nfs/dbraw/zinc/05/21/05/188052105.db2.gz	ZQBACRIXZRVKHP-AEJSXWLSSA-N	-1	0	247.250	0.414	10	30		BCEERM
CC#CC(=O)N1[C@@H](C)SC[C@@H]1C(=O)[O-]	ZINC000232602429	353143496	/nfs/dbraw/zinc/14/34/96/353143496.db2.gz	CNSPIYFBNXXSEJ-RNFRBKRXSA-N	-1	0	213.258	0.384	10	30		BCEERM
N#Cc1ccc([C@H]([NH3+])P(=O)([O-])[O-])cc1	ZINC000232616776	353144078	/nfs/dbraw/zinc/14/40/78/353144078.db2.gz	HGILRAJIIYUVJD-MRVPVSSYSA-N	-1	0	212.145	0.693	10	30		BCEERM
C=C(Cl)CN1C(=O)CC[C@@H]1C(=O)[O-]	ZINC000061447038	188404064	/nfs/dbraw/zinc/40/40/64/188404064.db2.gz	KKMXFLRBTURZFQ-ZCFIWIBFSA-N	-1	0	203.625	0.815	10	30		BCEERM
N#C/C(=N/[O-])S(=O)(=O)c1ccccc1	ZINC000100015916	181025026	/nfs/dbraw/zinc/02/50/26/181025026.db2.gz	WUECNENOORYKIB-NTMALXAHSA-N	-1	0	210.214	0.772	10	30		BCEERM
N#CCCN(Cc1cccnc1)C(=O)C(=O)[O-]	ZINC000035320634	181037635	/nfs/dbraw/zinc/03/76/35/181037635.db2.gz	VIQOZDNLINRPAB-UHFFFAOYSA-N	-1	0	233.227	0.408	10	30		BCEERM
N#CCN(CC#N)c1ccc(C(=O)[O-])cc1N	ZINC000037930422	181040600	/nfs/dbraw/zinc/04/06/00/181040600.db2.gz	FBSFHZBSDQJBSO-UHFFFAOYSA-N	-1	0	230.227	0.821	10	30		BCEERM
N#Cc1c(=O)[n-]c(=O)[nH]c1-c1ccco1	ZINC000004958092	181073040	/nfs/dbraw/zinc/07/30/40/181073040.db2.gz	BJXSIZHBBSIZEH-UHFFFAOYSA-N	-1	0	203.157	0.607	10	30		BCEERM
N#Cc1cccc(/C=C/C(=O)NCC(=O)[O-])c1	ZINC000037433621	181134315	/nfs/dbraw/zinc/13/43/15/181134315.db2.gz	XLMPUTRIARUHKE-SNAWJCMRSA-N	-1	0	230.223	0.772	10	30		BCEERM
N#Cc1cccnc1N1CC(C(=O)[O-])C1	ZINC000070569486	181151002	/nfs/dbraw/zinc/15/10/02/181151002.db2.gz	BJOHYDWBBFRBLF-UHFFFAOYSA-N	-1	0	203.201	0.474	10	30		BCEERM
N#Cc1ccccc1NC(=O)CC(=O)[O-]	ZINC000020205199	181147950	/nfs/dbraw/zinc/14/79/50/181147950.db2.gz	SJAZJHPDWJKZBJ-UHFFFAOYSA-N	-1	0	204.185	0.971	10	30		BCEERM
NC(=N[O-])c1nc2ccc([N+](=O)[O-])cc2o1	ZINC000675057847	538480916	/nfs/dbraw/zinc/48/09/16/538480916.db2.gz	KWAYTXKVNSUQMF-UHFFFAOYSA-N	-1	0	222.160	0.831	10	30		BCEERM
C#CCO[N-]C(=O)c1cc(CC)c(C)[nH]c1=O	ZINC000584631936	358314135	/nfs/dbraw/zinc/31/41/35/358314135.db2.gz	FJWYNGSDWOAYTO-UHFFFAOYSA-N	-1	0	234.255	0.953	10	30		BCEERM
O=C([O-])c1cc(=O)[nH]c(C#CC2CC2)n1	ZINC000584636823	358321676	/nfs/dbraw/zinc/32/16/76/358321676.db2.gz	FFKHXNLYXWPANG-UHFFFAOYSA-N	-1	0	204.185	0.642	10	30		BCEERM
C=CCN(CC(=O)[O-])C(=O)N1CCSCC1	ZINC000086138649	358418823	/nfs/dbraw/zinc/41/88/23/358418823.db2.gz	RWJAREQDOIYOAB-UHFFFAOYSA-N	-1	0	244.316	0.728	10	30		BCEERM
CC#CCCN1C[C@@H](C(=O)[O-])CCC1=O	ZINC000161373215	368140107	/nfs/dbraw/zinc/14/01/07/368140107.db2.gz	MOCXKEUDYDYCGH-VIFPVBQESA-N	-1	0	209.245	0.723	10	30		BCEERM
C[C@@H](CC(=O)[O-])n1cnc(C#N)c1C#N	ZINC000164667889	372181204	/nfs/dbraw/zinc/18/12/04/372181204.db2.gz	CYOQZMQTQCPIHF-LURJTMIESA-N	-1	0	204.189	0.662	10	30		BCEERM
O=C([O-])C#Cc1ccc2c(c1)OCCO2	ZINC000032010222	182416072	/nfs/dbraw/zinc/41/60/72/182416072.db2.gz	OSHCIVTUYOLQFT-UHFFFAOYSA-N	-1	0	204.181	0.894	10	30		BCEERM
O=C([O-])c1ccc2c(c1)C(=O)N(O)C2=O	ZINC000034573968	182572659	/nfs/dbraw/zinc/57/26/59/182572659.db2.gz	ILJTZGSGCNDILQ-UHFFFAOYSA-N	-1	0	207.141	0.370	10	30		BCEERM
COCCn1cc(C#N)c(N)c1C(=O)[O-]	ZINC000020284600	384609058	/nfs/dbraw/zinc/60/90/58/384609058.db2.gz	DFTUJCROYUDLRA-UHFFFAOYSA-N	-1	0	209.205	0.287	10	30		BCEERM
N#Cc1cc(F)c([C@@H](O)C(=O)[O-])cc1F	ZINC000260009263	385645554	/nfs/dbraw/zinc/64/55/54/385645554.db2.gz	CQVQUOMQCIHHLW-MRVPVSSYSA-N	-1	0	213.139	0.954	10	30		BCEERM
N#Cc1c(CC(=O)[O-])ccc(C=O)c1[N+](=O)[O-]	ZINC000575390951	386959861	/nfs/dbraw/zinc/95/98/61/386959861.db2.gz	KTFHMEAAMAHMSN-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
N#Cc1cc(C=O)c([N+](=O)[O-])cc1CC(=O)[O-]	ZINC000575390902	386961009	/nfs/dbraw/zinc/96/10/09/386961009.db2.gz	ITDMIPDPLJBTEZ-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
N#Cc1cc([N+](=O)[O-])cc(CC(=O)[O-])c1CO	ZINC000575391170	386961590	/nfs/dbraw/zinc/96/15/90/386961590.db2.gz	QBYIEXNKJUFSFA-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
COC(=O)Cc1c([O-])c(C#N)ccc1[N+](=O)[O-]	ZINC000575391877	386963057	/nfs/dbraw/zinc/96/30/57/386963057.db2.gz	SWYOMIRVPRNNNP-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
C=CCC[C@H](NC(=O)[C@@H](C)COC)C(=O)[O-]	ZINC000262786223	135318028	/nfs/dbraw/zinc/31/80/28/135318028.db2.gz	BLTFMHAOXLDRBP-IUCAKERBSA-N	-1	0	229.276	0.805	10	30		BCEERM
C=C[C@@H]1OCC[C@H]1Nc1cnc(C(=O)[O-])cn1	ZINC000263418230	135352613	/nfs/dbraw/zinc/35/26/13/135352613.db2.gz	OOJNGCQNRYBRNC-APPZFPTMSA-N	-1	0	235.243	0.930	10	30		BCEERM
C=CC[C@@H](CO)CNc1cnc(C(=O)[O-])cn1	ZINC000263438251	135354247	/nfs/dbraw/zinc/35/42/47/135354247.db2.gz	WASICRUCLIAJMR-MRVPVSSYSA-N	-1	0	237.259	0.771	10	30		BCEERM
CC(C)C[C@H](NS(=O)(=O)CCC#N)C(=O)[O-]	ZINC000263541713	135358852	/nfs/dbraw/zinc/35/88/52/135358852.db2.gz	DFYHSZFEAQYOHR-QMMMGPOBSA-N	-1	0	248.304	0.319	10	30		BCEERM
C=CCCOCCNC(=O)N(C)CCC(=O)[O-]	ZINC000231836102	135636154	/nfs/dbraw/zinc/63/61/54/135636154.db2.gz	HBRPUXOSAAKIBN-UHFFFAOYSA-N	-1	0	244.291	0.695	10	30		BCEERM
C#CC(=O)N(C)c1ccccc1C(=O)[O-]	ZINC000019511871	166109252	/nfs/dbraw/zinc/10/92/52/166109252.db2.gz	TWLKMNNYGXHGBA-UHFFFAOYSA-N	-1	0	203.197	0.981	10	30		BCEERM
C#CCCNC(=O)N[C@H](CCC)C(=O)[O-]	ZINC000019428709	166143849	/nfs/dbraw/zinc/14/38/49/166143849.db2.gz	SKAKSIPZLWHBMQ-MRVPVSSYSA-N	-1	0	212.249	0.562	10	30		BCEERM
C#CC(=O)N1CCCC[C@H]1CCC(=O)[O-]	ZINC000050921490	166109546	/nfs/dbraw/zinc/10/95/46/166109546.db2.gz	MRYSLDUMUDKSKM-VIFPVBQESA-N	-1	0	209.245	0.866	10	30		BCEERM
C#CC(=O)NC1(C(=O)[O-])CCCCCC1	ZINC000036947278	166109639	/nfs/dbraw/zinc/10/96/39/166109639.db2.gz	TVDQAVVFKICDDO-UHFFFAOYSA-N	-1	0	209.245	0.913	10	30		BCEERM
C#CC(CC)(CC)NC(=O)/C=C/C(=O)[O-]	ZINC000003157716	166114345	/nfs/dbraw/zinc/11/43/45/166114345.db2.gz	PMPOSXZEVMBIBX-BQYQJAHWSA-N	-1	0	209.245	0.935	10	30		BCEERM
C#CC(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-]	ZINC000019518589	166108433	/nfs/dbraw/zinc/10/84/33/166108433.db2.gz	NIEDTPAPBKLNRS-UHFFFAOYSA-N	-1	0	249.222	0.974	10	30		BCEERM
C#CCCNC(=O)N[C@@H](CCC)C(=O)[O-]	ZINC000019428711	166143129	/nfs/dbraw/zinc/14/31/29/166143129.db2.gz	SKAKSIPZLWHBMQ-QMMMGPOBSA-N	-1	0	212.249	0.562	10	30		BCEERM
C#CCCNC(=O)N[C@@](C)(C(=O)[O-])C1CC1	ZINC000019433434	166143389	/nfs/dbraw/zinc/14/33/89/166143389.db2.gz	KXUCWHZWHWUZGA-LLVKDONJSA-N	-1	0	224.260	0.562	10	30		BCEERM
C#CCNC(=O)N(CC(=O)[O-])C1CCCC1	ZINC000040520523	166176504	/nfs/dbraw/zinc/17/65/04/166176504.db2.gz	RCXPCRRDBZHGTB-UHFFFAOYSA-N	-1	0	224.260	0.658	10	30		BCEERM
C#CCNC(=O)NC1(C(=O)[O-])CCCC1	ZINC000019476762	166177552	/nfs/dbraw/zinc/17/75/52/166177552.db2.gz	QQVCQTRZNFIDEG-UHFFFAOYSA-N	-1	0	210.233	0.316	10	30		BCEERM
C#CCNC(=O)NC1(C(=O)[O-])CCCCC1	ZINC000019519395	166177756	/nfs/dbraw/zinc/17/77/56/166177756.db2.gz	NKEBKEMJVJMGJD-UHFFFAOYSA-N	-1	0	224.260	0.706	10	30		BCEERM
C#CCNC(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000104314658	166181072	/nfs/dbraw/zinc/18/10/72/166181072.db2.gz	KPCNIJPQEQTMPT-UHFFFAOYSA-N	-1	0	248.238	0.905	10	30		BCEERM
C#CCN[C@@](C)(C(=O)[O-])c1ccccn1	ZINC000041730903	166190031	/nfs/dbraw/zinc/19/00/31/166190031.db2.gz	KMXGJHXSUJBRGS-LLVKDONJSA-N	-1	0	204.229	0.604	10	30		BCEERM
C=CCNC(=O)CN(CC(=O)[O-])c1ccccc1	ZINC000037595540	166364607	/nfs/dbraw/zinc/36/46/07/166364607.db2.gz	CYZLQCFPRSOTKS-UHFFFAOYSA-N	-1	0	248.282	0.880	10	30		BCEERM
C=CCNC(=O)N1C[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000040521409	166377275	/nfs/dbraw/zinc/37/72/75/166377275.db2.gz	HQCSJMJGDJVILI-JGVFFNPUSA-N	-1	0	228.248	0.056	10	30		BCEERM
C=CC[C@@H](NS(=O)(=O)CC(C)(C)C)C(=O)[O-]	ZINC000127545522	411495182	/nfs/dbraw/zinc/49/51/82/411495182.db2.gz	OXNMAQHKCKMGNG-MRVPVSSYSA-N	-1	0	249.332	0.981	10	30		BCEERM
COCC[C@@H](Nc1nccnc1C#N)C(=O)[O-]	ZINC000054376772	174395344	/nfs/dbraw/zinc/39/53/44/174395344.db2.gz	SQSQKQWHHZKZCP-SSDOTTSWSA-N	-1	0	236.231	0.250	10	30		BCEERM
C[C@H](C#N)CN(C)C(=O)N(C)[C@@H](C)C(=O)[O-]	ZINC000054055550	176552177	/nfs/dbraw/zinc/55/21/77/176552177.db2.gz	AXONPSCYODBLQB-SFYZADRCSA-N	-1	0	227.264	0.603	10	30		BCEERM
C[C@H](C#N)CN(C)C(=O)NC(=O)CCC(=O)[O-]	ZINC000042460972	176552197	/nfs/dbraw/zinc/55/21/97/176552197.db2.gz	NTDSUATXSPUSJY-SSDOTTSWSA-N	-1	0	241.247	0.179	10	30		BCEERM
O=C([O-])C#Cc1cnn(C[C@@H]2CCCO2)c1	ZINC000072209910	527550018	/nfs/dbraw/zinc/55/00/18/527550018.db2.gz	BLAPWWMCCJSSOD-JTQLQIEISA-N	-1	0	220.228	0.498	10	30		BCEERM
N#Cc1cnn(CC(F)(F)C(=O)[O-])c1	ZINC000214268801	582457637	/nfs/dbraw/zinc/45/76/37/582457637.db2.gz	OULPCSHEVWNJNW-UHFFFAOYSA-N	-1	0	201.132	0.475	10	30		BCEERM
COc1cncc(C#CC(=O)[O-])c1C=O	ZINC000757566073	586305032	/nfs/dbraw/zinc/30/50/32/586305032.db2.gz	DPMKLYXKZZOBPN-UHFFFAOYSA-N	-1	0	205.169	0.339	10	30		BCEERM
C#C[C@@H](CO)Nc1cc(C)cc(C(=O)[O-])n1	ZINC000757175535	586433161	/nfs/dbraw/zinc/43/31/61/586433161.db2.gz	ABZHAXFEDHPJGY-QMMMGPOBSA-N	-1	0	220.228	0.494	10	30		BCEERM
COc1cc(C#CC(=O)[O-])cc(C=O)c1O	ZINC000757567611	586462147	/nfs/dbraw/zinc/46/21/47/586462147.db2.gz	JRCBGEVTQJMNPG-UHFFFAOYSA-N	-1	0	220.180	0.649	10	30		BCEERM
C#C[C@H](CC)Nc1ncncc1C(=O)[O-]	ZINC000300815816	592520789	/nfs/dbraw/zinc/52/07/89/592520789.db2.gz	CNBAXKQADHNQFB-SSDOTTSWSA-N	-1	0	205.217	0.999	10	30		BCEERM
CC[C@H](NN=Cc1cnn(C)c1C)C(=O)[O-]	ZINC000309728022	633995858	/nfs/dbraw/zinc/99/58/58/633995858.db2.gz	DPHAVFFDBCCFII-VIFPVBQESA-N	-1	0	224.264	0.515	10	30		BCEERM
C#CC[C@H](NC(=O)[C@@H]1OCC[C@H]1C)C(=O)[O-]	ZINC000127386301	636497172	/nfs/dbraw/zinc/49/71/72/636497172.db2.gz	IEXSPUFHOVDWCR-HRDYMLBCSA-N	-1	0	225.244	0.004	10	30		BCEERM
C#CC(C)(C)Nc1nccc(C(=O)[O-])n1	ZINC000231951777	641219115	/nfs/dbraw/zinc/21/91/15/641219115.db2.gz	PVTPVQSEWZLGER-UHFFFAOYSA-N	-1	0	205.217	0.999	10	30		BCEERM
C#CCN(CC(=O)[O-])C(=O)N(CC)CC	ZINC000086140225	643922713	/nfs/dbraw/zinc/92/27/13/643922713.db2.gz	JIIONFCMRQRKSY-UHFFFAOYSA-N	-1	0	212.249	0.468	10	30		BCEERM
C#CCN(CC(=O)[O-])C(=O)N1CCSCC1	ZINC000086140796	643924286	/nfs/dbraw/zinc/92/42/86/643924286.db2.gz	QQZDGURFOSQYPM-UHFFFAOYSA-N	-1	0	242.300	0.175	10	30		BCEERM
CC1(C)C(=NNCC(=O)[O-])[C@@H]2CCO[C@H]21	ZINC000378669740	712356686	/nfs/dbraw/zinc/35/66/86/712356686.db2.gz	JBOCVXJGZFMQMV-IMTBSYHQSA-N	-1	0	212.249	0.462	10	30		BCEERM
CC1(C)C(=NNCC(=O)[O-])[C@@H]2CCO[C@@H]21	ZINC000378669742	712356870	/nfs/dbraw/zinc/35/68/70/712356870.db2.gz	JBOCVXJGZFMQMV-RCOVLWMOSA-N	-1	0	212.249	0.462	10	30		BCEERM
C#CCN(CC=C)CC(F)(F)C(=O)[O-]	ZINC000685956008	538901721	/nfs/dbraw/zinc/90/17/21/538901721.db2.gz	IPUWNJMMOBMKPW-UHFFFAOYSA-N	-1	0	203.188	0.828	10	30		BCEERM
Cc1ccc(C#N)c(NCc2nnn[n-]2)c1	ZINC000051580304	178364058	/nfs/dbraw/zinc/36/40/58/178364058.db2.gz	PFRLKDCGSFTFRL-UHFFFAOYSA-N	-1	0	214.232	0.992	10	30		BCEERM
CS(=O)(=O)C(C#N)=C([O-])c1ccncc1	ZINC000107830863	539027231	/nfs/dbraw/zinc/02/72/31/539027231.db2.gz	USHPYCBNWURSFK-QMMMGPOBSA-N	-1	0	224.241	0.201	10	30		BCEERM
Nc1nc(N)c(N=Cc2ccco2)c(=O)[nH]1	ZINC000254557679	398318533	/nfs/dbraw/zinc/31/85/33/398318533.db2.gz	NPPPNPAMRPPBBK-UHFFFAOYSA-N	-1	0	219.204	0.690	10	30		BCEERM
N#C[C@H]1CCC[C@@H]1NC(=O)/C=C\C(=O)[O-]	ZINC000227186647	342886039	/nfs/dbraw/zinc/88/60/39/342886039.db2.gz	OEBASLJGMORBFH-YKCGFPGDSA-N	-1	0	208.217	0.436	10	30		BCEERM
CCOC(=O)/C=C/C(=N\[O-])C(=O)OCC	ZINC000106106846	259349331	/nfs/dbraw/zinc/34/93/31/259349331.db2.gz	GLBWGBBRYJWTFT-WEYXYWBQSA-N	-1	0	215.205	0.499	10	30		BCEERM
N#CCS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000036893997	187249956	/nfs/dbraw/zinc/24/99/56/187249956.db2.gz	IYPAOYSGKAXYGZ-UHFFFAOYSA-N	-1	0	243.215	0.821	10	30		BCEERM
CC#CCOC(=O)C[N-]C(=O)C(F)(F)F	ZINC000217047469	343247442	/nfs/dbraw/zinc/24/74/42/343247442.db2.gz	MBYHAPSLVHSOBT-UHFFFAOYSA-N	-1	0	223.150	0.231	10	30		BCEERM
C#CCN[C@](C)(C(=O)[O-])c1ccccn1	ZINC000041730907	166192342	/nfs/dbraw/zinc/19/23/42/166192342.db2.gz	KMXGJHXSUJBRGS-NSHDSACASA-N	-1	0	204.229	0.604	10	30		BCEERM
C#CCO[N-]C(=O)C1(Br)CCC1	ZINC000307172605	343916611	/nfs/dbraw/zinc/91/66/11/343916611.db2.gz	PVIDVAFDYPKJIC-UHFFFAOYSA-N	-1	0	232.077	0.985	10	30		BCEERM
C#CC[C@@H](Nc1ccnc(C)n1)C(=O)[O-]	ZINC000127578730	344566868	/nfs/dbraw/zinc/56/68/68/344566868.db2.gz	VNHUQPQDNMLYGK-MRVPVSSYSA-N	-1	0	205.217	0.673	10	30		BCEERM
N#Cc1c(F)ccc(F)c1[C@@H](O)C(=O)[O-]	ZINC000396143679	344617085	/nfs/dbraw/zinc/61/70/85/344617085.db2.gz	NKJTWWHEGJUHBI-MRVPVSSYSA-N	-1	0	213.139	0.954	10	30		BCEERM
N#Cc1cc([N+](=O)[O-])cc(C=O)c1C(=O)[O-]	ZINC000396152749	344625230	/nfs/dbraw/zinc/62/52/30/344625230.db2.gz	BZHXCKGMIMEFFY-UHFFFAOYSA-N	-1	0	220.140	0.977	10	30		BCEERM
Cc1ccc(C#N)cc1NC(=O)C(=O)[O-]	ZINC000050436646	344689237	/nfs/dbraw/zinc/68/92/37/344689237.db2.gz	FGUJFKYWMGBQAW-UHFFFAOYSA-N	-1	0	204.185	0.890	10	30		BCEERM
Cc1nn(C)c(NOCC(=O)[O-])c1C#N	ZINC000135591394	344767320	/nfs/dbraw/zinc/76/73/20/344767320.db2.gz	QZEGTOLQYABWTB-UHFFFAOYSA-N	-1	0	210.193	0.028	10	30		BCEERM
N#Cc1cc(C=O)c(CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000514275609	344911911	/nfs/dbraw/zinc/91/19/11/344911911.db2.gz	CHYKDZWGKGZJKU-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
N#Cc1ccc(CC(=O)[O-])c(C=O)c1[N+](=O)[O-]	ZINC000514275980	344911993	/nfs/dbraw/zinc/91/19/93/344911993.db2.gz	LOYRTCKWOGRCKZ-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
N#CCc1n[n-]c2nc(=S)[nH]c(N)c12	ZINC000089222745	191020372	/nfs/dbraw/zinc/02/03/72/191020372.db2.gz	FYWZOBYRBUYTPK-UHFFFAOYSA-N	-1	0	206.234	0.664	10	30		BCEERM
Cc1nc2c(C#N)cnn2c(C)c1CC(=O)[O-]	ZINC000019410140	180060991	/nfs/dbraw/zinc/06/09/91/180060991.db2.gz	QZECVGNOGGMVCE-UHFFFAOYSA-N	-1	0	230.227	0.845	10	30		BCEERM
C#CCC(=O)N1CCC[C@@H](C(=O)[O-])[C@H]1C	ZINC000306679164	350834345	/nfs/dbraw/zinc/83/43/45/350834345.db2.gz	HXSIKRUGMIMUFI-RKDXNWHRSA-N	-1	0	209.245	0.721	10	30		BCEERM
C[C@H]1C[C@@H](C(=O)NCC#N)[C@@H](C(=O)[O-])C1	ZINC000228893301	351477966	/nfs/dbraw/zinc/47/79/66/351477966.db2.gz	QJPADAXXGHOPNJ-RNJXMRFFSA-N	-1	0	210.233	0.373	10	30		BCEERM
C#C[C@H](C)NC(=O)c1occc1C(=O)[O-]	ZINC000307533175	352639068	/nfs/dbraw/zinc/63/90/68/352639068.db2.gz	GZEIOBPQWYBVNU-LURJTMIESA-N	-1	0	207.185	0.729	10	30		BCEERM
CC#CC(=O)N1[C@H](C)SC[C@@H]1C(=O)[O-]	ZINC000232602952	353143473	/nfs/dbraw/zinc/14/34/73/353143473.db2.gz	CNSPIYFBNXXSEJ-NKWVEPMBSA-N	-1	0	213.258	0.384	10	30		BCEERM
N#CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000040605439	188292774	/nfs/dbraw/zinc/29/27/74/188292774.db2.gz	MBKNROAITULJJC-SFYZADRCSA-N	-1	0	210.233	0.517	10	30		BCEERM
N#CCNC(=O)COc1ccccc1C(=O)[O-]	ZINC000019267822	181042603	/nfs/dbraw/zinc/04/26/03/181042603.db2.gz	SGWPDJNVAZGGCN-UHFFFAOYSA-N	-1	0	234.211	0.403	10	30		BCEERM
N#CCN(CC#N)c1cc(C(=O)[O-])ccn1	ZINC000019844901	181040509	/nfs/dbraw/zinc/04/05/09/181040509.db2.gz	RNIYXBBWNMPIQQ-UHFFFAOYSA-N	-1	0	216.200	0.633	10	30		BCEERM
N#C[C@H]1CCC[C@H]1NC(=O)/C=C/C(=O)[O-]	ZINC000061889921	181068960	/nfs/dbraw/zinc/06/89/60/181068960.db2.gz	OEBASLJGMORBFH-IVZJMYDKSA-N	-1	0	208.217	0.436	10	30		BCEERM
N#Cc1ccc(Cn2[n-]c(=O)ccc2=O)cc1	ZINC000019505731	181111704	/nfs/dbraw/zinc/11/17/04/181111704.db2.gz	LEVYVFWYHDXUBW-UHFFFAOYSA-N	-1	0	227.223	0.457	10	30		BCEERM
N#Cc1ccc(NS(=O)(=O)CC(=O)[O-])cc1	ZINC000020245051	181124272	/nfs/dbraw/zinc/12/42/72/181124272.db2.gz	IOURBRNWDJGGQC-UHFFFAOYSA-N	-1	0	240.240	0.385	10	30		BCEERM
N#Cc1nccnc1N1CCC[C@H]1C(=O)[O-]	ZINC000054376615	181172835	/nfs/dbraw/zinc/17/28/35/181172835.db2.gz	JYXSPEZRAUOHTA-QMMMGPOBSA-N	-1	0	218.216	0.402	10	30		BCEERM
[O-]/N=C(\Cl)c1ncc(OCCO)cn1	ZINC000584629118	358298621	/nfs/dbraw/zinc/29/86/21/358298621.db2.gz	CVSMSHLYBOGTCE-WDZFZDKYSA-N	-1	0	217.612	0.222	10	30		BCEERM
C#CCO[N-]C(=O)c1cc(C)c(C)[nH]c1=O	ZINC000584633233	358316970	/nfs/dbraw/zinc/31/69/70/358316970.db2.gz	XHAUFPUPRRQMKR-UHFFFAOYSA-N	-1	0	220.228	0.699	10	30		BCEERM
C=C(Br)CN1CC(C(=O)[O-])C1	ZINC000070569789	361564187	/nfs/dbraw/zinc/56/41/87/361564187.db2.gz	RGGITBGMKQAFJX-UHFFFAOYSA-N	-1	0	220.066	0.911	10	30		BCEERM
C=CC1(CC(=O)[O-])CCS(=O)(=O)CC1	ZINC000675053023	541430769	/nfs/dbraw/zinc/43/07/69/541430769.db2.gz	KFSGECSCLSBZRE-UHFFFAOYSA-N	-1	0	218.274	0.842	10	30		BCEERM
C=C(C)C(=O)OCCC[P@@](=O)([O-])O	ZINC000090615388	368990548	/nfs/dbraw/zinc/99/05/48/368990548.db2.gz	KYEAMYHCEZEPOJ-UHFFFAOYSA-N	-1	0	208.150	0.674	10	30		BCEERM
CC#CCNC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000163629034	372022359	/nfs/dbraw/zinc/02/23/59/372022359.db2.gz	JIDHWDQYZPZRBS-MRVPVSSYSA-N	-1	0	210.233	0.268	10	30		BCEERM
C[C@@H](C#N)[S@@](=O)c1ccc(C(=O)[O-])o1	ZINC000068984418	373101702	/nfs/dbraw/zinc/10/17/02/373101702.db2.gz	JFWFSCTZYLYFQG-UWORMDEDSA-N	-1	0	213.214	0.997	10	30		BCEERM
CCN(CCC#N)C(=O)N(CC(=O)[O-])C1CC1	ZINC000042451604	169814449	/nfs/dbraw/zinc/81/44/49/169814449.db2.gz	QZRWHOJLGOWHJC-UHFFFAOYSA-N	-1	0	239.275	0.891	10	30		BCEERM
C=C(Br)CN1C(=O)CC[C@H]1C(=O)[O-]	ZINC000061447624	384441581	/nfs/dbraw/zinc/44/15/81/384441581.db2.gz	NCTYWDAVFTVZIE-LURJTMIESA-N	-1	0	248.076	0.971	10	30		BCEERM
C[C@H](Sc1nccc(C#N)n1)C(=O)[O-]	ZINC000231923787	385885769	/nfs/dbraw/zinc/88/57/69/385885769.db2.gz	UAEQOWJYXJAZLF-YFKPBYRVSA-N	-1	0	209.230	0.913	10	30		BCEERM
COC(=O)Cc1cc(C#N)c([O-])cc1[N+](=O)[O-]	ZINC000575391254	386958008	/nfs/dbraw/zinc/95/80/08/386958008.db2.gz	BTZDMNBWXONJKM-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
N#Cc1c(C=O)ccc(CC(=O)[O-])c1[N+](=O)[O-]	ZINC000575391211	386959019	/nfs/dbraw/zinc/95/90/19/386959019.db2.gz	PCBCNLKKXGXIKJ-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
COC(=O)Cc1cc(C#N)c([N+](=O)[O-])cc1[O-]	ZINC000575391483	386960686	/nfs/dbraw/zinc/96/06/86/386960686.db2.gz	JNEFRLODCNLHFK-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
N#Cc1ccc([N+](=O)[O-])c(C=O)c1CC(=O)[O-]	ZINC000575390849	386960801	/nfs/dbraw/zinc/96/08/01/386960801.db2.gz	GDYCTLRGGZROHI-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
COC(=O)Cc1c([O-])cc([N+](=O)[O-])cc1C#N	ZINC000575391943	386964188	/nfs/dbraw/zinc/96/41/88/386964188.db2.gz	XMFLTFMQIINKCJ-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
CC(=O)O/N=C(/C(=O)[O-])c1csc(N)n1	ZINC000021992422	256522569	/nfs/dbraw/zinc/52/25/69/256522569.db2.gz	OBRMMFBYPFFKFA-BJMVGYQFSA-N	-1	0	229.217	0.077	10	30		BCEERM
O=C([O-])CN1CCCC[C@H](S)C1=O	ZINC000575449547	388731087	/nfs/dbraw/zinc/73/10/87/388731087.db2.gz	YBIMICXOLUAKMK-LURJTMIESA-N	-1	0	203.263	0.382	10	30		BCEERM
N#CC1=C([O-])NC(=S)N[C@@H]1Cc1ccccc1	ZINC000097695947	397949430	/nfs/dbraw/zinc/94/94/30/397949430.db2.gz	MLDMNIJSNQJKDZ-VHSXEESVSA-N	-1	0	245.307	0.742	10	30		BCEERM
C=C[C@H](C(=O)[O-])N(C)CCOCC1CC1	ZINC000301049868	487572479	/nfs/dbraw/zinc/57/24/79/487572479.db2.gz	SACIGYZUKHLYCM-SNVBAGLBSA-N	-1	0	213.277	0.984	10	30		BCEERM
C#CCCNC(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000019513814	166143651	/nfs/dbraw/zinc/14/36/51/166143651.db2.gz	FUZQORNOSWARHB-MRVPVSSYSA-N	-1	0	212.249	0.418	10	30		BCEERM
C#CC(=O)N1CCc2sccc2[C@H]1C(=O)[O-]	ZINC000044591692	166109022	/nfs/dbraw/zinc/10/90/22/166109022.db2.gz	FYMQHPPVPDSONC-JTQLQIEISA-N	-1	0	235.264	0.892	10	30		BCEERM
C#CCNC(=O)N[C@](C)(C(=O)[O-])c1ccccc1	ZINC000019507733	166181806	/nfs/dbraw/zinc/18/18/06/166181806.db2.gz	SYRHMMFGGAIBIY-ZDUSSCGKSA-N	-1	0	246.266	0.919	10	30		BCEERM
C#CCNC(=O)[C@H](C)Oc1ccccc1C(=O)[O-]	ZINC000020367653	166184548	/nfs/dbraw/zinc/18/45/48/166184548.db2.gz	XMUOWWAEZDAODK-VIFPVBQESA-N	-1	0	247.250	0.902	10	30		BCEERM
C#CCN[C@@]1(C(=O)[O-])COc2cc(O)ccc21	ZINC000051963668	166190291	/nfs/dbraw/zinc/19/02/91/166190291.db2.gz	XLWSJRUNSQEXCD-LBPRGKRZSA-N	-1	0	233.223	0.287	10	30		BCEERM
C=CCNC(=O)N(C)C(C)(C)C(=O)[O-]	ZINC000061172341	166374462	/nfs/dbraw/zinc/37/44/62/166374462.db2.gz	NOIQIIWZIWBMED-UHFFFAOYSA-N	-1	0	200.238	0.677	10	30		BCEERM
C=CCNC(=O)N[C@@](C)(C(=O)[O-])C1CC1	ZINC000019438706	166380366	/nfs/dbraw/zinc/38/03/66/166380366.db2.gz	JGIVVQPGIAVLKS-SNVBAGLBSA-N	-1	0	212.249	0.725	10	30		BCEERM
C=CCNC(=O)[C@@H](C)n1cc(C(=O)[O-])cn1	ZINC000020326590	166384183	/nfs/dbraw/zinc/38/41/83/166384183.db2.gz	LRFCDVAVYWOOLH-SSDOTTSWSA-N	-1	0	223.232	0.445	10	30		BCEERM
C=CCNC(=O)[C@H](CC(=O)[O-])c1ccncc1	ZINC000076615826	166390372	/nfs/dbraw/zinc/39/03/72/166390372.db2.gz	RKJQYQBSWXJWQX-SNVBAGLBSA-N	-1	0	234.255	0.942	10	30		BCEERM
C=CCNC(=O)c1ccn([C@H](C)C(=O)[O-])n1	ZINC000020316629	166393050	/nfs/dbraw/zinc/39/30/50/166393050.db2.gz	VNJGHJZRQJWQFA-SSDOTTSWSA-N	-1	0	223.232	0.445	10	30		BCEERM
C=CCNC(=O)c1ccn(CCC(=O)[O-])n1	ZINC000020317809	166393952	/nfs/dbraw/zinc/39/39/52/166393952.db2.gz	CZOZXTMDZFSDPJ-UHFFFAOYSA-N	-1	0	223.232	0.274	10	30		BCEERM
C=CCNC(=O)c1cnn(C)c1C(=O)[O-]	ZINC000020318576	166395563	/nfs/dbraw/zinc/39/55/63/166395563.db2.gz	LGMHYAUNCKSERS-UHFFFAOYSA-N	-1	0	209.205	0.034	10	30		BCEERM
C=CC[C@H](NS(=O)(=O)CC(C)(C)C)C(=O)[O-]	ZINC000127545290	411494876	/nfs/dbraw/zinc/49/48/76/411494876.db2.gz	OXNMAQHKCKMGNG-QMMMGPOBSA-N	-1	0	249.332	0.981	10	30		BCEERM
CC[C@H](C(=O)[O-])N(C)c1nccnc1C#N	ZINC000054376749	171236874	/nfs/dbraw/zinc/23/68/74/171236874.db2.gz	KBGLWOIRCAPLJD-MRVPVSSYSA-N	-1	0	220.232	0.648	10	30		BCEERM
CN(C(=O)c1n[nH]c(N)n1)c1cccc(C#N)c1	ZINC000061980745	172347457	/nfs/dbraw/zinc/34/74/57/172347457.db2.gz	DVOGFCUWWGJEHU-UHFFFAOYSA-N	-1	0	242.242	0.535	10	30		BCEERM
CN(c1nccnc1C#N)C(C)(C)C(=O)[O-]	ZINC000061171128	172956167	/nfs/dbraw/zinc/95/61/67/172956167.db2.gz	CEYIOZMBUOCQTE-UHFFFAOYSA-N	-1	0	220.232	0.648	10	30		BCEERM
COCC[C@@H](Nc1ccnc(C#N)c1)C(=O)[O-]	ZINC000061811471	174395217	/nfs/dbraw/zinc/39/52/17/174395217.db2.gz	RBEYUNKRDGAEBO-SNVBAGLBSA-N	-1	0	235.243	0.855	10	30		BCEERM
C[C@@H](C#N)CN(C)C(=O)N(C)[C@H](C)C(=O)[O-]	ZINC000054055553	175595751	/nfs/dbraw/zinc/59/57/51/175595751.db2.gz	AXONPSCYODBLQB-JGVFFNPUSA-N	-1	0	227.264	0.603	10	30		BCEERM
CCCc1nn(CC(=O)[O-])c(N)c1C#N	ZINC000087503607	259085302	/nfs/dbraw/zinc/08/53/02/259085302.db2.gz	WPYXAOYWFULCAS-UHFFFAOYSA-N	-1	0	208.221	0.374	10	30		BCEERM
C#CCOC(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)[O-]	ZINC000136548749	491060648	/nfs/dbraw/zinc/06/06/48/491060648.db2.gz	MVLXYYBXGPWHBX-RGOKHQFPSA-N	-1	0	220.224	0.686	10	30		BCEERM
C=CCN1CCN(c2ccc(C(=O)[O-])nn2)CC1	ZINC000229012537	518867982	/nfs/dbraw/zinc/86/79/82/518867982.db2.gz	UNWPORUAJHTZAY-UHFFFAOYSA-N	-1	0	248.286	0.483	10	30		BCEERM
CCc1ccc(S(=O)([O-])=NC(N)=O)cc1	ZINC000026481435	524009115	/nfs/dbraw/zinc/00/91/15/524009115.db2.gz	WNKXODCQOYNQBC-UHFFFAOYSA-N	-1	0	228.273	0.810	10	30		BCEERM
Cn1cc(Br)c(/C=N/[O-])n1	ZINC000242473233	527144764	/nfs/dbraw/zinc/14/47/64/527144764.db2.gz	FDFKQLHHHNRNCN-UHFFFAOYSA-N	-1	0	204.027	0.991	10	30		BCEERM
O=C([O-])C#Cc1cnn(CC(F)(F)F)c1	ZINC000072209899	527549501	/nfs/dbraw/zinc/54/95/01/527549501.db2.gz	USLMHTXNGLSUHY-UHFFFAOYSA-N	-1	0	218.134	0.882	10	30		BCEERM
C#CCN(c1nc(C(=O)[O-])co1)C1CC1	ZINC000757175678	582552252	/nfs/dbraw/zinc/55/22/52/582552252.db2.gz	GMUHFMPDSSVRNP-UHFFFAOYSA-N	-1	0	206.201	0.975	10	30		BCEERM
C#CCNc1cnc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000300775216	585619417	/nfs/dbraw/zinc/61/94/17/585619417.db2.gz	QRUMDSXGROWIKO-UHFFFAOYSA-N	-1	0	221.172	0.733	10	30		BCEERM
O=Cc1cc(O)cc(C#CC(=O)[O-])c1O	ZINC000757567515	586461955	/nfs/dbraw/zinc/46/19/55/586461955.db2.gz	JFTXICYIXNIVHE-UHFFFAOYSA-N	-1	0	206.153	0.346	10	30		BCEERM
COc1ncc(C#CC(=O)[O-])cc1C=O	ZINC000757568978	586462072	/nfs/dbraw/zinc/46/20/72/586462072.db2.gz	RMKZSKWWAGFQDX-UHFFFAOYSA-N	-1	0	205.169	0.339	10	30		BCEERM
O=Cc1cn2ccc(C#CC(=O)[O-])cc2n1	ZINC000757569325	586462729	/nfs/dbraw/zinc/46/27/29/586462729.db2.gz	SRKACOFUXUXRIZ-UHFFFAOYSA-N	-1	0	214.180	0.583	10	30		BCEERM
C#C[C@@H](NC(=O)N(C)CC(=O)[O-])C(C)C	ZINC000300997432	592527245	/nfs/dbraw/zinc/52/72/45/592527245.db2.gz	WOBHQEFRHZZDPH-MRVPVSSYSA-N	-1	0	212.249	0.370	10	30		BCEERM
C#CCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000162331359	634078232	/nfs/dbraw/zinc/07/82/32/634078232.db2.gz	IDFQNTZXLXMFAV-UHFFFAOYSA-N	-1	0	221.172	0.733	10	30		BCEERM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CC[C@@H](C)O1	ZINC000088140506	641318095	/nfs/dbraw/zinc/31/80/95/641318095.db2.gz	OAKUCMQDAXKFPB-RKDXNWHRSA-N	-1	0	227.260	0.653	10	30		BCEERM
COCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000136094234	643225546	/nfs/dbraw/zinc/22/55/46/643225546.db2.gz	GYTSWSPWDGLRPR-UHFFFAOYSA-N	-1	0	204.189	0.041	10	30		BCEERM
CC1(C)C(=NNCC(=O)[O-])[C@H]2CCO[C@@H]21	ZINC000378669741	712357037	/nfs/dbraw/zinc/35/70/37/712357037.db2.gz	JBOCVXJGZFMQMV-MUWHJKNJSA-N	-1	0	212.249	0.462	10	30		BCEERM
C=CCCC(=O)N1CCC[C@@H]1c1nnn[n-]1	ZINC000720649952	712860469	/nfs/dbraw/zinc/86/04/69/712860469.db2.gz	LCNFGXLUGJJKKF-MRVPVSSYSA-N	-1	0	221.264	0.829	10	30		BCEERM
C=CCC1(C(=O)[O-])CN(C(=O)N(C)C)C1	ZINC000722898810	711492254	/nfs/dbraw/zinc/49/22/54/711492254.db2.gz	WQJZTGLTJICOCT-UHFFFAOYSA-N	-1	0	212.249	0.631	10	30		BCEERM
CC[C@@H](C#N)C(=O)N1CCC[C@@H]1c1nnn[n-]1	ZINC000720473433	712845557	/nfs/dbraw/zinc/84/55/57/712845557.db2.gz	UJVOZNMORSFEGE-JGVFFNPUSA-N	-1	0	234.263	0.413	10	30		BCEERM
Cc1cc(Cn2cnc(C#N)n2)oc1C(=O)[O-]	ZINC000059880591	178074964	/nfs/dbraw/zinc/07/49/64/178074964.db2.gz	ITXWHBGKLCMUKA-UHFFFAOYSA-N	-1	0	232.199	0.798	10	30		BCEERM
C=CC[C@H](NC(=O)N1CCSCC1)C(=O)[O-]	ZINC000127902584	136226570	/nfs/dbraw/zinc/22/65/70/136226570.db2.gz	VJXYYHGUUGIERP-QMMMGPOBSA-N	-1	0	244.316	0.774	10	30		BCEERM
C#CC[C@H](NC(=O)N(CC)C(C)C)C(=O)[O-]	ZINC000127906661	136226582	/nfs/dbraw/zinc/22/65/82/136226582.db2.gz	YOZZCYBFOUOUFD-VIFPVBQESA-N	-1	0	226.276	0.903	10	30		BCEERM
C#CCOc1nc[n-]c(=O)c1Br	ZINC000126696933	398237024	/nfs/dbraw/zinc/23/70/24/398237024.db2.gz	VCKKTUMDKFONPR-UHFFFAOYSA-N	-1	0	229.033	0.544	10	30		BCEERM
N#Cc1c[n-]n2c1nc(C1CC1)cc2=O	ZINC000229925022	538949377	/nfs/dbraw/zinc/94/93/77/538949377.db2.gz	RDTGCNFTDZZYRC-UHFFFAOYSA-N	-1	0	200.201	0.772	10	30		BCEERM
CC1(C)NC(C)(C)/C(=N/[O-])c2no[n+]([O-])c21	ZINC000020568439	342990835	/nfs/dbraw/zinc/99/08/35/342990835.db2.gz	PVTPPAJPTCPLRR-UXBLZVDNSA-N	-1	0	226.236	0.103	10	30		BCEERM
COc1ccc2[n-]nc(C#N)c(=O)c2n1	ZINC000148329978	343390255	/nfs/dbraw/zinc/39/02/55/343390255.db2.gz	VCAFCUFWCGEDEU-UHFFFAOYSA-N	-1	0	202.173	0.611	10	30		BCEERM
C#CCN[C@H](C(=O)[O-])c1ccc(O)cc1	ZINC000051963273	166192462	/nfs/dbraw/zinc/19/24/62/166192462.db2.gz	KEYPFQBAQMEUER-JTQLQIEISA-N	-1	0	205.213	0.741	10	30		BCEERM
C#CCCNc1nc[n-]c(=O)c1Br	ZINC000165830374	344153968	/nfs/dbraw/zinc/15/39/68/344153968.db2.gz	RWXQQVXFPWILHI-UHFFFAOYSA-N	-1	0	242.076	0.968	10	30		BCEERM
C[C@H](CS)C(=O)N(CC(=O)[O-])C1CC1	ZINC000027730321	344294652	/nfs/dbraw/zinc/29/46/52/344294652.db2.gz	OQXFHYHUXJEPQI-ZCFIWIBFSA-N	-1	0	217.290	0.628	10	30		BCEERM
N/C(=N\[O-])c1nccc(C(F)(F)F)n1	ZINC000112954358	344653850	/nfs/dbraw/zinc/65/38/50/344653850.db2.gz	FHXWUYIQHKYADN-UHFFFAOYSA-N	-1	0	206.127	0.590	10	30		BCEERM
N#Cc1c(F)cc(F)cc1[C@@H](O)C(=O)[O-]	ZINC000396147304	344620938	/nfs/dbraw/zinc/62/09/38/344620938.db2.gz	YJVMMOHMLJZQJU-MRVPVSSYSA-N	-1	0	213.139	0.954	10	30		BCEERM
N#Cc1ccsc1[N-]S(N)(=O)=O	ZINC000158631459	344703248	/nfs/dbraw/zinc/70/32/48/344703248.db2.gz	ZJIJWIOSVWZNMQ-UHFFFAOYSA-N	-1	0	203.248	0.235	10	30		BCEERM
N#Cc1c(C=O)cc(CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000514275634	344911853	/nfs/dbraw/zinc/91/18/53/344911853.db2.gz	FQXALRUPBSYBNA-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
N#Cc1cc([N+](=O)[O-])c(C=O)cc1CC(=O)[O-]	ZINC000514275483	344912077	/nfs/dbraw/zinc/91/20/77/344912077.db2.gz	MVNOYVAEDATECZ-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)N)cc1	ZINC000042854236	178822015	/nfs/dbraw/zinc/82/20/15/178822015.db2.gz	YVNOGHWIGCXOKP-MRVPVSSYSA-N	-1	0	242.300	0.987	10	30		BCEERM
CC(C)(Nc1ncncc1C#N)C(=O)[O-]	ZINC000307233743	345245063	/nfs/dbraw/zinc/24/50/63/345245063.db2.gz	CUMUQAXOYGSCAI-UHFFFAOYSA-N	-1	0	206.205	0.623	10	30		BCEERM
C=C(C)[C@@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)[O-]	ZINC000001555758	187301544	/nfs/dbraw/zinc/30/15/44/187301544.db2.gz	VLSMHEGGTFMBBZ-ZKWXMUAHSA-N	-1	0	213.233	0.326	10	30	in-vitro	BCEERM
C#CCCNC(=O)NC1(C(=O)[O-])CCCC1	ZINC000019516322	187313480	/nfs/dbraw/zinc/31/34/80/187313480.db2.gz	UIBFXXJGIRTYLE-UHFFFAOYSA-N	-1	0	224.260	0.706	10	30		BCEERM
CCCO/N=C(\C#N)C(=O)[N-]OCCC	ZINC000148882281	346062916	/nfs/dbraw/zinc/06/29/16/346062916.db2.gz	NIXMHQHBVUJASQ-DHZHZOJOSA-N	-1	0	213.237	0.750	10	30		BCEERM
C=C(C)Cn1nnc(C(=O)[O-])c1-c1ccnn1C	ZINC000725257503	538064041	/nfs/dbraw/zinc/06/40/41/538064041.db2.gz	OWMAJAHPEFVAEA-UHFFFAOYSA-N	-1	0	247.258	0.953	10	30		BCEERM
Cc1nn(C)c(N(CC#N)CC#N)c1C(=O)[O-]	ZINC000020445728	180353964	/nfs/dbraw/zinc/35/39/64/180353964.db2.gz	ZBHBSFNSOIXVCZ-UHFFFAOYSA-N	-1	0	233.231	0.280	10	30		BCEERM
C[C@@H]1CC[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)O1	ZINC000159622351	350955597	/nfs/dbraw/zinc/95/55/97/350955597.db2.gz	DJUIXGWGOCGZIO-MUWHJKNJSA-N	-1	0	245.242	0.659	10	30		BCEERM
O=C([O-])C#C[C@@H]1CCCCS1(=O)=O	ZINC000167979771	351144749	/nfs/dbraw/zinc/14/47/49/351144749.db2.gz	NTYMZMVPIOOQQG-ZETCQYMHSA-N	-1	0	202.231	0.042	10	30		BCEERM
CC(C)NC(=O)c1nccnc1C(=O)[O-]	ZINC000082066607	187620050	/nfs/dbraw/zinc/62/00/50/187620050.db2.gz	YGUWFBPBECUEQL-UHFFFAOYSA-N	-1	0	209.205	0.888	10	30		BCEERM
C=CCNC(=O)c1n[n-]c(=S)s1	ZINC000307521289	352635461	/nfs/dbraw/zinc/63/54/61/352635461.db2.gz	URNBEUSHCVOOFY-UHFFFAOYSA-N	-1	0	201.276	0.743	10	30		BCEERM
CC(C)N(CC(=O)[O-])C(=O)[C@H](C)CS	ZINC000027721651	188010027	/nfs/dbraw/zinc/01/00/27/188010027.db2.gz	CXBHQULQNOOTII-SSDOTTSWSA-N	-1	0	219.306	0.874	10	30		BCEERM
CC#CC(=O)N1CCCCC[C@@H]1C(=O)[O-]	ZINC000232587615	353138826	/nfs/dbraw/zinc/13/88/26/353138826.db2.gz	SKRGGRVONJEQIH-SECBINFHSA-N	-1	0	209.245	0.866	10	30		BCEERM
C#CCNc1nnc(C)c(C)c1C(=O)[O-]	ZINC000054528414	188048961	/nfs/dbraw/zinc/04/89/61/188048961.db2.gz	MXVJJGXLIVXNPS-UHFFFAOYSA-N	-1	0	205.217	0.837	10	30		BCEERM
N#CCNC(=O)c1ccccc1C(=O)[O-]	ZINC000040605415	188293031	/nfs/dbraw/zinc/29/30/31/188293031.db2.gz	WIQVKBNENNINRV-UHFFFAOYSA-N	-1	0	204.185	0.638	10	30		BCEERM
N#Cc1ncn(-c2ccc(C(=O)[O-])o2)n1	ZINC000061842104	188302643	/nfs/dbraw/zinc/30/26/43/188302643.db2.gz	HCNHCSHSRHMYKV-UHFFFAOYSA-N	-1	0	204.145	0.430	10	30		BCEERM
N#Cc1ccc(-n2cc(C(=O)[O-])cn2)nc1	ZINC000043299381	188325120	/nfs/dbraw/zinc/32/51/20/188325120.db2.gz	UDQVRAFPSNJASE-UHFFFAOYSA-N	-1	0	214.184	0.837	10	30		BCEERM
C=C(C)CNC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000019470934	188349958	/nfs/dbraw/zinc/34/99/58/188349958.db2.gz	ZYZRTKJECJBOOZ-QMMMGPOBSA-N	-1	0	214.265	0.971	10	30		BCEERM
C#CC(=O)N[C@@H](C(=O)[O-])c1cccs1	ZINC000133856356	353434036	/nfs/dbraw/zinc/43/40/36/353434036.db2.gz	IKOLQNVTVAWEFS-MRVPVSSYSA-N	-1	0	209.226	0.623	10	30		BCEERM
C#CC[C@H](C)Nc1ncncc1C(=O)[O-]	ZINC000300976870	363248417	/nfs/dbraw/zinc/24/84/17/363248417.db2.gz	XVKXEHCYMVCEDI-ZETCQYMHSA-N	-1	0	205.217	0.999	10	30		BCEERM
N#CC(=NNc1ccccc1)c1nnn[n-]1	ZINC000075622421	181025275	/nfs/dbraw/zinc/02/52/75/181025275.db2.gz	UHVBTRROTUTGQG-XYOKQWHBSA-N	-1	0	213.204	0.539	10	30		BCEERM
N#C/C(=N\[O-])S(=O)(=O)c1ccccn1	ZINC000004692845	181025402	/nfs/dbraw/zinc/02/54/02/181025402.db2.gz	YGMWCSZEJYENBM-JXMROGBWSA-N	-1	0	211.202	0.167	10	30		BCEERM
N#CCCN(Cc1ccco1)C(=O)CC(=O)[O-]	ZINC000050917525	181037728	/nfs/dbraw/zinc/03/77/28/181037728.db2.gz	PNUCSEWXZWSBBC-UHFFFAOYSA-N	-1	0	236.227	0.997	10	30		BCEERM
N#CCNC(=O)COc1ccc(CC(=O)[O-])cc1	ZINC000019843635	181042659	/nfs/dbraw/zinc/04/26/59/181042659.db2.gz	HYXKWUAJOGRPFL-UHFFFAOYSA-N	-1	0	248.238	0.332	10	30		BCEERM
N#CCN(CC#N)c1ccc(C(=O)[O-])nn1	ZINC000037461872	181040464	/nfs/dbraw/zinc/04/04/64/181040464.db2.gz	JFGHXJXYOFWSCA-UHFFFAOYSA-N	-1	0	217.188	0.028	10	30		BCEERM
N#C[C@@H]1CCC[C@@H]1NC(=O)/C=C/C(=O)[O-]	ZINC000061889924	181060089	/nfs/dbraw/zinc/06/00/89/181060089.db2.gz	OEBASLJGMORBFH-VEVSIANRSA-N	-1	0	208.217	0.436	10	30		BCEERM
N#Cc1cc(CC(=O)[O-])cc([N+](=O)[O-])n1	ZINC000095767461	181085010	/nfs/dbraw/zinc/08/50/10/181085010.db2.gz	WCJKSYYBNGRJMU-UHFFFAOYSA-N	-1	0	207.145	0.489	10	30		BCEERM
N#Cc1cc(CC(=O)[O-])nc([N+](=O)[O-])c1	ZINC000095767313	181085094	/nfs/dbraw/zinc/08/50/94/181085094.db2.gz	DJIXVEVHHTZLLT-UHFFFAOYSA-N	-1	0	207.145	0.489	10	30		BCEERM
N#Cc1ccccc1CS(=O)(=O)CC(=O)[O-]	ZINC000019504757	181147387	/nfs/dbraw/zinc/14/73/87/181147387.db2.gz	NULHLOMFXIJHLN-UHFFFAOYSA-N	-1	0	239.252	0.558	10	30		BCEERM
N#Cc1ccccc1NCc1nnn[n-]1	ZINC000044931678	181148776	/nfs/dbraw/zinc/14/87/76/181148776.db2.gz	LZAWBFOKRNYGIM-UHFFFAOYSA-N	-1	0	200.205	0.683	10	30		BCEERM
N#Cc1ncccc1C[S@@](=O)CC(=O)[O-]	ZINC000061663632	181171019	/nfs/dbraw/zinc/17/10/19/181171019.db2.gz	DCKIZEGQVYUOOG-HNNXBMFYSA-N	-1	0	224.241	0.287	10	30		BCEERM
C=C(Br)Cn1c([O-])cc(=O)[nH]c1=O	ZINC000168410187	355794619	/nfs/dbraw/zinc/79/46/19/355794619.db2.gz	UIWUHKXHDNHDEO-UHFFFAOYSA-N	-1	0	247.048	0.151	10	30		BCEERM
CCOC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC000685948233	538890044	/nfs/dbraw/zinc/89/00/44/538890044.db2.gz	CANQZJKNXINTQE-UHFFFAOYSA-N	-1	0	226.232	0.833	10	30		BCEERM
COC(=O)c1cccc(C#CC(=O)[O-])c1	ZINC000222490013	358174022	/nfs/dbraw/zinc/17/40/22/358174022.db2.gz	CVUDRTSNIMPNKB-UHFFFAOYSA-N	-1	0	204.181	0.909	10	30		BCEERM
C=C(Cn1c(C)nc(C)cc1=O)C(=O)[O-]	ZINC000069907419	361003980	/nfs/dbraw/zinc/00/39/80/361003980.db2.gz	MJFDOBFPKGVVRD-UHFFFAOYSA-N	-1	0	208.217	0.501	10	30		BCEERM
C=C[C@H](C(=O)[O-])N1CCO[C@H](COCC)C1	ZINC000629371858	361021370	/nfs/dbraw/zinc/02/13/70/361021370.db2.gz	NMGMLTKADFLVPC-VHSXEESVSA-N	-1	0	229.276	0.363	10	30		BCEERM
CC#CCCN1C[C@H](C(=O)[O-])CCC1=O	ZINC000161373099	368140488	/nfs/dbraw/zinc/14/04/88/368140488.db2.gz	MOCXKEUDYDYCGH-SECBINFHSA-N	-1	0	209.245	0.723	10	30		BCEERM
O=C1C=C([O-])c2c(O)ccc(O)c2C1=O	ZINC000005724366	369028250	/nfs/dbraw/zinc/02/82/50/369028250.db2.gz	ZFXYVCPRQYVJDR-UHFFFAOYSA-N	-1	0	206.153	0.919	10	30		BCEERM
C#C[C@@H](C)NC(=O)c1cc(C(=O)[O-])no1	ZINC000307372325	372117154	/nfs/dbraw/zinc/11/71/54/372117154.db2.gz	QURWRPWZJBYFMX-RXMQYKEDSA-N	-1	0	208.173	0.124	10	30		BCEERM
COC(=O)c1cc(C#N)cc([N+](=O)[O-])c1[O-]	ZINC000141830266	373046984	/nfs/dbraw/zinc/04/69/84/373046984.db2.gz	PJVUTDAPVOXVQE-UHFFFAOYSA-N	-1	0	222.156	0.959	10	30		BCEERM
O=C([O-])[C@H]1CCC[C@@H]1C(=O)NCCS	ZINC000027845239	182537266	/nfs/dbraw/zinc/53/72/66/182537266.db2.gz	STSXPRQZGIYTDA-BQBZGAKWSA-N	-1	0	217.290	0.533	10	30		BCEERM
Cc1cc(C)n(CC#N)c(=O)c1C(=O)[O-]	ZINC000061450184	384442721	/nfs/dbraw/zinc/44/27/21/384442721.db2.gz	DGYQRROWVZJHIN-UHFFFAOYSA-N	-1	0	206.201	0.687	10	30		BCEERM
C=CCCCN1Cc2nncn2C[C@@H]1C(=O)[O-]	ZINC000643881229	384720519	/nfs/dbraw/zinc/72/05/19/384720519.db2.gz	HKGURQXRSCPALK-SECBINFHSA-N	-1	0	236.275	0.513	10	30		BCEERM
N#Cc1cc(CO)cc(CC(=O)[O-])c1[N+](=O)[O-]	ZINC000575391419	386958115	/nfs/dbraw/zinc/95/81/15/386958115.db2.gz	UJTSFFNNVMUOOV-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
N#Cc1ccc(CC(=O)[O-])c([N+](=O)[O-])c1C=O	ZINC000575391287	386958220	/nfs/dbraw/zinc/95/82/20/386958220.db2.gz	SKCLMMBWLFRJRL-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
N#Cc1c(CO)ccc([N+](=O)[O-])c1CC(=O)[O-]	ZINC000575391084	386960832	/nfs/dbraw/zinc/96/08/32/386960832.db2.gz	BBKOKZFBEQSHQD-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
C#CC[C@H](C)NC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000132086850	533208780	/nfs/dbraw/zinc/20/87/80/533208780.db2.gz	FUOWRWKVOBBFNL-UWVGGRQHSA-N	-1	0	238.287	0.904	10	30		BCEERM
N#Cc1c([N+](=O)[O-])ccc(C=O)c1CC(=O)[O-]	ZINC000575390787	388575377	/nfs/dbraw/zinc/57/53/77/388575377.db2.gz	ANYAZEGSFQXMOZ-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
C#CCO[N-]C(=O)[C@@H](C)NC(=O)c1ccco1	ZINC000291375014	135648562	/nfs/dbraw/zinc/64/85/62/135648562.db2.gz	ZQVGDSLJBRKHKS-MRVPVSSYSA-N	-1	0	236.227	0.079	10	30		BCEERM
C#CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000052878681	166109291	/nfs/dbraw/zinc/10/92/91/166109291.db2.gz	MCKBAUYSXYRGCJ-GFCCVEGCSA-N	-1	0	217.224	0.736	10	30		BCEERM
C#CC(=O)N(CC(=O)[O-])c1ccc(O)cc1	ZINC000037473542	166108223	/nfs/dbraw/zinc/10/82/23/166108223.db2.gz	OWFBWUIFCLYICE-UHFFFAOYSA-N	-1	0	219.196	0.443	10	30		BCEERM
C#CC(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000062823796	166109005	/nfs/dbraw/zinc/10/90/05/166109005.db2.gz	JNWCOVQBELNSTP-UHFFFAOYSA-N	-1	0	234.167	0.865	10	30		BCEERM
C#CC(=O)N(CC(=O)[O-])c1ccccc1	ZINC000037473560	166108438	/nfs/dbraw/zinc/10/84/38/166108438.db2.gz	CPARWISBYOVFGD-UHFFFAOYSA-N	-1	0	203.197	0.737	10	30		BCEERM
C#CC(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000019485193	166108773	/nfs/dbraw/zinc/10/87/73/166108773.db2.gz	QTNXNBJVAKMKIF-JTQLQIEISA-N	-1	0	203.197	0.562	10	30		BCEERM
C#CC(=O)Nc1snc(C)c1C(=O)[O-]	ZINC000037675422	166108108	/nfs/dbraw/zinc/10/81/08/166108108.db2.gz	CBJTXONDBWBEOA-UHFFFAOYSA-N	-1	0	210.214	0.721	10	30		BCEERM
C#CCNC(=O)COc1cccc(C(=O)[O-])c1	ZINC000019510427	166174447	/nfs/dbraw/zinc/17/44/47/166174447.db2.gz	HPSBUILSZOVYSH-UHFFFAOYSA-N	-1	0	233.223	0.513	10	30		BCEERM
C#CCNC(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000040520303	166175822	/nfs/dbraw/zinc/17/58/22/166175822.db2.gz	KALJNGGUSHRWEF-MRVPVSSYSA-N	-1	0	210.233	0.268	10	30		BCEERM
C#CCNC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000019477638	166181771	/nfs/dbraw/zinc/18/17/71/166181771.db2.gz	RWVFGDLYEUTNSS-LLVKDONJSA-N	-1	0	246.266	0.615	10	30		BCEERM
C#C[C@@H](O)COc1ccc(C(=O)[O-])cc1	ZINC000014443497	166214151	/nfs/dbraw/zinc/21/41/51/166214151.db2.gz	BHYJLEDUCTYKHX-SECBINFHSA-N	-1	0	206.197	0.758	10	30		BCEERM
C=CCNC(=O)CS[C@@H](C)C(=O)[O-]	ZINC000019519728	166372767	/nfs/dbraw/zinc/37/27/67/166372767.db2.gz	LKKMOTKPNZTQCC-LURJTMIESA-N	-1	0	203.263	0.495	10	30		BCEERM
C=CCNC(=O)[C@@H](CC(=O)[O-])c1ccccn1	ZINC000076615810	166385079	/nfs/dbraw/zinc/38/50/79/166385079.db2.gz	ZDBGRISFZYGKNF-VIFPVBQESA-N	-1	0	234.255	0.942	10	30		BCEERM
C=CCNC(=O)c1cnn([C@H](C)C(=O)[O-])c1	ZINC000020323531	166394991	/nfs/dbraw/zinc/39/49/91/166394991.db2.gz	QSSKUOLCABKCMG-SSDOTTSWSA-N	-1	0	223.232	0.445	10	30		BCEERM
CC(C)(C)OC(=O)N[C@H](C#N)C(=O)[O-]	ZINC000039091296	166666915	/nfs/dbraw/zinc/66/69/15/166666915.db2.gz	KLHAVRMAESBRPS-RXMQYKEDSA-N	-1	0	200.194	0.488	10	30		BCEERM
C=C[C@@H](C(=O)[O-])N1CCO[C@H](C(C)C)C1	ZINC000652420211	411239997	/nfs/dbraw/zinc/23/99/97/411239997.db2.gz	BLCOISRNQGMDNH-UWVGGRQHSA-N	-1	0	213.277	0.982	10	30		BCEERM
C=C[C@H](C(=O)[O-])N1CCO[C@@H](C(C)C)C1	ZINC000652420210	411240528	/nfs/dbraw/zinc/24/05/28/411240528.db2.gz	BLCOISRNQGMDNH-NXEZZACHSA-N	-1	0	213.277	0.982	10	30		BCEERM
CN(CCC#N)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000062923816	172662995	/nfs/dbraw/zinc/66/29/95/172662995.db2.gz	HGAZMEOBKHUTOU-LLVKDONJSA-N	-1	0	239.275	0.748	10	30		BCEERM
CN(Cc1cccc(C#N)c1)C(=O)C(=O)[O-]	ZINC000061948892	172859507	/nfs/dbraw/zinc/85/95/07/172859507.db2.gz	XEPJVLYYCRMFIJ-UHFFFAOYSA-N	-1	0	218.212	0.601	10	30		BCEERM
COC(=O)c1cc(C#N)cc(C(=O)[O-])n1	ZINC000095765977	173848811	/nfs/dbraw/zinc/84/88/11/173848811.db2.gz	XSBMTKRPTJBTQL-UHFFFAOYSA-N	-1	0	206.157	0.438	10	30		BCEERM
COCC[C@@H](Nc1ncccc1C#N)C(=O)[O-]	ZINC000052786254	174395448	/nfs/dbraw/zinc/39/54/48/174395448.db2.gz	XCXNJTRBVITHPB-SECBINFHSA-N	-1	0	235.243	0.855	10	30		BCEERM
COc1cccc(N/C(=N\[O-])c2nonc2N)c1	ZINC000045257099	175275129	/nfs/dbraw/zinc/27/51/29/175275129.db2.gz	YLOLMSSPFLTQPK-UHFFFAOYSA-N	-1	0	249.230	0.908	10	30		BCEERM
C[C@H](C(=O)[O-])[S@](=O)Cc1cccnc1C#N	ZINC000061663645	176585653	/nfs/dbraw/zinc/58/56/53/176585653.db2.gz	VXKVSUNMLUXELX-QZTNRIJFSA-N	-1	0	238.268	0.675	10	30		BCEERM
C[C@H](S)C(=O)N1CSC[C@H]1C(=O)[O-]	ZINC000005138704	177025515	/nfs/dbraw/zinc/02/55/15/177025515.db2.gz	LXQJJKNBGQICEQ-WHFBIAKZSA-N	-1	0	221.303	0.291	10	30		BCEERM
C[C@H]([C@@H](C#N)CPCCC#N)S(=O)(=O)[O-]	ZINC000223709764	177031126	/nfs/dbraw/zinc/03/11/26/177031126.db2.gz	DRDRFJMKDFIYPA-SFYZADRCSA-N	-1	0	248.244	0.995	10	30		BCEERM
N#Cc1ccc(-n2[nH]cc(CC(=O)[O-])c2=O)cc1	ZINC000536952668	323959085	/nfs/dbraw/zinc/95/90/85/323959085.db2.gz	DDXCZBGGEHIYSW-UHFFFAOYSA-N	-1	0	243.222	0.664	10	30		BCEERM
C=CCOCCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000659190709	487968497	/nfs/dbraw/zinc/96/84/97/487968497.db2.gz	CABAUKOBPDUZJN-BDAKNGLRSA-N	-1	0	227.260	0.416	10	30		BCEERM
C[C@@H](CC#N)N(C)CC(F)(F)C(=O)[O-]	ZINC000685957786	537944826	/nfs/dbraw/zinc/94/48/26/537944826.db2.gz	GAAZROIFCQEJPR-LURJTMIESA-N	-1	0	206.192	0.940	10	30		BCEERM
N#Cc1c(N)cc(=O)[n-]c1N1CCSCC1	ZINC000675054185	566416605	/nfs/dbraw/zinc/41/66/05/566416605.db2.gz	MHHJDLFMFGHNKI-UHFFFAOYSA-N	-1	0	236.300	0.794	10	30		BCEERM
C=CC[N@H+](CC(=O)[O-])C[C@H](O)C(C)C	ZINC000300921694	585702599	/nfs/dbraw/zinc/70/25/99/585702599.db2.gz	UKFFIVWGIKGIQJ-VIFPVBQESA-N	-1	0	201.266	0.576	10	30		BCEERM
C=CC[N@H+](CC(=O)[O-])C[C@@H](O)C(C)C	ZINC000300921688	585702744	/nfs/dbraw/zinc/70/27/44/585702744.db2.gz	UKFFIVWGIKGIQJ-SECBINFHSA-N	-1	0	201.266	0.576	10	30		BCEERM
O=Cc1cc(C#CC(=O)[O-])c2c(c1)OCCO2	ZINC000757566010	586305362	/nfs/dbraw/zinc/30/53/62/586305362.db2.gz	DGCOWOBLPNHNMA-UHFFFAOYSA-N	-1	0	232.191	0.706	10	30		BCEERM
O=Cc1ccc(C#CC(=O)[O-])c([N+](=O)[O-])c1	ZINC000757569677	586376295	/nfs/dbraw/zinc/37/62/95/586376295.db2.gz	VOPQJKWXUILYIO-UHFFFAOYSA-N	-1	0	219.152	0.843	10	30		BCEERM
O=Cc1cc(C#CC(=O)[O-])c([N+](=O)[O-])s1	ZINC000757569680	586376597	/nfs/dbraw/zinc/37/65/97/586376597.db2.gz	VTBPLSHHDVVUEF-UHFFFAOYSA-N	-1	0	225.181	0.905	10	30		BCEERM
C#C[C@H](CO)Nc1cc(C)cc(C(=O)[O-])n1	ZINC000757175527	586432928	/nfs/dbraw/zinc/43/29/28/586432928.db2.gz	ABZHAXFEDHPJGY-MRVPVSSYSA-N	-1	0	220.228	0.494	10	30		BCEERM
C#CCNc1ncc(Cl)c(C(=O)[O-])n1	ZINC000757175741	586432957	/nfs/dbraw/zinc/43/29/57/586432957.db2.gz	JNBCGZCLYBUBBM-UHFFFAOYSA-N	-1	0	211.608	0.873	10	30		BCEERM
COc1cc(C=O)cc(C#CC(=O)[O-])c1O	ZINC000757566464	586461816	/nfs/dbraw/zinc/46/18/16/586461816.db2.gz	FSONNIKJIVCCDR-UHFFFAOYSA-N	-1	0	220.180	0.649	10	30		BCEERM
Cc1cc(C#CC(=O)[O-])c(O)c(C=O)c1	ZINC000757568951	586461977	/nfs/dbraw/zinc/46/19/77/586461977.db2.gz	REZXPZPLXYZYNL-UHFFFAOYSA-N	-1	0	204.181	0.949	10	30		BCEERM
O=Cc1ccc2c(c1C#CC(=O)[O-])OCO2	ZINC000757569017	586462763	/nfs/dbraw/zinc/46/27/63/586462763.db2.gz	RXIALHIQFNJGOR-UHFFFAOYSA-N	-1	0	218.164	0.664	10	30		BCEERM
CC#CCCNC(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000125923866	590197796	/nfs/dbraw/zinc/19/77/96/590197796.db2.gz	DHJXVUCKQLWYGA-VIFPVBQESA-N	-1	0	226.276	0.762	10	30		BCEERM
C#CCN(CC)c1cncc(C(=O)[O-])n1	ZINC000130207080	591447768	/nfs/dbraw/zinc/44/77/68/591447768.db2.gz	NTQADNHBFFSTLG-UHFFFAOYSA-N	-1	0	205.217	0.634	10	30		BCEERM
C#CCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000165893730	640598499	/nfs/dbraw/zinc/59/84/99/640598499.db2.gz	OSLPGYJVHQPBBN-UHFFFAOYSA-N	-1	0	221.172	0.733	10	30		BCEERM
C#CCCNc1nc(C)cc(C(=O)[O-])n1	ZINC000231951781	641220021	/nfs/dbraw/zinc/22/00/21/641220021.db2.gz	DPVPGYQERHBVRN-UHFFFAOYSA-N	-1	0	205.217	0.918	10	30		BCEERM
C=CCN(CC(=O)[O-])C(=O)[C@H]1OCC[C@H]1C	ZINC000122690716	645748203	/nfs/dbraw/zinc/74/82/03/645748203.db2.gz	DHWTXJHRJOHQTP-SCZZXKLOSA-N	-1	0	227.260	0.511	10	30		BCEERM
C#CC[C@@H](C)Nc1nccnc1C(=O)[O-]	ZINC000229026003	711645632	/nfs/dbraw/zinc/64/56/32/711645632.db2.gz	ACVWUCTXZXMTPS-SSDOTTSWSA-N	-1	0	205.217	0.999	10	30		BCEERM
CC[C@H](C#N)C(=O)N1CCC[C@@H]1c1nnn[n-]1	ZINC000720473432	712845328	/nfs/dbraw/zinc/84/53/28/712845328.db2.gz	UJVOZNMORSFEGE-HTQZYQBOSA-N	-1	0	234.263	0.413	10	30		BCEERM
C=CCOCCNCC(F)(F)C(=O)[O-]	ZINC000685956905	538902454	/nfs/dbraw/zinc/90/24/54/538902454.db2.gz	JGMIOABXOCNGTQ-UHFFFAOYSA-N	-1	0	209.192	0.499	10	30		BCEERM
C#C[C@H](C)NC(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000306642399	361762784	/nfs/dbraw/zinc/76/27/84/361762784.db2.gz	SUZAGOWADYUANF-LURJTMIESA-N	-1	0	206.201	0.464	10	30		BCEERM
CS(=O)(=O)C(C#N)=C([O-])c1ccncc1	ZINC000107830866	539027172	/nfs/dbraw/zinc/02/71/72/539027172.db2.gz	USHPYCBNWURSFK-MRVPVSSYSA-N	-1	0	224.241	0.201	10	30		BCEERM
C#C[C@@H](CC)Nc1cnc(C(=O)[O-])cn1	ZINC000229995549	342862698	/nfs/dbraw/zinc/86/26/98/342862698.db2.gz	AEMHDTFOIWJUMP-ZETCQYMHSA-N	-1	0	205.217	0.999	10	30		BCEERM
C#C[C@H](CC)Nc1cncc(C(=O)[O-])n1	ZINC000229996202	342862775	/nfs/dbraw/zinc/86/27/75/342862775.db2.gz	NIXDLNBPVXJSMN-SSDOTTSWSA-N	-1	0	205.217	0.999	10	30		BCEERM
C#CCNC(=O)N[C@]1(C(=O)[O-])CCCC[C@@H]1C	ZINC000019430158	166181709	/nfs/dbraw/zinc/18/17/09/166181709.db2.gz	COMZJHJTFUCBGT-JOYOIKCWSA-N	-1	0	238.287	0.952	10	30		BCEERM
C=C[C@]1(C)CC[C@@H]([C@@H](CO)C(=O)[O-])O1	ZINC000040956438	187230929	/nfs/dbraw/zinc/23/09/29/187230929.db2.gz	WLRVIKRNZCNFRS-KHQFGBGNSA-N	-1	0	200.234	0.803	10	30		BCEERM
N#CCCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000037494363	187252269	/nfs/dbraw/zinc/25/22/69/187252269.db2.gz	ANKAONXKVJIVKX-RKDXNWHRSA-N	-1	0	222.244	0.683	10	30		BCEERM
N#CCCNC(=O)COc1ccccc1C(=O)[O-]	ZINC000019399543	187251603	/nfs/dbraw/zinc/25/16/03/187251603.db2.gz	XHHGHBWLFSQSLB-UHFFFAOYSA-N	-1	0	248.238	0.793	10	30		BCEERM
S=C1C=CNN[C@]2([S-])ON=CN12	ZINC000039124967	187263750	/nfs/dbraw/zinc/26/37/50/187263750.db2.gz	UPCLIOWBCHCWSB-RXMQYKEDSA-N	-1	0	202.264	0.163	10	30		BCEERM
C#CCN[C@@](C)(C(=O)[O-])c1ccc(O)cc1	ZINC000051963640	166191064	/nfs/dbraw/zinc/19/10/64/166191064.db2.gz	MQSUTNXUWBOKAD-GFCCVEGCSA-N	-1	0	219.240	0.915	10	30		BCEERM
N#Cc1c(CO)cc([N+](=O)[O-])cc1CC(=O)[O-]	ZINC000514275598	343650637	/nfs/dbraw/zinc/65/06/37/343650637.db2.gz	BJLCLQLDEFKGKA-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
N#Cc1c(F)ccc(CO)c1CC(=O)[O-]	ZINC000396145220	344618633	/nfs/dbraw/zinc/61/86/33/344618633.db2.gz	RVQHKXFCOAUEHY-UHFFFAOYSA-N	-1	0	209.176	0.817	10	30		BCEERM
N#Cc1c(CO)ccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000396158734	344631886	/nfs/dbraw/zinc/63/18/86/344631886.db2.gz	VSBMSDLSZMNEBR-UHFFFAOYSA-N	-1	0	222.156	0.657	10	30		BCEERM
N#Cc1ccc(C(=O)[O-])c([N+](=O)[O-])c1C=O	ZINC000396163149	344634710	/nfs/dbraw/zinc/63/47/10/344634710.db2.gz	RCAPLBZBGBWXNE-UHFFFAOYSA-N	-1	0	220.140	0.977	10	30		BCEERM
CC(=NNC(N)=S)c1ccccc1O	ZINC000252447543	345519067	/nfs/dbraw/zinc/51/90/67/345519067.db2.gz	LXYOGTSBYWAKMS-UHFFFAOYSA-N	-1	0	209.274	0.949	10	30		BCEERM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)CS	ZINC000027727164	187319997	/nfs/dbraw/zinc/31/99/97/187319997.db2.gz	KHPDFHQQEHFYPM-SSDOTTSWSA-N	-1	0	215.274	0.099	10	30		BCEERM
N#Cc1cnc(CC(F)(F)F)[n-]c1=O	ZINC000168311937	346733760	/nfs/dbraw/zinc/73/37/60/346733760.db2.gz	XFTOVWCOVSWOOX-UHFFFAOYSA-N	-1	0	203.123	0.746	10	30		BCEERM
C#CCNC(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000199357211	349194419	/nfs/dbraw/zinc/19/44/19/349194419.db2.gz	XPWVMXPJYOQXQO-UHFFFAOYSA-N	-1	0	238.268	0.308	10	30		BCEERM
N#Cc1sc(N2CCOCC2)nc1[O-]	ZINC000725254866	538048645	/nfs/dbraw/zinc/04/86/45/538048645.db2.gz	HRNGCLJWALGMRE-UHFFFAOYSA-N	-1	0	211.246	0.557	10	30		BCEERM
Cn1nccc1-c1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000725257542	538065111	/nfs/dbraw/zinc/06/51/11/538065111.db2.gz	QAKWPABREZBHPC-UHFFFAOYSA-N	-1	0	240.226	0.295	10	30		BCEERM
CC(C)[C@H](C(=O)[O-])N1CCO[C@@H](C#N)C1	ZINC000226162897	350404094	/nfs/dbraw/zinc/40/40/94/350404094.db2.gz	CPYSQFDRDXHGFI-DTWKUNHWSA-N	-1	0	212.249	0.320	10	30		BCEERM
C=C(C)CN(CC)C(=O)CN(CC)CC(=O)[O-]	ZINC000038017900	188007418	/nfs/dbraw/zinc/00/74/18/188007418.db2.gz	SQKITQRBYQJWGD-UHFFFAOYSA-N	-1	0	242.319	0.818	10	30		BCEERM
C=CCCC(=O)N1CC[NH+]([C@H](C)C(=O)[O-])CC1	ZINC000054400148	188048182	/nfs/dbraw/zinc/04/81/82/188048182.db2.gz	OLJPTFSBUCOMCL-SNVBAGLBSA-N	-1	0	240.303	0.570	10	30		BCEERM
C#Cc1cccc(NC(=O)c2n[nH]c(N)n2)c1	ZINC000055164461	188048454	/nfs/dbraw/zinc/04/84/54/188048454.db2.gz	YDQZCWFGTYIKMC-UHFFFAOYSA-N	-1	0	227.227	0.621	10	30		BCEERM
C=CCCC(=O)N1CC[NH+]([C@@H](C)C(=O)[O-])CC1	ZINC000054400146	188048579	/nfs/dbraw/zinc/04/85/79/188048579.db2.gz	OLJPTFSBUCOMCL-JTQLQIEISA-N	-1	0	240.303	0.570	10	30		BCEERM
C#CCn1c(C)cc(C)c(C(=O)[O-])c1=O	ZINC000061450103	188049318	/nfs/dbraw/zinc/04/93/18/188049318.db2.gz	LQFWLZKKSJTUCD-UHFFFAOYSA-N	-1	0	205.213	0.797	10	30		BCEERM
N#CCS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000035295919	188277896	/nfs/dbraw/zinc/27/78/96/188277896.db2.gz	ILUMCLDHDDPWPG-UHFFFAOYSA-N	-1	0	239.252	0.611	10	30		BCEERM
N#Cc1cccc(CNC(=O)CC(=O)[O-])c1	ZINC000050913904	188330327	/nfs/dbraw/zinc/33/03/27/188330327.db2.gz	UVHHTQAYDKYZGY-UHFFFAOYSA-N	-1	0	218.212	0.649	10	30		BCEERM
C=C[C@@H](C)N1CC[NH+]([C@H](C)C(=O)[O-])CC1	ZINC000052143789	188332913	/nfs/dbraw/zinc/33/29/13/188332913.db2.gz	BVUPLJDXJCBBIK-NXEZZACHSA-N	-1	0	212.293	0.652	10	30		BCEERM
C=CCCC(=O)N1CSC[C@@H]1C(=O)[O-]	ZINC000054399618	188354045	/nfs/dbraw/zinc/35/40/45/188354045.db2.gz	PSYINNSPVNZSJG-SSDOTTSWSA-N	-1	0	215.274	0.939	10	30		BCEERM
N#Cc1ncn(-c2cccc(C(=O)[O-])n2)n1	ZINC000061842103	188360913	/nfs/dbraw/zinc/36/09/13/188360913.db2.gz	YDSHWJDCEISPPG-UHFFFAOYSA-N	-1	0	215.172	0.232	10	30		BCEERM
N#CCn1nc(C(=O)[O-])c2ccccc2c1=O	ZINC000003270468	181052051	/nfs/dbraw/zinc/05/20/51/181052051.db2.gz	CFVOJDZGXCGPSG-UHFFFAOYSA-N	-1	0	229.195	0.618	10	30		BCEERM
N#Cc1c(N)c(Br)c(N)[n-]c1=O	ZINC000082295758	181077141	/nfs/dbraw/zinc/07/71/41/181077141.db2.gz	GDBHOLQEYMZHJK-UHFFFAOYSA-N	-1	0	229.037	0.173	10	30		BCEERM
Cn1c(Cl)cnc1C[C@H](S)C(=O)[O-]	ZINC000301027341	363340488	/nfs/dbraw/zinc/34/04/88/363340488.db2.gz	PXAHZEJEYJNGMZ-BYPYZUCNSA-N	-1	0	220.681	0.999	10	30		BCEERM
N#Cc1ccccc1N1C[C@@H](C(=O)[O-])CC1=O	ZINC000008014824	181147948	/nfs/dbraw/zinc/14/79/48/181147948.db2.gz	GSPFSKPGBBIVTM-VIFPVBQESA-N	-1	0	230.223	0.996	10	30		BCEERM
N#Cc1ccnc(N2CC(C(=O)[O-])C2)c1	ZINC000070569446	181154967	/nfs/dbraw/zinc/15/49/67/181154967.db2.gz	NOKVKBVUNHHPRE-UHFFFAOYSA-N	-1	0	203.201	0.474	10	30		BCEERM
N#Cc1nc(SC2=[NH+]CCN2)[n-]c1C#N	ZINC000196289974	181169683	/nfs/dbraw/zinc/16/96/83/181169683.db2.gz	WFGJHAUZHMJBEK-UHFFFAOYSA-N	-1	0	218.245	0.204	10	30		BCEERM
N#Cc1nccnc1N(CC(=O)[O-])C1CC1	ZINC000054376658	181172466	/nfs/dbraw/zinc/17/24/66/181172466.db2.gz	QMDKPCWWENFKHT-UHFFFAOYSA-N	-1	0	218.216	0.402	10	30		BCEERM
CC(C)(C)OC(=O)N[C@@H](C#N)C(=O)[O-]	ZINC000039091295	355125094	/nfs/dbraw/zinc/12/50/94/355125094.db2.gz	KLHAVRMAESBRPS-YFKPBYRVSA-N	-1	0	200.194	0.488	10	30		BCEERM
C=C(Br)Cn1c([O-])cc(=O)[nH]c1=O	ZINC000168410841	355794494	/nfs/dbraw/zinc/79/44/94/355794494.db2.gz	GOPNBOCWYYCOSW-UHFFFAOYSA-N	-1	0	247.048	0.364	10	30		BCEERM
C#CC(=O)NCC1(C(=O)[O-])CCCCC1	ZINC000168167222	356492393	/nfs/dbraw/zinc/49/23/93/356492393.db2.gz	WKHVYAGXQXDSGT-UHFFFAOYSA-N	-1	0	209.245	0.771	10	30		BCEERM
CN(CC(=O)[O-])C(=O)NCc1ccc(C#N)cc1	ZINC000051354792	357985792	/nfs/dbraw/zinc/98/57/92/357985792.db2.gz	TZOGOCYFKOENFI-UHFFFAOYSA-N	-1	0	247.254	0.784	10	30		BCEERM
O=C([O-])C#Cc1ncncc1Br	ZINC000306295411	359533916	/nfs/dbraw/zinc/53/39/16/359533916.db2.gz	INGJTDFCFCIMMU-UHFFFAOYSA-N	-1	0	227.017	0.675	10	30		BCEERM
Cc1cc(C#N)cc(NC(=O)C(=O)[O-])c1	ZINC000306453459	360045201	/nfs/dbraw/zinc/04/52/01/360045201.db2.gz	JKAOZYJOJUIMAM-UHFFFAOYSA-N	-1	0	204.185	0.890	10	30		BCEERM
C#C[C@@H](CC)Nc1nnccc1C(=O)[O-]	ZINC000230023132	371636923	/nfs/dbraw/zinc/63/69/23/371636923.db2.gz	QAFNIYNXGOTAFY-ZETCQYMHSA-N	-1	0	205.217	0.999	10	30		BCEERM
N#Cc1c(F)cccc1S(=O)(=O)[O-]	ZINC000132547510	371859449	/nfs/dbraw/zinc/85/94/49/371859449.db2.gz	HYCWHOGBYYGQBP-UHFFFAOYSA-N	-1	0	201.178	0.944	10	30		BCEERM
O=C([O-])[C@@H](CS)NC(=O)c1ccccc1	ZINC000013430898	182324412	/nfs/dbraw/zinc/32/44/12/182324412.db2.gz	LJWSDBHOEIBWJY-MRVPVSSYSA-N	-1	0	225.269	0.799	10	30		BCEERM
NS(=O)(=O)c1cccc(/C=N\[O-])c1	ZINC000039054575	384101506	/nfs/dbraw/zinc/10/15/06/384101506.db2.gz	QWZAZGPSBMQBBL-UITAMQMPSA-N	-1	0	200.219	0.142	10	30		BCEERM
O=C([O-])c1ccc(/N=C\[C@@H](O)CO)cc1	ZINC000100236673	384626426	/nfs/dbraw/zinc/62/64/26/384626426.db2.gz	HTJYHXNYTWHDJQ-QQCYMQAYSA-N	-1	0	209.201	0.440	10	30		BCEERM
O=C(c1ccco1)N(O)CCC[P@@](=O)([O-])O	ZINC000096273655	384930020	/nfs/dbraw/zinc/93/00/20/384930020.db2.gz	NPCRUYKFLMALTE-UHFFFAOYSA-N	-1	0	249.159	0.679	10	30		BCEERM
CC/N=C1/S[C@@H](CC(=O)[O-])C(=O)N1CC	ZINC000011666880	385483737	/nfs/dbraw/zinc/48/37/37/385483737.db2.gz	GNIQDUCUSLHMDD-LLZWLHJQSA-N	-1	0	230.289	0.801	10	30		BCEERM
N#Cc1cc(F)c([C@H](O)C(=O)[O-])cc1F	ZINC000260009264	385644613	/nfs/dbraw/zinc/64/46/13/385644613.db2.gz	CQVQUOMQCIHHLW-QMMMGPOBSA-N	-1	0	213.139	0.954	10	30		BCEERM
C[C@@H](Sc1nccc(C#N)n1)C(=O)[O-]	ZINC000231923785	385885984	/nfs/dbraw/zinc/88/59/84/385885984.db2.gz	UAEQOWJYXJAZLF-RXMQYKEDSA-N	-1	0	209.230	0.913	10	30		BCEERM
N#Cc1ccc(C=O)c(CC(=O)[O-])c1[N+](=O)[O-]	ZINC000575391228	386958196	/nfs/dbraw/zinc/95/81/96/386958196.db2.gz	PSXYVIWTXKNULO-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
N#Cc1c(CO)ccc(CC(=O)[O-])c1[N+](=O)[O-]	ZINC000575391078	386960126	/nfs/dbraw/zinc/96/01/26/386960126.db2.gz	AIGFFNYCLLHPDL-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
N#Cc1c([N+](=O)[O-])ccc(CC(=O)[O-])c1CO	ZINC000575391090	386960796	/nfs/dbraw/zinc/96/07/96/386960796.db2.gz	BYKNZCPKVSXTMS-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
COC(=O)Cc1cc([N+](=O)[O-])cc([O-])c1C#N	ZINC000575391748	386964774	/nfs/dbraw/zinc/96/47/74/386964774.db2.gz	NSAGTWFZTKGOBG-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
COC(=O)Cc1c([O-])ccc([N+](=O)[O-])c1C#N	ZINC000575391779	386964921	/nfs/dbraw/zinc/96/49/21/386964921.db2.gz	OQGCSULYSXOPPM-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
CS(=O)(=O)[N-]c1ccc(C#N)cc1[N+](=O)[O-]	ZINC000035962996	387237839	/nfs/dbraw/zinc/23/78/39/387237839.db2.gz	WKBFAFNFZIJZPQ-UHFFFAOYSA-N	-1	0	241.228	0.838	10	30		BCEERM
O=C([O-])CN1CCCC[C@@H](S)C1=O	ZINC000575449550	388731151	/nfs/dbraw/zinc/73/11/51/388731151.db2.gz	YBIMICXOLUAKMK-ZCFIWIBFSA-N	-1	0	203.263	0.382	10	30		BCEERM
C#C[C@@H](NC(=O)NCCC(=O)[O-])C(C)(C)C	ZINC000263361277	135349295	/nfs/dbraw/zinc/34/92/95/135349295.db2.gz	KMMOEPOIUVKDMD-MRVPVSSYSA-N	-1	0	226.276	0.808	10	30		BCEERM
C=CC[C@H](NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000274924028	135366861	/nfs/dbraw/zinc/36/68/61/135366861.db2.gz	NNODETUTDLNARU-QMMMGPOBSA-N	-1	0	246.288	0.239	10	30		BCEERM
N#CC1=C([O-])NC(=O)NC12CCCCC2	ZINC000584623286	398078993	/nfs/dbraw/zinc/07/89/93/398078993.db2.gz	YWAPPVZJLCUAMB-SSDOTTSWSA-N	-1	0	207.233	0.668	10	30		BCEERM
C=C[C@@H](C(=O)[O-])N(C)CCOCC1CC1	ZINC000301049867	487571649	/nfs/dbraw/zinc/57/16/49/487571649.db2.gz	SACIGYZUKHLYCM-JTQLQIEISA-N	-1	0	213.277	0.984	10	30		BCEERM
C#CC(=O)N[C@](C)(C(=O)[O-])c1ccccc1	ZINC000052878682	166109519	/nfs/dbraw/zinc/10/95/19/166109519.db2.gz	MCKBAUYSXYRGCJ-LBPRGKRZSA-N	-1	0	217.224	0.736	10	30		BCEERM
C#CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000049842057	166107896	/nfs/dbraw/zinc/10/78/96/166107896.db2.gz	LJDNDSQWDXAFTN-VIFPVBQESA-N	-1	0	209.245	0.723	10	30		BCEERM
C#CCNC(=O)NC1(C(=O)[O-])CCC(C)CC1	ZINC000019503217	166177213	/nfs/dbraw/zinc/17/72/13/166177213.db2.gz	BMHKHBRABKMHQW-UHFFFAOYSA-N	-1	0	238.287	0.952	10	30		BCEERM
C#CCNC(=O)Nc1ccccc1OCC(=O)[O-]	ZINC000104307642	166181391	/nfs/dbraw/zinc/18/13/91/166181391.db2.gz	ZEBHAZYGVBHYFI-UHFFFAOYSA-N	-1	0	248.238	0.905	10	30		BCEERM
C#CCN[C@]1(C(=O)[O-])COc2cc(O)ccc21	ZINC000051963666	166193896	/nfs/dbraw/zinc/19/38/96/166193896.db2.gz	XLWSJRUNSQEXCD-GFCCVEGCSA-N	-1	0	233.223	0.287	10	30		BCEERM
C=CCCO[C@@H](C)C(=O)N[C@H](CF)C(=O)[O-]	ZINC000262980966	166273508	/nfs/dbraw/zinc/27/35/08/166273508.db2.gz	PILXBRCTTSIJRT-JGVFFNPUSA-N	-1	0	233.239	0.507	10	30		BCEERM
C=CCNC(=O)CCn1cc(C(=O)[O-])cn1	ZINC000020328052	166364912	/nfs/dbraw/zinc/36/49/12/166364912.db2.gz	LFNQSQMRWBVIKK-UHFFFAOYSA-N	-1	0	223.232	0.274	10	30		BCEERM
C=CCNC(=O)N1CSC[C@@H]1C(=O)[O-]	ZINC000040521285	166376201	/nfs/dbraw/zinc/37/62/01/166376201.db2.gz	CVNAZTIZESRVAQ-ZCFIWIBFSA-N	-1	0	216.262	0.342	10	30		BCEERM
C=CCNC(=O)N[C@@](C)(CC)C(=O)[O-]	ZINC000019476849	166381090	/nfs/dbraw/zinc/38/10/90/166381090.db2.gz	JWINWPPIBGUJJL-VIFPVBQESA-N	-1	0	200.238	0.725	10	30		BCEERM
C=CCNC(=O)[C@@H](CC(=O)[O-])c1cccnc1	ZINC000076615817	166384812	/nfs/dbraw/zinc/38/48/12/166384812.db2.gz	REBVQUFEZQKSCU-JTQLQIEISA-N	-1	0	234.255	0.942	10	30		BCEERM
C=CCNC(=O)c1nccnc1C(=O)[O-]	ZINC000040803545	166394965	/nfs/dbraw/zinc/39/49/65/166394965.db2.gz	YUYKILRYAQYNEW-UHFFFAOYSA-N	-1	0	207.189	0.091	10	30		BCEERM
CC(C)(C)C(=O)N[C@@H](CS)C(=O)[O-]	ZINC000000596095	166531556	/nfs/dbraw/zinc/53/15/56/166531556.db2.gz	NKIKSSZMMDDQRL-YFKPBYRVSA-N	-1	0	205.279	0.532	10	30		BCEERM
CC[C@@H](C(=O)[O-])S(=O)(=O)CCCC#N	ZINC000082692692	170669687	/nfs/dbraw/zinc/66/96/87/170669687.db2.gz	ISUMHAZFEHTYGL-ZETCQYMHSA-N	-1	0	219.262	0.568	10	30		BCEERM
CN(C(=O)COCC(=O)[O-])c1ccccc1C#N	ZINC000077419654	172311573	/nfs/dbraw/zinc/31/15/73/172311573.db2.gz	FYBLYOXGIPCKFS-UHFFFAOYSA-N	-1	0	248.238	0.622	10	30		BCEERM
COCCN(CCC#N)C(=O)NCCC(=O)[O-]	ZINC000071232373	174289316	/nfs/dbraw/zinc/28/93/16/174289316.db2.gz	UFLOONZUAKJMHW-UHFFFAOYSA-N	-1	0	243.263	0.033	10	30		BCEERM
C[C@@H](O)[C@H](NC(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000019266217	175995757	/nfs/dbraw/zinc/99/57/57/175995757.db2.gz	QOHNTTXXZQTVJX-XCBNKYQSSA-N	-1	0	248.238	0.122	10	30		BCEERM
CC1=C(N)C(C(=O)CC#N)C([O-])=C(C)C1=O	ZINC000100441604	176041507	/nfs/dbraw/zinc/04/15/07/176041507.db2.gz	YJDOQFGQCLRVPX-RITPCOANSA-N	-1	0	220.228	0.106	10	30	in-vitro	BCEERM
C[C@H](O)[C@@H](NC(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000019266215	177007308	/nfs/dbraw/zinc/00/73/08/177007308.db2.gz	QOHNTTXXZQTVJX-OIBJUYFYSA-N	-1	0	248.238	0.122	10	30		BCEERM
C[C@H](Oc1ccc(N)cc1C#N)C(=O)[O-]	ZINC000043623584	177022895	/nfs/dbraw/zinc/02/28/95/177022895.db2.gz	ATPBRROFWZPWFZ-LURJTMIESA-N	-1	0	206.201	0.992	10	30		BCEERM
C[C@H]([C@H](C#N)CPCCC#N)S(=O)(=O)[O-]	ZINC000223709662	177030822	/nfs/dbraw/zinc/03/08/22/177030822.db2.gz	DRDRFJMKDFIYPA-HTQZYQBOSA-N	-1	0	248.244	0.995	10	30		BCEERM
N#Cc1ccc(C(=O)[O-])c(-n2cnnn2)c1	ZINC000521401652	268207422	/nfs/dbraw/zinc/20/74/22/268207422.db2.gz	LRPLNNUCYBMIGG-UHFFFAOYSA-N	-1	0	215.172	0.232	10	30		BCEERM
C[C@H](C#N)NC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000136685871	325465524	/nfs/dbraw/zinc/46/55/24/325465524.db2.gz	IRDDSSRUYPOXQD-ZCFIWIBFSA-N	-1	0	235.199	0.942	10	30		BCEERM
Cc1nc(NC(=O)CCC(=O)[O-])ccc1C#N	ZINC000584635739	487974814	/nfs/dbraw/zinc/97/48/14/487974814.db2.gz	MQHLXJUBZAMWEW-UHFFFAOYSA-N	-1	0	233.227	1.065	10	30		BCEERM
CCC[C@@H](C(=O)[O-])N(OC(C)=O)C(C)=O	ZINC000057347722	520601842	/nfs/dbraw/zinc/60/18/42/520601842.db2.gz	HWJJWDUFYFMJBG-QMMMGPOBSA-N	-1	0	217.221	0.566	10	30		BCEERM
NC(=O)N=S(=O)([O-])c1cccc([N+](=O)[O-])c1	ZINC000026481487	526816646	/nfs/dbraw/zinc/81/66/46/526816646.db2.gz	XXZVBGIYLSTPHA-UHFFFAOYSA-N	-1	0	245.216	0.156	10	30		BCEERM
C[C@@H](S)C(=O)N1CSC[C@@H]1C(=O)[O-]	ZINC000039339758	581095475	/nfs/dbraw/zinc/09/54/75/581095475.db2.gz	LXQJJKNBGQICEQ-RFZPGFLSSA-N	-1	0	221.303	0.291	10	30		BCEERM
C#C[C@@H]1CCCN1c1nccc(C(=O)[O-])n1	ZINC000757176752	586433607	/nfs/dbraw/zinc/43/36/07/586433607.db2.gz	AZAUOOLSONWEMW-MRVPVSSYSA-N	-1	0	217.228	0.777	10	30		BCEERM
O=Cc1cc(C#CC(=O)[O-])cc(F)c1O	ZINC000757568216	586461633	/nfs/dbraw/zinc/46/16/33/586461633.db2.gz	LOMKGVXGVCKPQQ-UHFFFAOYSA-N	-1	0	208.144	0.780	10	30		BCEERM
COc1ccc(CN=Nc2nnn[n-]2)cc1	ZINC000250590533	635487232	/nfs/dbraw/zinc/48/72/32/635487232.db2.gz	WYOYPACODYUFPT-UHFFFAOYSA-N	-1	0	218.220	0.654	10	30		BCEERM
C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C(=O)[O-]	ZINC000310571725	632760533	/nfs/dbraw/zinc/76/05/33/632760533.db2.gz	ZJLOALFYSSHEDE-HTQZYQBOSA-N	-1	0	232.243	0.505	10	30		BCEERM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CC[C@@H](C)O1	ZINC000088140508	641318251	/nfs/dbraw/zinc/31/82/51/641318251.db2.gz	OAKUCMQDAXKFPB-BDAKNGLRSA-N	-1	0	227.260	0.653	10	30		BCEERM
C=CCCC(=O)N1CCC[C@H]1c1nnn[n-]1	ZINC000720649954	712861238	/nfs/dbraw/zinc/86/12/38/712861238.db2.gz	LCNFGXLUGJJKKF-QMMMGPOBSA-N	-1	0	221.264	0.829	10	30		BCEERM
Cc1ccc(C(=O)Nc2nnn[n-]2)nc1C	ZINC000028262739	178351653	/nfs/dbraw/zinc/35/16/53/178351653.db2.gz	JONZLRHNKWFDEF-UHFFFAOYSA-N	-1	0	218.220	0.848	10	30		BCEERM
C#CCNC(=O)[C@@H](C)Oc1ccccc1C(=O)[O-]	ZINC000020367651	166182206	/nfs/dbraw/zinc/18/22/06/166182206.db2.gz	XMUOWWAEZDAODK-SECBINFHSA-N	-1	0	247.250	0.902	10	30		BCEERM
N#Cc1cccc(-n2nncc2C(=O)[O-])c1	ZINC000036917476	187250947	/nfs/dbraw/zinc/25/09/47/187250947.db2.gz	UNBUDCANITUJFT-UHFFFAOYSA-N	-1	0	214.184	0.837	10	30		BCEERM
N#CCN(CC#N)C(=O)[C@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000019391561	187251942	/nfs/dbraw/zinc/25/19/42/187251942.db2.gz	JYFAOEPWDJQNRM-VHSXEESVSA-N	-1	0	247.254	0.529	10	30		BCEERM
N#CCN(CC#N)C(=O)c1ccc(C(=O)[O-])s1	ZINC000035347930	187258404	/nfs/dbraw/zinc/25/84/04/187258404.db2.gz	WAHWUWTVODROMV-UHFFFAOYSA-N	-1	0	249.251	0.936	10	30		BCEERM
C#CCNS(=O)(=O)c1cc(N)c(F)cc1F	ZINC000040315959	187354258	/nfs/dbraw/zinc/35/42/58/187354258.db2.gz	MMSARUXBFUOPBQ-UHFFFAOYSA-N	-1	0	246.238	0.459	10	30		BCEERM
C=C(Cl)CN1C[C@@H](C(=O)[O-])CC1=O	ZINC000135087532	343932606	/nfs/dbraw/zinc/93/26/06/343932606.db2.gz	HEYZKPUYWHRVIX-LURJTMIESA-N	-1	0	203.625	0.672	10	30		BCEERM
C[C@@H](CS)C(=O)N(CC(=O)[O-])C1CC1	ZINC000027730314	344294462	/nfs/dbraw/zinc/29/44/62/344294462.db2.gz	OQXFHYHUXJEPQI-LURJTMIESA-N	-1	0	217.290	0.628	10	30		BCEERM
CC(=N\O)/C(=N\O)C(=N\[O-])/C(C)=N\O	ZINC000103601088	187291701	/nfs/dbraw/zinc/29/17/01/187291701.db2.gz	OXXDUKPWJDYWIP-RHAKKUIBSA-N	-1	0	202.170	0.347	10	30		BCEERM
N#Cc1cc(CO)c(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000396140263	344615490	/nfs/dbraw/zinc/61/54/90/344615490.db2.gz	AMMYZWPWWJVJOO-UHFFFAOYSA-N	-1	0	222.156	0.657	10	30		BCEERM
N#Cc1ccc(CC(=O)[O-])c(CO)c1F	ZINC000396144913	344618146	/nfs/dbraw/zinc/61/81/46/344618146.db2.gz	QSRJKARHFNDXAU-UHFFFAOYSA-N	-1	0	209.176	0.817	10	30		BCEERM
N#Cc1c(C(=O)[O-])ccc(C=O)c1[N+](=O)[O-]	ZINC000396164417	344635482	/nfs/dbraw/zinc/63/54/82/344635482.db2.gz	TWOGTDPTQIUFJU-UHFFFAOYSA-N	-1	0	220.140	0.977	10	30		BCEERM
N#Cc1ccncc1NC1(C(=O)[O-])CC1	ZINC000135582788	344757537	/nfs/dbraw/zinc/75/75/37/344757537.db2.gz	SEEGQVDMCUQPJB-UHFFFAOYSA-N	-1	0	203.201	0.982	10	30		BCEERM
Cc1ccc(S(=O)(=O)CC#N)cc1C(=O)[O-]	ZINC000036893819	178823822	/nfs/dbraw/zinc/82/38/22/178823822.db2.gz	MJQBWAFRKILDJH-UHFFFAOYSA-N	-1	0	239.252	0.991	10	30		BCEERM
Cc1cc([N-]S(=O)(=O)CC#N)on1	ZINC000044509354	345099702	/nfs/dbraw/zinc/09/97/02/345099702.db2.gz	WCSSEJOLBYNCER-UHFFFAOYSA-N	-1	0	201.207	0.248	10	30		BCEERM
CCn1cc([N-]S(=O)(=O)CC#N)cn1	ZINC000044509720	345099777	/nfs/dbraw/zinc/09/97/77/345099777.db2.gz	ARYCXPPVPYBSKZ-UHFFFAOYSA-N	-1	0	214.250	0.168	10	30		BCEERM
C=CCC(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC000054400082	187317225	/nfs/dbraw/zinc/31/72/25/187317225.db2.gz	MYAZHISTLCBLQH-SECBINFHSA-N	-1	0	215.274	0.639	10	30		BCEERM
CC#CC[C@]1(C(=O)[O-])CCS(=O)(=O)C1	ZINC000167454453	346250026	/nfs/dbraw/zinc/25/00/26/346250026.db2.gz	NZHANALRKXETOK-VIFPVBQESA-N	-1	0	216.258	0.289	10	30		BCEERM
C[C@H](C#N)N1CCSC[C@H]1C(=O)[O-]	ZINC000251019697	362833996	/nfs/dbraw/zinc/83/39/96/362833996.db2.gz	CQTNWVGHYFZUFM-RQJHMYQMSA-N	-1	0	200.263	0.400	10	30		BCEERM
C[C@]1(C#N)CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC000596001016	348412113	/nfs/dbraw/zinc/41/21/13/348412113.db2.gz	ZNSLWJKOTOIRCS-SOCHQFKDSA-N	-1	0	222.244	0.469	10	30		BCEERM
C=C[C@@H](C(=O)[O-])n1cc(S(C)(=O)=O)cn1	ZINC000725251198	538029461	/nfs/dbraw/zinc/02/94/61/538029461.db2.gz	YUVVYMXUVHXTSL-ZETCQYMHSA-N	-1	0	230.245	0.098	10	30		BCEERM
C[C@H]1CC[C@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)O1	ZINC000159622251	350955823	/nfs/dbraw/zinc/95/58/23/350955823.db2.gz	DJUIXGWGOCGZIO-IMTBSYHQSA-N	-1	0	245.242	0.659	10	30		BCEERM
CC#CCNC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000168041173	351268978	/nfs/dbraw/zinc/26/89/78/351268978.db2.gz	OUHBQTPLYCOUHB-MRVPVSSYSA-N	-1	0	210.233	0.126	10	30		BCEERM
C=CCS(=O)(=O)Nc1n[nH]cc1C	ZINC000129366439	351349114	/nfs/dbraw/zinc/34/91/14/351349114.db2.gz	VOAQMVHYOAFCPB-UHFFFAOYSA-N	-1	0	201.251	0.646	10	30		BCEERM
CC[C@H](Nc1nccc(C#N)n1)C(=O)[O-]	ZINC000231892616	351437214	/nfs/dbraw/zinc/43/72/14/351437214.db2.gz	GHLCYNHUMYSIPW-ZETCQYMHSA-N	-1	0	206.205	0.623	10	30		BCEERM
C#C[C@@H](C)Nc1nc(C)cc(C(=O)[O-])n1	ZINC000231954794	351481228	/nfs/dbraw/zinc/48/12/28/351481228.db2.gz	PQKOUWOHURRDHR-ZCFIWIBFSA-N	-1	0	205.217	0.917	10	30		BCEERM
N#CCS(=O)(=O)[N-]c1cnc(Cl)cn1	ZINC000232113634	351814637	/nfs/dbraw/zinc/81/46/37/351814637.db2.gz	GNIOUTAWLRWTTP-UHFFFAOYSA-N	-1	0	232.652	0.395	10	30		BCEERM
Cn1cc(C#N)c2c1ncnc2C(=O)[O-]	ZINC000097758480	187628513	/nfs/dbraw/zinc/62/85/13/187628513.db2.gz	WNBVEFRNQULLPT-UHFFFAOYSA-N	-1	0	202.173	0.538	10	30		BCEERM
CCc1nnc([N-]S(=O)(=O)CC#N)s1	ZINC000232265710	352590544	/nfs/dbraw/zinc/59/05/44/352590544.db2.gz	LLYLPGNKPIDSCZ-UHFFFAOYSA-N	-1	0	232.290	0.366	10	30		BCEERM
N#CCCNC(=O)COc1cccc(C(=O)[O-])c1	ZINC000019281231	187934319	/nfs/dbraw/zinc/93/43/19/187934319.db2.gz	YBEWJWFGJJORDX-UHFFFAOYSA-N	-1	0	248.238	0.793	10	30		BCEERM
CC(=O)[N-]S(=O)(=O)c1cncc([N+](=O)[O-])c1	ZINC000028769858	188009756	/nfs/dbraw/zinc/00/97/56/188009756.db2.gz	QDSMFABEFWVXAF-UHFFFAOYSA-N	-1	0	245.216	0.655	10	30		BCEERM
CC#CC(=O)N1CCCCC[C@H]1C(=O)[O-]	ZINC000232587705	353138885	/nfs/dbraw/zinc/13/88/85/353138885.db2.gz	SKRGGRVONJEQIH-VIFPVBQESA-N	-1	0	209.245	0.866	10	30		BCEERM
N#CCCCS(=O)(=O)CCC(=O)[O-]	ZINC000019516764	188003852	/nfs/dbraw/zinc/00/38/52/188003852.db2.gz	RDKZKPWPJBNTOT-UHFFFAOYSA-N	-1	0	205.235	0.180	10	30		BCEERM
CC#CC(=O)NCC1(C(=O)[O-])CCCC1	ZINC000232610865	353143886	/nfs/dbraw/zinc/14/38/86/353143886.db2.gz	CODSLJOBQXDWHH-UHFFFAOYSA-N	-1	0	209.245	0.771	10	30		BCEERM
Cn1nnc(Br)c1C(Cl)=N[O-]	ZINC000307886530	353155146	/nfs/dbraw/zinc/15/51/46/353155146.db2.gz	VTOOBDDIDLOJJK-UHFFFAOYSA-N	-1	0	239.460	0.952	10	30		BCEERM
C=CCNC(=O)C[C@@H](C(=O)[O-])c1ccccn1	ZINC000076615831	166371518	/nfs/dbraw/zinc/37/15/18/166371518.db2.gz	ALQBAMOVRCGOTJ-SECBINFHSA-N	-1	0	234.255	0.942	10	30		BCEERM
N#CCCNC(=O)COc1ccc(C(=O)[O-])cc1	ZINC000019281057	188281121	/nfs/dbraw/zinc/28/11/21/188281121.db2.gz	QLOADBXXZAOJEL-UHFFFAOYSA-N	-1	0	248.238	0.793	10	30		BCEERM
N#CCCCn1cc(C(=O)[O-])ccc1=O	ZINC000021012933	188355276	/nfs/dbraw/zinc/35/52/76/188355276.db2.gz	MCAXIHCGEYZNQQ-UHFFFAOYSA-N	-1	0	206.201	0.850	10	30		BCEERM
N#CCN(CC#N)C(=O)c1ccccc1C(=O)[O-]	ZINC000019399073	181040450	/nfs/dbraw/zinc/04/04/50/181040450.db2.gz	KOUMFYZUEQKSNR-UHFFFAOYSA-N	-1	0	243.222	0.874	10	30		BCEERM
N#CCN(CC#N)c1ncccc1C(=O)[O-]	ZINC000019844907	181040604	/nfs/dbraw/zinc/04/06/04/181040604.db2.gz	KTUDYGQYBORPFO-UHFFFAOYSA-N	-1	0	216.200	0.633	10	30		BCEERM
N#C[C@@H]1CCC[C@H]1NC(=O)/C=C/C(=O)[O-]	ZINC000061889922	181059442	/nfs/dbraw/zinc/05/94/42/181059442.db2.gz	OEBASLJGMORBFH-ODAVYXMRSA-N	-1	0	208.217	0.436	10	30		BCEERM
N#Cc1cccnc1-n1cnc(C(=O)[O-])c1	ZINC000045949703	181151061	/nfs/dbraw/zinc/15/10/61/181151061.db2.gz	GVFGZGULGGBURB-UHFFFAOYSA-N	-1	0	214.184	0.837	10	30		BCEERM
N#Cc1ccccc1NC(=O)c1nnn[n-]1	ZINC000027866585	181148445	/nfs/dbraw/zinc/14/84/45/181148445.db2.gz	OAZHLMLVPWGKPM-UHFFFAOYSA-N	-1	0	214.188	0.324	10	30		BCEERM
N#Cc1ncccc1C[S@](=O)CC(=O)[O-]	ZINC000061663633	181170359	/nfs/dbraw/zinc/17/03/59/181170359.db2.gz	DCKIZEGQVYUOOG-OAHLLOKOSA-N	-1	0	224.241	0.287	10	30		BCEERM
NC(=O)N=S(=O)([O-])c1ccc2c(c1)NCC2	ZINC000089209850	181184578	/nfs/dbraw/zinc/18/45/78/181184578.db2.gz	HZPWCZLLCCBBEX-UHFFFAOYSA-N	-1	0	241.272	0.216	10	30		BCEERM
C#CCCNc1ncc(C(=O)[O-])c(C)n1	ZINC000134362865	355497304	/nfs/dbraw/zinc/49/73/04/355497304.db2.gz	KRQKFMJLJRFFHL-UHFFFAOYSA-N	-1	0	205.217	0.918	10	30		BCEERM
C[C@@H]1CC(=NOCC(=O)[O-])CC[N@@H+]1C	ZINC000252514405	363517060	/nfs/dbraw/zinc/51/70/60/363517060.db2.gz	LIMOJZVXDBZPEN-SSDOTTSWSA-N	-1	0	200.238	0.558	10	30		BCEERM
C#Cc1ccc(NC(=O)COCC(=O)[O-])cc1	ZINC000675079771	538518936	/nfs/dbraw/zinc/51/89/36/538518936.db2.gz	XOYSSHBSCVSWGS-UHFFFAOYSA-N	-1	0	233.223	0.708	10	30		BCEERM
CN(N=O)c1cnc(/C(Cl)=N/[O-])cn1	ZINC000584628198	358297263	/nfs/dbraw/zinc/29/72/63/358297263.db2.gz	DHNHGIQOPYFELZ-POHAHGRESA-N	-1	0	215.600	0.969	10	30		BCEERM
C#CC(C)(C)Nc1ccc(C(=O)[O-])nn1	ZINC000069682875	359770188	/nfs/dbraw/zinc/77/01/88/359770188.db2.gz	ZDUGCLUNBMWHFM-UHFFFAOYSA-N	-1	0	205.217	0.999	10	30		BCEERM
O=C(C#CBr)[N-]O[C@H]1CCCCO1	ZINC000306550526	360421252	/nfs/dbraw/zinc/42/12/52/360421252.db2.gz	HTYMQBPFGVQOST-QMMMGPOBSA-N	-1	0	248.076	0.917	10	30		BCEERM
C=C(CN1C(=O)CSC1=O)C(=O)[O-]	ZINC000069907289	361002469	/nfs/dbraw/zinc/00/24/69/361002469.db2.gz	IIHXSWADJOVKFE-UHFFFAOYSA-N	-1	0	201.203	0.323	10	30		BCEERM
C#CCOC(=O)[C@@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)[O-]	ZINC000101882014	541517163	/nfs/dbraw/zinc/51/71/63/541517163.db2.gz	MVLXYYBXGPWHBX-XFWSIPNHSA-N	-1	0	220.224	0.686	10	30		BCEERM
CC[C@@H](Nc1nccnc1C#N)C(=O)[O-]	ZINC000054376608	369068986	/nfs/dbraw/zinc/06/89/86/369068986.db2.gz	FVGIWOUEFXQWIC-ZCFIWIBFSA-N	-1	0	206.205	0.623	10	30		BCEERM
N#Cc1ccccc1NC[C@H](O)C(=O)[O-]	ZINC000106886040	369214773	/nfs/dbraw/zinc/21/47/73/369214773.db2.gz	YPYXAOXBUQOXOA-VIFPVBQESA-N	-1	0	206.201	0.416	10	30		BCEERM
CC#CCNC(=O)c1nc(C(=O)[O-])cs1	ZINC000130891367	369622996	/nfs/dbraw/zinc/62/29/96/369622996.db2.gz	BNMICLPFDBLHEI-UHFFFAOYSA-N	-1	0	224.241	0.594	10	30		BCEERM
N#Cc1cc(S(=O)(=O)[O-])ccc1F	ZINC000132547081	371858659	/nfs/dbraw/zinc/85/86/59/371858659.db2.gz	DTJFWXZJRGGWIC-UHFFFAOYSA-N	-1	0	201.178	0.944	10	30		BCEERM
CC#CCNC(=O)N1CSC[C@H]1C(=O)[O-]	ZINC000163633157	372021772	/nfs/dbraw/zinc/02/17/72/372021772.db2.gz	VIVHBNBMUDEHQM-ZETCQYMHSA-N	-1	0	228.273	0.179	10	30		BCEERM
C[C@@H](C#N)S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000068984309	373101507	/nfs/dbraw/zinc/10/15/07/373101507.db2.gz	VODNVZMQTLZGQO-YFKPBYRVSA-N	-1	0	229.213	0.664	10	30		BCEERM
O=C([O-])[C@@H]1CCC[C@@H]1C(=O)NCCS	ZINC000013826116	182197970	/nfs/dbraw/zinc/19/79/70/182197970.db2.gz	STSXPRQZGIYTDA-NKWVEPMBSA-N	-1	0	217.290	0.533	10	30		BCEERM
O=C([O-])[C@@H](CS)NC(=O)c1cccnc1	ZINC000001477260	182325018	/nfs/dbraw/zinc/32/50/18/182325018.db2.gz	XXAHMKAMYCVWLV-SSDOTTSWSA-N	-1	0	226.257	0.194	10	30		BCEERM
O=C([O-])C1CCN(C(=O)CS)CC1	ZINC000048013078	182429310	/nfs/dbraw/zinc/42/93/10/182429310.db2.gz	HBSZSBSYYJKKKL-UHFFFAOYSA-N	-1	0	203.263	0.239	10	30		BCEERM
NS(=O)(=O)c1ccc(/C=N/[O-])cc1	ZINC000211706236	385691113	/nfs/dbraw/zinc/69/11/13/385691113.db2.gz	FKZZRGLNNQFHSS-WEVVVXLNSA-N	-1	0	200.219	0.142	10	30		BCEERM
N#Cc1cc(CC(=O)[O-])c(C=O)cc1[N+](=O)[O-]	ZINC000575391311	386958872	/nfs/dbraw/zinc/95/88/72/386958872.db2.gz	TYLWREMGRNJXFJ-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
N#Cc1cc(CC(=O)[O-])c([N+](=O)[O-])cc1CO	ZINC000575391088	386960749	/nfs/dbraw/zinc/96/07/49/386960749.db2.gz	BPKASSSYHDBQEY-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
N#Cc1ccc([N+](=O)[O-])c(CC(=O)[O-])c1CO	ZINC000575391145	386961710	/nfs/dbraw/zinc/96/17/10/386961710.db2.gz	MNLGVGGXEIAFIC-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
COC(=O)Cc1cc(C#N)cc([N+](=O)[O-])c1[O-]	ZINC000575391924	386963392	/nfs/dbraw/zinc/96/33/92/386963392.db2.gz	VVRRLFGPTIVZRL-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
COC(=O)Cc1ccc([O-])c([N+](=O)[O-])c1C#N	ZINC000575391917	386963419	/nfs/dbraw/zinc/96/34/19/386963419.db2.gz	VLEUXQXGRYWGIC-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
C[C@@H](C(=O)[O-])N(C)c1cc(C#N)ccn1	ZINC000054054889	387127571	/nfs/dbraw/zinc/12/75/71/387127571.db2.gz	JAAGPCPICISWJU-ZETCQYMHSA-N	-1	0	205.217	0.863	10	30		BCEERM
N#Cc1cc(CC(=O)[O-])cc([N+](=O)[O-])c1CO	ZINC000575391091	388587801	/nfs/dbraw/zinc/58/78/01/388587801.db2.gz	CKIGEBAAPCETCQ-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
O=C1[N-]C(=O)C(=CNc2ccc(O)cc2)C(=O)N1	ZINC000103235825	388582560	/nfs/dbraw/zinc/58/25/60/388582560.db2.gz	YQXUHQUTAHLIOE-LFYBBSHMSA-N	-1	0	247.210	0.077	10	30		BCEERM
C#C[C@H](NC(=O)NCCC(=O)[O-])C(C)(C)C	ZINC000263361278	533326320	/nfs/dbraw/zinc/32/63/20/533326320.db2.gz	KMMOEPOIUVKDMD-QMMMGPOBSA-N	-1	0	226.276	0.808	10	30		BCEERM
CCCN(CC(=O)[O-])S(=O)(=O)CCC#N	ZINC000263492760	135357163	/nfs/dbraw/zinc/35/71/63/135357163.db2.gz	POFWQLZBGZGMJU-UHFFFAOYSA-N	-1	0	234.277	0.026	10	30		BCEERM
N#CC1=C([O-])NC(=S)N[C@H]1Cc1ccccc1	ZINC000097695948	397949509	/nfs/dbraw/zinc/94/95/09/397949509.db2.gz	MLDMNIJSNQJKDZ-UWVGGRQHSA-N	-1	0	245.307	0.742	10	30		BCEERM
N#CC1=C([O-])NC(=O)NC12CCCCC2	ZINC000584623291	398079024	/nfs/dbraw/zinc/07/90/24/398079024.db2.gz	YWAPPVZJLCUAMB-ZETCQYMHSA-N	-1	0	207.233	0.668	10	30		BCEERM
C#CCCNC(=O)N[C@](C)(C(=O)[O-])C1CC1	ZINC000019433436	166144780	/nfs/dbraw/zinc/14/47/80/166144780.db2.gz	KXUCWHZWHWUZGA-NSHDSACASA-N	-1	0	224.260	0.562	10	30		BCEERM
C#CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000019484302	166108646	/nfs/dbraw/zinc/10/86/46/166108646.db2.gz	JTSMYSDETQVUGI-SNVBAGLBSA-N	-1	0	217.224	0.432	10	30		BCEERM
C#CC(=O)N[C@@]1(C(=O)[O-])CCCC[C@@H]1C	ZINC000041037395	166108821	/nfs/dbraw/zinc/10/88/21/166108821.db2.gz	UYUMQAYOKRKRIH-KWQFWETISA-N	-1	0	209.245	0.769	10	30		BCEERM
C#CCCNC(=O)N[C@@](C)(CC)C(=O)[O-]	ZINC000019504138	166143408	/nfs/dbraw/zinc/14/34/08/166143408.db2.gz	HLAWOVVTSOCALV-JTQLQIEISA-N	-1	0	212.249	0.562	10	30		BCEERM
C#CCNC(=O)[C@@H](C)Oc1cncc(C(=O)[O-])c1	ZINC000104424290	166182332	/nfs/dbraw/zinc/18/23/32/166182332.db2.gz	VKNRGERVAZJQAT-MRVPVSSYSA-N	-1	0	248.238	0.297	10	30		BCEERM
C#CCNC(=O)c1ccccc1C(=O)[O-]	ZINC000035720964	166186200	/nfs/dbraw/zinc/18/62/00/166186200.db2.gz	VVHPSLIDIUVYGX-UHFFFAOYSA-N	-1	0	203.197	0.748	10	30		BCEERM
C#CCN[C@](C)(C(=O)[O-])c1cccnc1	ZINC000041730915	166192257	/nfs/dbraw/zinc/19/22/57/166192257.db2.gz	HLZPAHBWMMTMTA-NSHDSACASA-N	-1	0	204.229	0.604	10	30		BCEERM
C=CCNC(=O)COc1ccc(CC(=O)[O-])cc1	ZINC000013420933	166371876	/nfs/dbraw/zinc/37/18/76/166371876.db2.gz	DGEKECVCSUIVEF-UHFFFAOYSA-N	-1	0	249.266	0.995	10	30		BCEERM
C=CCNC(=O)CSCCC(=O)[O-]	ZINC000019480989	166371888	/nfs/dbraw/zinc/37/18/88/166371888.db2.gz	XZGAIMNLRAKNKB-UHFFFAOYSA-N	-1	0	203.263	0.497	10	30		BCEERM
C=C[C@@H](C(=O)[O-])N1CCN(c2ncccn2)CC1	ZINC000305987292	411429928	/nfs/dbraw/zinc/42/99/28/411429928.db2.gz	IRYRADKBBUHRCG-JTQLQIEISA-N	-1	0	248.286	0.238	10	30		BCEERM
CN(C(=O)CC(=O)[O-])c1ccc(C#N)cc1	ZINC000061949303	172300689	/nfs/dbraw/zinc/30/06/89/172300689.db2.gz	YHEZZYHYLLTXGO-UHFFFAOYSA-N	-1	0	218.212	0.996	10	30		BCEERM
COc1ccc(C#N)cc1[C@H]1OC(=O)[N-]C1=O	ZINC000027875665	175051838	/nfs/dbraw/zinc/05/18/38/175051838.db2.gz	OQTOOXAORICWLL-SECBINFHSA-N	-1	0	232.195	0.874	10	30		BCEERM
CC1=C(N)C(C(=O)CC#N)C([O-])=C(C)C1=O	ZINC000100441607	176047556	/nfs/dbraw/zinc/04/75/56/176047556.db2.gz	YJDOQFGQCLRVPX-NTSWFWBYSA-N	-1	0	220.228	0.106	10	30	in-vitro	BCEERM
CC1=C(N)C(C(=O)CC#N)C([O-])=C(C)C1=O	ZINC000100441610	177056070	/nfs/dbraw/zinc/05/60/70/177056070.db2.gz	YJDOQFGQCLRVPX-PHDIDXHHSA-N	-1	0	220.228	0.106	10	30	in-vitro	BCEERM
NC(=O)N=S(=O)([O-])c1cccs1	ZINC000026481527	526816406	/nfs/dbraw/zinc/81/64/06/526816406.db2.gz	KLPPUPBECAHKEF-UHFFFAOYSA-N	-1	0	206.248	0.310	10	30		BCEERM
O=C([O-])C#Cc1cnn(C[C@H]2CCCO2)c1	ZINC000072209911	527549966	/nfs/dbraw/zinc/54/99/66/527549966.db2.gz	BLAPWWMCCJSSOD-SNVBAGLBSA-N	-1	0	220.228	0.498	10	30		BCEERM
CC(C)(C#N)Cn1cc(N)c(C(=O)[O-])n1	ZINC000405137269	537905276	/nfs/dbraw/zinc/90/52/76/537905276.db2.gz	QHHVCFGBAINRMX-UHFFFAOYSA-N	-1	0	208.221	0.713	10	30		BCEERM
C=CCn1nnc(C(=O)[O-])c1-c1ccnn1C	ZINC000725257046	538060050	/nfs/dbraw/zinc/06/00/50/538060050.db2.gz	FYACXTWVPOUFLI-UHFFFAOYSA-N	-1	0	233.231	0.563	10	30		BCEERM
C#C[C@H]1CCCN1c1ncc(C(=O)[O-])cn1	ZINC000757180566	582553657	/nfs/dbraw/zinc/55/36/57/582553657.db2.gz	YSLPIFJOWGKTDQ-VIFPVBQESA-N	-1	0	217.228	0.777	10	30		BCEERM
O=Cc1cnc2ccc(C#CC(=O)[O-])cn12	ZINC000757568863	586357000	/nfs/dbraw/zinc/35/70/00/586357000.db2.gz	OWUREFYSYOQOOS-UHFFFAOYSA-N	-1	0	214.180	0.583	10	30		BCEERM
C=CC[C@H](NS(=O)(=O)C(F)F)C(=O)[O-]	ZINC000127536518	590701982	/nfs/dbraw/zinc/70/19/82/590701982.db2.gz	IIGLQHRISHRGJY-BYPYZUCNSA-N	-1	0	229.204	0.158	10	30		BCEERM
C=CC[C@@H](NS(=O)(=O)C(F)F)C(=O)[O-]	ZINC000127536734	590702515	/nfs/dbraw/zinc/70/25/15/590702515.db2.gz	IIGLQHRISHRGJY-SCSAIBSYSA-N	-1	0	229.204	0.158	10	30		BCEERM
C#CCCNc1nc(C)ncc1C(=O)[O-]	ZINC000300948734	592526214	/nfs/dbraw/zinc/52/62/14/592526214.db2.gz	TYCKRSOYMQNUBH-UHFFFAOYSA-N	-1	0	205.217	0.918	10	30		BCEERM
C#CCN(C)c1ncc(F)cc1C(=O)[O-]	ZINC000234255098	643689510	/nfs/dbraw/zinc/68/95/10/643689510.db2.gz	QKYOQPGAZNBUAT-UHFFFAOYSA-N	-1	0	208.192	0.988	10	30		BCEERM
C#CC[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C(=O)[O-]	ZINC000250663833	644774613	/nfs/dbraw/zinc/77/46/13/644774613.db2.gz	RBHMIYFCGXUSOH-JXUBOQSCSA-N	-1	0	221.256	0.625	10	30		BCEERM
C#CC[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C(=O)[O-]	ZINC000250663835	644775193	/nfs/dbraw/zinc/77/51/93/644775193.db2.gz	RBHMIYFCGXUSOH-UTINFBMNSA-N	-1	0	221.256	0.625	10	30		BCEERM
CC[C@@H](C#N)C(=O)N1CCC[C@H]1c1nnn[n-]1	ZINC000720474089	712845533	/nfs/dbraw/zinc/84/55/33/712845533.db2.gz	UJVOZNMORSFEGE-YUMQZZPRSA-N	-1	0	234.263	0.413	10	30		BCEERM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)C2CC2)C1	ZINC000722862511	710721921	/nfs/dbraw/zinc/72/19/21/710721921.db2.gz	MLDFEJSCHATIEX-UHFFFAOYSA-N	-1	0	245.300	0.441	10	30		BCEERM
C[C@@H](C#N)CN(C)CC(F)(F)C(=O)[O-]	ZINC000685957928	538905245	/nfs/dbraw/zinc/90/52/45/538905245.db2.gz	LPMPBMVPQHPYPQ-LURJTMIESA-N	-1	0	206.192	0.798	10	30		BCEERM
C#C[C@@H](NCC(F)(F)C(=O)[O-])C(C)C	ZINC000685957859	538905500	/nfs/dbraw/zinc/90/55/00/538905500.db2.gz	JHGPENVATRZRCL-SSDOTTSWSA-N	-1	0	205.204	0.954	10	30		BCEERM
C#CC[C@H](NC(=O)N1CCSCC1)C(=O)[O-]	ZINC000127903035	136226583	/nfs/dbraw/zinc/22/65/83/136226583.db2.gz	YVNGPXSIDGXFSQ-QMMMGPOBSA-N	-1	0	242.300	0.221	10	30		BCEERM
C#CC(C)(C)NC(=O)C1(C(=O)[O-])CCC1	ZINC000069683091	343998799	/nfs/dbraw/zinc/99/87/99/343998799.db2.gz	GWOHLSKUSPIEJD-UHFFFAOYSA-N	-1	0	209.245	0.769	10	30		BCEERM
CS(=O)(=O)C(C#N)=C([O-])c1cccnc1	ZINC000107830873	539027301	/nfs/dbraw/zinc/02/73/01/539027301.db2.gz	DDXHBUYVZHHVTO-QMMMGPOBSA-N	-1	0	224.241	0.201	10	30		BCEERM
Cc1nn(C)cc1C[C@H](S)C(=O)[O-]	ZINC000128568163	349763962	/nfs/dbraw/zinc/76/39/62/349763962.db2.gz	ZORGGLYBRNBICA-ZETCQYMHSA-N	-1	0	200.263	0.654	10	30		BCEERM
O=S(=O)([O-])C/C(=N/O)c1ccccc1O	ZINC000022066516	343039036	/nfs/dbraw/zinc/03/90/36/343039036.db2.gz	MGHQRQOJUICLPS-CLFYSBASSA-N	-1	0	231.229	0.458	10	30	in-vitro	BCEERM
O=C([O-])c1ccccc1NC1=NCCO1	ZINC000039086951	343381910	/nfs/dbraw/zinc/38/19/10/343381910.db2.gz	XGYPRAFTYBLGHQ-UHFFFAOYSA-N	-1	0	206.201	0.992	10	30		BCEERM
C#CCN[C@@H](C(=O)[O-])c1ccc(O)cc1	ZINC000051963275	166190889	/nfs/dbraw/zinc/19/08/89/166190889.db2.gz	KEYPFQBAQMEUER-SNVBAGLBSA-N	-1	0	205.213	0.741	10	30		BCEERM
CC(C)N(CC(=O)[O-])C(=O)N(C)C[C@@H](C)C#N	ZINC000042461850	187265645	/nfs/dbraw/zinc/26/56/45/187265645.db2.gz	ZTFJLTYAJXMPDP-VIFPVBQESA-N	-1	0	241.291	0.993	10	30		BCEERM
N#Cc1cccc(CNC(=O)C(=O)[O-])c1	ZINC000051668305	187271402	/nfs/dbraw/zinc/27/14/02/187271402.db2.gz	YCGKPNBPFMCJLE-UHFFFAOYSA-N	-1	0	204.185	0.259	10	30		BCEERM
N#Cc1c[n-]n2c1nc(C(F)F)cc2=O	ZINC000229925197	537812615	/nfs/dbraw/zinc/81/26/15/537812615.db2.gz	CFGFGDBDCSWYBI-UHFFFAOYSA-N	-1	0	210.143	0.832	10	30		BCEERM
C#C[C@@H](C)Nc1nc[n-]c(=O)c1Br	ZINC000165976391	344264161	/nfs/dbraw/zinc/26/41/61/344264161.db2.gz	JGEOJKAKVAQJPN-RXMQYKEDSA-N	-1	0	242.076	0.966	10	30		BCEERM
N#Cc1c(CC(=O)[O-])ccc(O)c1C=O	ZINC000396139130	344614669	/nfs/dbraw/zinc/61/46/69/344614669.db2.gz	SVTSHROKUSGRRS-UHFFFAOYSA-N	-1	0	205.169	0.703	10	30		BCEERM
C=CCS(=O)(=O)[N-]c1n[nH]c(C)n1	ZINC000127890425	344675011	/nfs/dbraw/zinc/67/50/11/344675011.db2.gz	CIIDANAHGPQTJD-UHFFFAOYSA-N	-1	0	202.239	0.041	10	30		BCEERM
N#Cc1cc(CO)c([N+](=O)[O-])cc1C(=O)[O-]	ZINC000396145625	344619045	/nfs/dbraw/zinc/61/90/45/344619045.db2.gz	AFPBVLNWZDAZBW-UHFFFAOYSA-N	-1	0	222.156	0.657	10	30		BCEERM
N#Cc1cc([N+](=O)[O-])c(C(=O)[O-])cc1C=O	ZINC000396151610	344624192	/nfs/dbraw/zinc/62/41/92/344624192.db2.gz	ADVULAJIWHVNPG-UHFFFAOYSA-N	-1	0	220.140	0.977	10	30		BCEERM
Cc1ccc(CC(=O)[O-])c(C#N)c1CO	ZINC000396154265	344626158	/nfs/dbraw/zinc/62/61/58/344626158.db2.gz	FGBRKHCNXGTSAZ-UHFFFAOYSA-N	-1	0	205.213	0.986	10	30		BCEERM
Cc1c(C#N)ccc(CC(=O)[O-])c1CO	ZINC000396156054	344627522	/nfs/dbraw/zinc/62/75/22/344627522.db2.gz	HZBPSQAYCIXZDC-UHFFFAOYSA-N	-1	0	205.213	0.986	10	30		BCEERM
C#CC[C@@H](C(=O)[O-])N1CCCCCC1=O	ZINC000127730852	344630105	/nfs/dbraw/zinc/63/01/05/344630105.db2.gz	QAVSJTUFUHATCY-VIFPVBQESA-N	-1	0	209.245	0.866	10	30		BCEERM
N#Cc1cc(CO)c(CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000514275871	344911876	/nfs/dbraw/zinc/91/18/76/344911876.db2.gz	ZWHHXGDJTNWDHX-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
CCCC#CC[C@H](C[C@H]([NH3+])C(=O)[O-])C(=O)[O-]	ZINC000001903205	168531288	/nfs/dbraw/zinc/53/12/88/168531288.db2.gz	VPNSABLBNUHHRR-BDAKNGLRSA-N	-1	0	227.260	0.683	10	30		BCEERM
C#CCC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000236439923	346242121	/nfs/dbraw/zinc/24/21/21/346242121.db2.gz	ZZFGFTCFUNTGCP-BDAKNGLRSA-N	-1	0	209.245	0.769	10	30		BCEERM
C#CCC(=O)Nc1cccnc1C(=O)[O-]	ZINC000236463414	346242558	/nfs/dbraw/zinc/24/25/58/346242558.db2.gz	MAMYJGLHURTZON-UHFFFAOYSA-N	-1	0	204.185	0.742	10	30		BCEERM
N#Cc1cccc([C@@H](O)S(=O)(=O)[O-])c1	ZINC000236565638	346250451	/nfs/dbraw/zinc/25/04/51/346250451.db2.gz	PHMLKURIRYOPIH-QMMMGPOBSA-N	-1	0	213.214	0.437	10	30		BCEERM
C#CC(=O)N1CC[C@@H](CC)C[C@H]1C(=O)[O-]	ZINC000167625568	346291996	/nfs/dbraw/zinc/29/19/96/346291996.db2.gz	OXMMLAYOTANMKA-BDAKNGLRSA-N	-1	0	209.245	0.721	10	30		BCEERM
CS(=O)(=O)O[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000148054865	346501813	/nfs/dbraw/zinc/50/18/13/346501813.db2.gz	MNGSJENYNYMNDX-BQBZGAKWSA-N	-1	0	222.262	0.606	10	30		BCEERM
C=C(C)[C@H]1C[NH2+][C@@H](C(=O)[O-])[C@H]1CC(=O)[O-]	ZINC000005195168	346612190	/nfs/dbraw/zinc/61/21/90/346612190.db2.gz	VLSMHEGGTFMBBZ-LKEWCRSYSA-N	-1	0	213.233	0.326	10	30		BCEERM
Cc1nn(C)c(N2CC[C@](C)(C(=O)[O-])C2)c1C#N	ZINC000104310833	180356196	/nfs/dbraw/zinc/35/61/96/180356196.db2.gz	ZIDHIBQDIIWGJO-LBPRGKRZSA-N	-1	0	248.286	0.901	10	30		BCEERM
C#CCC(=O)N1CCC[C@@H](C(=O)[O-])[C@@H]1C	ZINC000306679162	350834314	/nfs/dbraw/zinc/83/43/14/350834314.db2.gz	HXSIKRUGMIMUFI-DTWKUNHWSA-N	-1	0	209.245	0.721	10	30		BCEERM
CC[C@H](NC(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000606301971	351552232	/nfs/dbraw/zinc/55/22/32/351552232.db2.gz	QFOCJYNPFGCDQX-ZETCQYMHSA-N	-1	0	222.200	0.744	10	30		BCEERM
C#CC[C@@H](C)Nc1cncc(C(=O)[O-])n1	ZINC000228976831	351644573	/nfs/dbraw/zinc/64/45/73/351644573.db2.gz	FMGKIHDATOXTHT-SSDOTTSWSA-N	-1	0	205.217	0.999	10	30		BCEERM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C)CS	ZINC000027727157	188010291	/nfs/dbraw/zinc/01/02/91/188010291.db2.gz	KHPDFHQQEHFYPM-ZETCQYMHSA-N	-1	0	215.274	0.099	10	30		BCEERM
C=CCn1c(=O)[nH]c2cc(C(=O)[O-])ccc2c1=O	ZINC000015416322	188052550	/nfs/dbraw/zinc/05/25/50/188052550.db2.gz	VSMDADXYLCHWPI-UHFFFAOYSA-N	-1	0	246.222	0.574	10	30		BCEERM
CC#CC(=O)N1[C@H](C(=O)[O-])CS[C@H]1C	ZINC000232602988	353143393	/nfs/dbraw/zinc/14/33/93/353143393.db2.gz	CNSPIYFBNXXSEJ-BQBZGAKWSA-N	-1	0	213.258	0.384	10	30		BCEERM
C#CC[C@H](Nc1ncc(F)cn1)C(=O)[O-]	ZINC000128433647	353291426	/nfs/dbraw/zinc/29/14/26/353291426.db2.gz	MEQAJEXZCZCMFY-ZETCQYMHSA-N	-1	0	209.180	0.504	10	30		BCEERM
N#CCCNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000037494373	181038321	/nfs/dbraw/zinc/03/83/21/181038321.db2.gz	XZRJLGZGMNLNTI-DTWKUNHWSA-N	-1	0	224.260	0.907	10	30		BCEERM
N#CCN(CC#N)c1ccc(C(=O)[O-])cn1	ZINC000019844906	181040270	/nfs/dbraw/zinc/04/02/70/181040270.db2.gz	GAGGLWXQKSFLRU-UHFFFAOYSA-N	-1	0	216.200	0.633	10	30		BCEERM
N#Cc1cc(-n2nncc2C(=O)[O-])ccc1F	ZINC000051638346	181081588	/nfs/dbraw/zinc/08/15/88/181081588.db2.gz	QYYFDVPWXUAQNX-UHFFFAOYSA-N	-1	0	232.174	0.976	10	30		BCEERM
N#Cc1cc(N2CC[C@@H](C(=O)[O-])C2)ccn1	ZINC000062132852	181090196	/nfs/dbraw/zinc/09/01/96/181090196.db2.gz	XVANRSIUEUDHNT-MRVPVSSYSA-N	-1	0	217.228	0.864	10	30		BCEERM
N#Cc1ccc(NCc2nnn[n-]2)cc1	ZINC000044931679	181124306	/nfs/dbraw/zinc/12/43/06/181124306.db2.gz	UJSDFTIGRJUBEW-UHFFFAOYSA-N	-1	0	200.205	0.683	10	30		BCEERM
N#Cc1ccc2nc(C(=O)[O-])n(O)c2c1	ZINC000253574858	181133164	/nfs/dbraw/zinc/13/31/64/181133164.db2.gz	TXZZPIBDHZVKIQ-UHFFFAOYSA-N	-1	0	203.157	0.843	10	30		BCEERM
C=C[C@@H](C(=O)[O-])n1cnc(C#N)c1C#N	ZINC000301052974	363394584	/nfs/dbraw/zinc/39/45/84/363394584.db2.gz	XFVRPZNTPVRMHC-ZETCQYMHSA-N	-1	0	202.173	0.438	10	30		BCEERM
N#Cc1ncccc1N1CC(C(=O)[O-])C1	ZINC000129760057	356691901	/nfs/dbraw/zinc/69/19/01/356691901.db2.gz	LVQLHEYVOPZNOZ-UHFFFAOYSA-N	-1	0	203.201	0.474	10	30		BCEERM
N#Cc1cc(C=O)cc(O)c1CC(=O)[O-]	ZINC000396135960	359808352	/nfs/dbraw/zinc/80/83/52/359808352.db2.gz	KGMUNSKOASYUBH-UHFFFAOYSA-N	-1	0	205.169	0.703	10	30		BCEERM
C#CC(C)(C)NC(=O)N1CC[C@H]1C(=O)[O-]	ZINC000306515356	360341737	/nfs/dbraw/zinc/34/17/37/360341737.db2.gz	DAPGMFQBYIPCTR-ZETCQYMHSA-N	-1	0	210.233	0.267	10	30		BCEERM
O=C(C#CBr)[N-]O[C@@H]1CCCCO1	ZINC000306550520	360420970	/nfs/dbraw/zinc/42/09/70/360420970.db2.gz	HTYMQBPFGVQOST-MRVPVSSYSA-N	-1	0	248.076	0.917	10	30		BCEERM
C#CC[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O	ZINC000139785584	369640686	/nfs/dbraw/zinc/64/06/86/369640686.db2.gz	QFJMTRAYIVOQGW-SNVBAGLBSA-N	-1	0	243.218	0.759	10	30		BCEERM
Cc1nnc([N-]S(=O)(=O)[C@@H](C)C#N)o1	ZINC000131388870	371598145	/nfs/dbraw/zinc/59/81/45/371598145.db2.gz	ZOOKPPXGLSOFPI-BYPYZUCNSA-N	-1	0	216.222	0.032	10	30		BCEERM
C#C[C@H](C)NC(=O)c1cc(C(=O)[O-])no1	ZINC000307372326	372116916	/nfs/dbraw/zinc/11/69/16/372116916.db2.gz	QURWRPWZJBYFMX-YFKPBYRVSA-N	-1	0	208.173	0.124	10	30		BCEERM
C#CC(=O)N[C@H](C(=O)[O-])c1cccs1	ZINC000133856141	372123693	/nfs/dbraw/zinc/12/36/93/372123693.db2.gz	IKOLQNVTVAWEFS-QMMMGPOBSA-N	-1	0	209.226	0.623	10	30		BCEERM
O=C(CO[C@@H](CO)c1ccccc1)NO	ZINC000103233437	182000257	/nfs/dbraw/zinc/00/02/57/182000257.db2.gz	DVVLZKQMLDOWGP-VIFPVBQESA-N	-1	0	211.217	0.242	10	30		BCEERM
Cc1ccncc1[N-]S(=O)(=O)CC#N	ZINC000070959514	374235229	/nfs/dbraw/zinc/23/52/29/374235229.db2.gz	OKFVAWAKTOMUSW-UHFFFAOYSA-N	-1	0	211.246	0.655	10	30		BCEERM
O=C1C[C@@H](Cc2ccccc2)C(=O)N1[O-]	ZINC000136675256	182775550	/nfs/dbraw/zinc/77/55/50/182775550.db2.gz	OEOCGLHNKJKVBF-SECBINFHSA-N	-1	0	205.213	0.993	10	30		BCEERM
CC(=O)c1c(C)[n-]n2c1ncc(C#N)c2=O	ZINC000072416691	384116716	/nfs/dbraw/zinc/11/67/16/384116716.db2.gz	JSIYYLJUTZRFSM-UHFFFAOYSA-N	-1	0	216.200	0.818	10	30		BCEERM
COC(=O)Cc1ccc(C#N)c([N+](=O)[O-])c1[O-]	ZINC000575391432	386960117	/nfs/dbraw/zinc/96/01/17/386960117.db2.gz	GZHAITWYLIJTII-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
N#Cc1cc(CO)c([N+](=O)[O-])cc1CC(=O)[O-]	ZINC000575391092	386960182	/nfs/dbraw/zinc/96/01/82/386960182.db2.gz	CSMNWCIYWUJRQY-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
COC(=O)Cc1cc([O-])cc(C#N)c1[N+](=O)[O-]	ZINC000575391947	386963920	/nfs/dbraw/zinc/96/39/20/386963920.db2.gz	XYFZGLAPNCADIP-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
COC(=O)Cc1cc([N+](=O)[O-])c(C#N)cc1[O-]	ZINC000575391911	386964481	/nfs/dbraw/zinc/96/44/81/386964481.db2.gz	UZGKSBVTDRJLAV-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
CC[C@H](Nc1nccnc1C#N)C(=O)[O-]	ZINC000054376607	388594264	/nfs/dbraw/zinc/59/42/64/388594264.db2.gz	FVGIWOUEFXQWIC-LURJTMIESA-N	-1	0	206.205	0.623	10	30		BCEERM
C=CCC[C@H](CO)Nc1cnc(C(=O)[O-])cn1	ZINC000263349932	135348107	/nfs/dbraw/zinc/34/81/07/135348107.db2.gz	VGSCHEKTNAYLCJ-MRVPVSSYSA-N	-1	0	237.259	0.914	10	30		BCEERM
C#CC(=O)Nc1ccc(NC(C)=O)cc1C(=O)[O-]	ZINC000019518911	166109201	/nfs/dbraw/zinc/10/92/01/166109201.db2.gz	OXBCMAFONPXDOQ-UHFFFAOYSA-N	-1	0	246.222	0.915	10	30		BCEERM
C#CC(=O)N1CCc2sccc2[C@@H]1C(=O)[O-]	ZINC000044591691	166109271	/nfs/dbraw/zinc/10/92/71/166109271.db2.gz	FYMQHPPVPDSONC-SNVBAGLBSA-N	-1	0	235.264	0.892	10	30		BCEERM
C#CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000019505522	166109310	/nfs/dbraw/zinc/10/93/10/166109310.db2.gz	TZTUTSGOLFNUQE-NSHDSACASA-N	-1	0	229.235	0.658	10	30		BCEERM
C#CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000019506439	166109714	/nfs/dbraw/zinc/10/97/14/166109714.db2.gz	JHWDCYHLJATWJL-JTQLQIEISA-N	-1	0	233.223	0.137	10	30		BCEERM
C#CC(=O)Nc1ccc(C(=O)[O-])cc1O	ZINC000037473673	166108136	/nfs/dbraw/zinc/10/81/36/166108136.db2.gz	XZIVNEUYBODUNR-UHFFFAOYSA-N	-1	0	205.169	0.662	10	30		BCEERM
C=CCNC(=O)N[C@](C)(C(=O)[O-])C1CC1	ZINC000019438708	166380614	/nfs/dbraw/zinc/38/06/14/166380614.db2.gz	JGIVVQPGIAVLKS-JTQLQIEISA-N	-1	0	212.249	0.725	10	30		BCEERM
C=CCNC(=O)[C@H](C)n1ccc(C(=O)[O-])n1	ZINC000020320719	166389829	/nfs/dbraw/zinc/38/98/29/166389829.db2.gz	YABIMNPVSGIRTP-ZETCQYMHSA-N	-1	0	223.232	0.445	10	30		BCEERM
C=C[C@@H](C(=O)[O-])N(C)Cc1cnn(CC)c1	ZINC000652414544	411234195	/nfs/dbraw/zinc/23/41/95/411234195.db2.gz	GFYGGTDTNJREJO-JTQLQIEISA-N	-1	0	223.276	0.974	10	30		BCEERM
C=C[C@@H](C(=O)[O-])N1CCO[C@](C)(C(F)F)C1	ZINC000663315938	411622785	/nfs/dbraw/zinc/62/27/85/411622785.db2.gz	QDEHBJZPTQGABA-XVKPBYJWSA-N	-1	0	235.230	0.982	10	30		BCEERM
COCCN(CCC#N)[C@@H](C)C(=O)[O-]	ZINC000070844673	174289118	/nfs/dbraw/zinc/28/91/18/174289118.db2.gz	YGJWJVKUKRNNOE-QMMMGPOBSA-N	-1	0	200.238	0.322	10	30		BCEERM
COCCN(CCC#N)[C@H](C)C(=O)[O-]	ZINC000070844677	174290046	/nfs/dbraw/zinc/29/00/46/174290046.db2.gz	YGJWJVKUKRNNOE-MRVPVSSYSA-N	-1	0	200.238	0.322	10	30		BCEERM
C[C@@H](C#N)CN(C)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000042710387	175595582	/nfs/dbraw/zinc/59/55/82/175595582.db2.gz	XGYQIMJVOBVPSU-DTWKUNHWSA-N	-1	0	241.291	0.850	10	30		BCEERM
C[C@@H]([C@H](C#N)CPCCC#N)S(=O)(=O)[O-]	ZINC000223709601	176011804	/nfs/dbraw/zinc/01/18/04/176011804.db2.gz	DRDRFJMKDFIYPA-JGVFFNPUSA-N	-1	0	248.244	0.995	10	30		BCEERM
C[C@H](O)[C@H](NC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000019259627	177013862	/nfs/dbraw/zinc/01/38/62/177013862.db2.gz	DSHVUWHLNFAKQC-XVKPBYJWSA-N	-1	0	248.238	0.122	10	30		BCEERM
C=CCOCCNC(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000304233551	487482105	/nfs/dbraw/zinc/48/21/05/487482105.db2.gz	LOIKWZNZTZIJRN-SECBINFHSA-N	-1	0	244.291	0.551	10	30		BCEERM
COCCNc1nonc1C(Cl)=N[O-]	ZINC000301054620	523967104	/nfs/dbraw/zinc/96/71/04/523967104.db2.gz	CJKQNSAIXIFSOF-UHFFFAOYSA-N	-1	0	220.616	0.503	10	30		BCEERM
COc1ccc(S(=O)([O-])=NC(N)=O)cc1	ZINC000026481443	524996521	/nfs/dbraw/zinc/99/65/21/524996521.db2.gz	OXIHBMGOHJFHII-UHFFFAOYSA-N	-1	0	230.245	0.257	10	30		BCEERM
NC(=O)N=S(=O)([O-])c1ccc(F)cc1	ZINC000026481385	526816547	/nfs/dbraw/zinc/81/65/47/526816547.db2.gz	ISUQSGPNYFTDBC-UHFFFAOYSA-N	-1	0	218.209	0.387	10	30		BCEERM
C#C[C@@H]1CCCN1c1cncc(C(=O)[O-])n1	ZINC000757177313	582552545	/nfs/dbraw/zinc/55/25/45/582552545.db2.gz	ZSLLVJNWXMSYLG-MRVPVSSYSA-N	-1	0	217.228	0.777	10	30		BCEERM
CCOC(=O)/C(=N\[O-])c1ncnn1C(C)C	ZINC000757067472	586423709	/nfs/dbraw/zinc/42/37/09/586423709.db2.gz	WHEDWUSGBFNHES-GHXNOFRVSA-N	-1	0	226.236	0.600	10	30		BCEERM
C#CCN(c1cncc(C(=O)[O-])n1)C1CC1	ZINC000757177031	586433753	/nfs/dbraw/zinc/43/37/53/586433753.db2.gz	IOMHOAYTQHOMJG-UHFFFAOYSA-N	-1	0	217.228	0.777	10	30		BCEERM
O=Cc1cc([N+](=O)[O-])c(C#CC(=O)[O-])cc1F	ZINC000757570053	586462611	/nfs/dbraw/zinc/46/26/11/586462611.db2.gz	YFYHUNZRNAWLPE-UHFFFAOYSA-N	-1	0	237.142	0.983	10	30		BCEERM
C[C@H](C(=O)[O-])N(C)c1ccc(C#N)nc1	ZINC000122433728	589589337	/nfs/dbraw/zinc/58/93/37/589589337.db2.gz	CNCUZHLMEUIYBP-SSDOTTSWSA-N	-1	0	205.217	0.863	10	30		BCEERM
CC#CCNc1nc(C)ncc1C(=O)[O-]	ZINC000300883642	592523660	/nfs/dbraw/zinc/52/36/60/592523660.db2.gz	LUCGNUGGFLHUDV-UHFFFAOYSA-N	-1	0	205.217	0.918	10	30		BCEERM
C#C[C@@H](CC)Nc1ccc(C(=O)[O-])nn1	ZINC000229996304	633006609	/nfs/dbraw/zinc/00/66/09/633006609.db2.gz	GXGFYKQDTWLMEG-ZETCQYMHSA-N	-1	0	205.217	0.999	10	30		BCEERM
C#CC[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)C(=O)[O-]	ZINC000127398750	636506176	/nfs/dbraw/zinc/50/61/76/636506176.db2.gz	SMNDTZWUXABXJJ-HRDYMLBCSA-N	-1	0	225.244	0.147	10	30		BCEERM
C=CCN(CC(=O)[O-])C(=O)[C@@H](C)COC	ZINC000191252432	641908960	/nfs/dbraw/zinc/90/89/60/641908960.db2.gz	OENKVFCZQIFWSV-QMMMGPOBSA-N	-1	0	215.249	0.368	10	30		BCEERM
Cc1cc(NCc2n[nH]c(=O)[n-]2)c(C#N)c(C)n1	ZINC000301803701	178176544	/nfs/dbraw/zinc/17/65/44/178176544.db2.gz	WYGROHOEPPURMG-UHFFFAOYSA-N	-1	0	244.258	0.594	10	30		BCEERM
CS(=O)(=O)c1ccc(C#CC(=O)[O-])cc1	ZINC000070835634	361779871	/nfs/dbraw/zinc/77/98/71/361779871.db2.gz	PYAITQUWQYJEAP-UHFFFAOYSA-N	-1	0	224.237	0.526	10	30		BCEERM
C[C@@H](NOC(=O)Cc1ccccc1)C(=O)[O-]	ZINC000001643837	342706778	/nfs/dbraw/zinc/70/67/78/342706778.db2.gz	JKLCZFBPRATMBX-MRVPVSSYSA-N	-1	0	223.228	0.750	10	30		BCEERM
C#CCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	ZINC000040520416	166181373	/nfs/dbraw/zinc/18/13/73/166181373.db2.gz	STYIKWBGUUWTAG-SSDOTTSWSA-N	-1	0	212.249	0.418	10	30		BCEERM
CC(C)(C)OC(=O)N1CC(C#CC(=O)[O-])C1	ZINC000584880017	343080335	/nfs/dbraw/zinc/08/03/35/343080335.db2.gz	YTPVBUWQMPFOFN-UHFFFAOYSA-N	-1	0	225.244	0.941	10	30		BCEERM
C[C@@H](/C(N)=N/O)n1cc(Br)cn1	ZINC000043516421	343115982	/nfs/dbraw/zinc/11/59/82/343115982.db2.gz	GXXZOJOYXKVTST-BYPYZUCNSA-N	-1	0	233.069	0.953	10	30		BCEERM
O=C1c2cc(O)cc(O)c2C(=O)C([O-])=C1O	ZINC000006499634	136270943	/nfs/dbraw/zinc/27/09/43/136270943.db2.gz	RWRKDUHFUYRCIT-UHFFFAOYSA-N	-1	0	222.152	0.804	10	30		BCEERM
CC#CC(=O)N1[C@H](C(=O)[O-])CS[C@H]1CC	ZINC000233917378	343129563	/nfs/dbraw/zinc/12/95/63/343129563.db2.gz	KBQQLBSOHXBQTE-CBAPKCEASA-N	-1	0	227.285	0.774	10	30		BCEERM
O=C1C=C([O-])c2c(O)cc(O)cc2C1=O	ZINC000012502220	187250925	/nfs/dbraw/zinc/25/09/25/187250925.db2.gz	RROPNRTUMVVUED-UHFFFAOYSA-N	-1	0	206.153	0.919	10	30	in-vivo	BCEERM
CC(C)[C@H](NC(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000042461622	187265757	/nfs/dbraw/zinc/26/57/57/187265757.db2.gz	SDTMSHMMMHMSLN-BDAKNGLRSA-N	-1	0	241.291	0.897	10	30		BCEERM
N#CCc1ccc(NC(=O)C(=O)[O-])cc1	ZINC000051602185	187271665	/nfs/dbraw/zinc/27/16/65/187271665.db2.gz	ROPXEZRNTMELAT-UHFFFAOYSA-N	-1	0	204.185	0.776	10	30		BCEERM
N#C[C@@H]1C(C(=O)[O-])=CN=C[C@H]1OC1CC1	ZINC000095735249	187287918	/nfs/dbraw/zinc/28/79/18/187287918.db2.gz	KKYHWCMMWRGSBM-VXNVDRBHSA-N	-1	0	206.201	0.727	10	30		BCEERM
C#CC(C)(C)Oc1cncc(C(=O)[O-])n1	ZINC000165952476	344247621	/nfs/dbraw/zinc/24/76/21/344247621.db2.gz	KKFSXMFKVKIHLQ-UHFFFAOYSA-N	-1	0	206.201	0.965	10	30		BCEERM
C#CCCC(=O)Nc1cc(C(=O)[O-])n[nH]1	ZINC000236457469	344386769	/nfs/dbraw/zinc/38/67/69/344386769.db2.gz	YBXNRIWHIHBMDO-UHFFFAOYSA-N	-1	0	207.189	0.460	10	30		BCEERM
N#C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ncc[n-]1	ZINC000381062620	344475200	/nfs/dbraw/zinc/47/52/00/344475200.db2.gz	LRPYBNSVVXRVLP-SFYZADRCSA-N	-1	0	240.288	0.380	10	30		BCEERM
C#CC[C@H](C(=O)[O-])N1C(=O)CCCC1=O	ZINC000127551788	344560589	/nfs/dbraw/zinc/56/05/89/344560589.db2.gz	VERGVLVXLGXZEK-SSDOTTSWSA-N	-1	0	209.201	0.002	10	30		BCEERM
N#Cc1cc(CO)c(F)cc1CC(=O)[O-]	ZINC000396141745	344615871	/nfs/dbraw/zinc/61/58/71/344615871.db2.gz	GAUFWHKBEHKEQX-UHFFFAOYSA-N	-1	0	209.176	0.817	10	30		BCEERM
N#Cc1cc(CO)cc([N+](=O)[O-])c1C(=O)[O-]	ZINC000396147166	344620479	/nfs/dbraw/zinc/62/04/79/344620479.db2.gz	DZHZEVHARKZLNP-UHFFFAOYSA-N	-1	0	222.156	0.657	10	30		BCEERM
C#C[C@@H](C)Oc1nc(NN)[nH+]cc1Cl	ZINC000235235460	344852852	/nfs/dbraw/zinc/85/28/52/344852852.db2.gz	URMLIMIMMVGRMG-RXMQYKEDSA-N	-1	0	212.640	0.816	10	30		BCEERM
C#CC[C@H](C)Nc1cncc(C(=O)[O-])n1	ZINC000228976817	345425316	/nfs/dbraw/zinc/42/53/16/345425316.db2.gz	FMGKIHDATOXTHT-ZETCQYMHSA-N	-1	0	205.217	0.999	10	30		BCEERM
CC(C)CC(=O)N[C@@H](CS)C(=O)[O-]	ZINC000034301117	345821034	/nfs/dbraw/zinc/82/10/34/345821034.db2.gz	HKFJYZVGLWDIIY-LURJTMIESA-N	-1	0	205.279	0.532	10	30		BCEERM
N#CCc1nc[nH]c(=O)c1Br	ZINC000166953625	345961466	/nfs/dbraw/zinc/96/14/66/345961466.db2.gz	CMFGRDRNWXRBOU-UHFFFAOYSA-N	-1	0	214.022	0.598	10	30		BCEERM
C=C(C)CNC(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000019470932	187313428	/nfs/dbraw/zinc/31/34/28/187313428.db2.gz	ZYZRTKJECJBOOZ-MRVPVSSYSA-N	-1	0	214.265	0.971	10	30		BCEERM
CCCCO/N=C(\C#N)C(=O)[N-]OCC	ZINC000148910391	346067589	/nfs/dbraw/zinc/06/75/89/346067589.db2.gz	IMWVRMUKBUJMNQ-DHZHZOJOSA-N	-1	0	213.237	0.750	10	30		BCEERM
CC(C)[C@H](Nc1nccnc1C#N)C(=O)[O-]	ZINC000054376722	187317003	/nfs/dbraw/zinc/31/70/03/187317003.db2.gz	NKIAQLHTWOSMRL-QMMMGPOBSA-N	-1	0	220.232	0.869	10	30		BCEERM
C=CC[C@@]1(C(=O)[O-])CCS(=O)(=O)C1	ZINC000167444029	346247838	/nfs/dbraw/zinc/24/78/38/346247838.db2.gz	UISODZMGTLGGFA-MRVPVSSYSA-N	-1	0	204.247	0.452	10	30		BCEERM
CC#CC[C@@]1(C(=O)[O-])CCS(=O)(=O)C1	ZINC000167454562	346249792	/nfs/dbraw/zinc/24/97/92/346249792.db2.gz	NZHANALRKXETOK-SECBINFHSA-N	-1	0	216.258	0.289	10	30		BCEERM
C#CCS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000036893627	347967851	/nfs/dbraw/zinc/96/78/51/347967851.db2.gz	OUXPRUBXHNMCOI-UHFFFAOYSA-N	-1	0	224.237	0.792	10	30		BCEERM
N#Cc1ccc([O-])c(N2CCOCC2=O)c1	ZINC000725244216	537996156	/nfs/dbraw/zinc/99/61/56/537996156.db2.gz	KRSRWKPRYMMTIR-UHFFFAOYSA-N	-1	0	218.212	0.627	10	30		BCEERM
Cc1nn(C)c(N2CC[C@@](C)(C(=O)[O-])C2)c1C#N	ZINC000104310826	180356179	/nfs/dbraw/zinc/35/61/79/180356179.db2.gz	ZIDHIBQDIIWGJO-GFCCVEGCSA-N	-1	0	248.286	0.901	10	30		BCEERM
C#C[C@@H](CC)Nc1cc(C(=O)[O-])ncn1	ZINC000306859199	351184460	/nfs/dbraw/zinc/18/44/60/351184460.db2.gz	CYIIZONUWFMAMX-ZETCQYMHSA-N	-1	0	205.217	0.999	10	30		BCEERM
C=C(Cn1cc(Cl)cnc1=O)C(=O)[O-]	ZINC000168175172	351332003	/nfs/dbraw/zinc/33/20/03/351332003.db2.gz	FOUOQZXMDWNPBY-UHFFFAOYSA-N	-1	0	214.608	0.538	10	30		BCEERM
CCc1c[nH]nc1[N-]S(=O)(=O)CC#N	ZINC000129377183	351862409	/nfs/dbraw/zinc/86/24/09/351862409.db2.gz	LTEVUPURJXHTHE-UHFFFAOYSA-N	-1	0	214.250	0.237	10	30		BCEERM
C=CCN(CCN1CCNC1=O)C(=O)[O-]	ZINC000090469775	166341680	/nfs/dbraw/zinc/34/16/80/166341680.db2.gz	CMFHNMNGNJSWTA-UHFFFAOYSA-N	-1	0	213.237	0.178	10	30		BCEERM
N#Cc1ncn(Cc2ccc(C(=O)[O-])o2)n1	ZINC000060142939	188011958	/nfs/dbraw/zinc/01/19/58/188011958.db2.gz	UWLLXOOLZUJQBR-UHFFFAOYSA-N	-1	0	218.172	0.489	10	30		BCEERM
N#Cc1ccc([C@@H]([NH3+])P(=O)([O-])[O-])cc1	ZINC000232616735	353144357	/nfs/dbraw/zinc/14/43/57/353144357.db2.gz	HGILRAJIIYUVJD-QMMMGPOBSA-N	-1	0	212.145	0.693	10	30		BCEERM
C=CC[C@H](NS(=O)(=O)CC(C)C)C(=O)[O-]	ZINC000127533215	353270555	/nfs/dbraw/zinc/27/05/55/353270555.db2.gz	FOOLLNLNCKBGGN-QMMMGPOBSA-N	-1	0	235.305	0.591	10	30		BCEERM
C#CC[C@H](Nc1ncc(C)cn1)C(=O)[O-]	ZINC000127567425	353273415	/nfs/dbraw/zinc/27/34/15/353273415.db2.gz	BVBUJEUQPCBKDX-QMMMGPOBSA-N	-1	0	205.217	0.673	10	30		BCEERM
CC#CCCN1N=C(C(=O)[O-])CCC1=O	ZINC000161372210	353281480	/nfs/dbraw/zinc/28/14/80/353281480.db2.gz	GGWATLSQSMJYTA-UHFFFAOYSA-N	-1	0	208.217	0.463	10	30		BCEERM
C=CC/N=C1/NC(=O)C[C@@H](C(=O)[O-])S1	ZINC000075623717	188308081	/nfs/dbraw/zinc/30/80/81/188308081.db2.gz	PDZMTUPBUMLQSP-YFKPBYRVSA-N	-1	0	214.246	0.235	10	30		BCEERM
N#CCNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000040605441	188293044	/nfs/dbraw/zinc/29/30/44/188293044.db2.gz	MBKNROAITULJJC-YUMQZZPRSA-N	-1	0	210.233	0.517	10	30		BCEERM
N#CNN=CNc1cccc(C(=O)[O-])c1	ZINC000039085357	181053431	/nfs/dbraw/zinc/05/34/31/181053431.db2.gz	LDBXARRFUJUVPP-UHFFFAOYSA-N	-1	0	204.189	0.811	10	30		BCEERM
N#Cc1cc(-n2cc(C(=O)[O-])cn2)ccn1	ZINC000061812966	181082176	/nfs/dbraw/zinc/08/21/76/181082176.db2.gz	LGQGPSWMYLOQQR-UHFFFAOYSA-N	-1	0	214.184	0.837	10	30		BCEERM
N#Cc1cc(N2CC[C@H](C(=O)[O-])C2)ccn1	ZINC000062132851	181090512	/nfs/dbraw/zinc/09/05/12/181090512.db2.gz	XVANRSIUEUDHNT-QMMMGPOBSA-N	-1	0	217.228	0.864	10	30		BCEERM
N#Cc1ccc(C[S@](=O)CC(=O)[O-])cc1	ZINC000037921628	181110618	/nfs/dbraw/zinc/11/06/18/181110618.db2.gz	XDDKSCSUNNLVHL-OAHLLOKOSA-N	-1	0	223.253	0.892	10	30		BCEERM
N#Cc1ccccc1NC(=O)CNCC(=O)[O-]	ZINC000035385573	181147871	/nfs/dbraw/zinc/14/78/71/181147871.db2.gz	DAFWOPGWSLMLOS-UHFFFAOYSA-N	-1	0	233.227	0.171	10	30		BCEERM
N#Cc1ccccc1NCC(=O)NCC(=O)[O-]	ZINC000035384730	181148351	/nfs/dbraw/zinc/14/83/51/181148351.db2.gz	MGCNXZWVGADWES-UHFFFAOYSA-N	-1	0	233.227	0.171	10	30		BCEERM
N#Cc1nccnc1-n1cc(C(=O)[O-])cn1	ZINC000054378914	181173036	/nfs/dbraw/zinc/17/30/36/181173036.db2.gz	WNOHBVGYPMTTSG-UHFFFAOYSA-N	-1	0	215.172	0.232	10	30		BCEERM
N#Cc1ncn(-c2ccnc(C(=O)[O-])c2)n1	ZINC000061842098	181176109	/nfs/dbraw/zinc/17/61/09/181176109.db2.gz	NRYVIXSWYUYRDC-UHFFFAOYSA-N	-1	0	215.172	0.232	10	30		BCEERM
N#Cc1ncn(-c2ccccc2C(=O)[O-])n1	ZINC000061842106	181176162	/nfs/dbraw/zinc/17/61/62/181176162.db2.gz	MSFJCBHJIVVMNP-UHFFFAOYSA-N	-1	0	214.184	0.837	10	30		BCEERM
C#CC(=O)N1CC[C@H](CC)C[C@@H]1C(=O)[O-]	ZINC000167625887	356429980	/nfs/dbraw/zinc/42/99/80/356429980.db2.gz	OXMMLAYOTANMKA-DTWKUNHWSA-N	-1	0	209.245	0.721	10	30		BCEERM
C[C@H]1CC(=NOCC(=O)[O-])CC[N@@H+]1C	ZINC000252514406	363517240	/nfs/dbraw/zinc/51/72/40/363517240.db2.gz	LIMOJZVXDBZPEN-ZETCQYMHSA-N	-1	0	200.238	0.558	10	30		BCEERM
Cn1c(/C=N/N)c(Br)cc1C(=O)[O-]	ZINC000306461820	360071955	/nfs/dbraw/zinc/07/19/55/360071955.db2.gz	GLXSLABQSWLSJJ-XCVCLJGOSA-N	-1	0	246.064	0.778	10	30		BCEERM
C=C[C@@]1(CC(=O)[O-])CCS(=O)(=O)C1	ZINC000675053971	541433270	/nfs/dbraw/zinc/43/32/70/541433270.db2.gz	RWRXLVKIBBDKQJ-QMMMGPOBSA-N	-1	0	204.247	0.452	10	30		BCEERM
C#CC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000253144482	368557816	/nfs/dbraw/zinc/55/78/16/368557816.db2.gz	YYJGOAVPQISNPU-KYZUINATSA-N	-1	0	209.245	0.627	10	30		BCEERM
CCOC(=O)c1nc2ccc(C#N)cc2c(=O)[n-]1	ZINC000114404420	368938586	/nfs/dbraw/zinc/93/85/86/368938586.db2.gz	RJFMPBYVOZUSGR-UHFFFAOYSA-N	-1	0	243.222	0.971	10	30		BCEERM
N#C[C@@H]1CCC[C@@H]1NC(=O)/C=C\C(=O)[O-]	ZINC000227454254	371866117	/nfs/dbraw/zinc/86/61/17/371866117.db2.gz	OEBASLJGMORBFH-QLFXJFTPSA-N	-1	0	208.217	0.436	10	30		BCEERM
C[C@@H]1C[C@H](C(=O)[O-])[C@@H](C(=O)NCC#N)C1	ZINC000228946180	372090872	/nfs/dbraw/zinc/09/08/72/372090872.db2.gz	QJPADAXXGHOPNJ-FXQIFTODSA-N	-1	0	210.233	0.373	10	30		BCEERM
CC#CC(=O)N[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000232628493	372149267	/nfs/dbraw/zinc/14/92/67/372149267.db2.gz	WKWFBWHDJULJMQ-DTWKUNHWSA-N	-1	0	209.245	0.769	10	30		BCEERM
N#CCNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000040605442	373554972	/nfs/dbraw/zinc/55/49/72/373554972.db2.gz	MBKNROAITULJJC-JGVFFNPUSA-N	-1	0	210.233	0.517	10	30		BCEERM
O=C([O-])[C@H](CS)NC(=O)c1cccnc1	ZINC000001477259	182287029	/nfs/dbraw/zinc/28/70/29/182287029.db2.gz	XXAHMKAMYCVWLV-ZETCQYMHSA-N	-1	0	226.257	0.194	10	30		BCEERM
C#CC(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC000019425587	532983593	/nfs/dbraw/zinc/98/35/93/532983593.db2.gz	WRZWZOCAYBFQFT-JTQLQIEISA-N	-1	0	231.207	0.498	10	30		BCEERM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)N)cc1	ZINC000042854239	384246884	/nfs/dbraw/zinc/24/68/84/384246884.db2.gz	YVNOGHWIGCXOKP-QMMMGPOBSA-N	-1	0	242.300	0.987	10	30		BCEERM
O=Cc1ccc(C2=N[S@@](=O)O[N-]2)cc1	ZINC000238689538	385259328	/nfs/dbraw/zinc/25/93/28/385259328.db2.gz	XCJIKPHNESBAEQ-AWEZNQCLSA-N	-1	0	210.214	0.359	10	30		BCEERM
C=C(C)[C@@H](CO)SC[C@@H](NC(C)=O)C(=O)[O-]	ZINC000077270309	386164374	/nfs/dbraw/zinc/16/43/74/386164374.db2.gz	VKHVOPQHEPZBQW-RKDXNWHRSA-N	-1	0	247.316	0.246	10	30	in-vitro	BCEERM
N#Cc1c(C=O)cc([N+](=O)[O-])cc1CC(=O)[O-]	ZINC000575390905	386959789	/nfs/dbraw/zinc/95/97/89/386959789.db2.gz	IXWPKIKLNJNIEJ-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
COC(=O)Cc1c([O-])ccc(C#N)c1[N+](=O)[O-]	ZINC000575391488	386959884	/nfs/dbraw/zinc/95/98/84/386959884.db2.gz	JPAZNPSQRNGHST-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
N#Cc1c(CC(=O)[O-])ccc(CO)c1[N+](=O)[O-]	ZINC000575391100	386960160	/nfs/dbraw/zinc/96/01/60/386960160.db2.gz	FUJLYAHIZCQXSZ-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
N#Cc1ccc(CC(=O)[O-])c([N+](=O)[O-])c1CO	ZINC000575391087	386960342	/nfs/dbraw/zinc/96/03/42/386960342.db2.gz	BOIQNANAFYCGAE-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
N#Cc1cc(C=O)c([N+](=O)[O-])c(CC(=O)[O-])c1	ZINC000575391563	386962588	/nfs/dbraw/zinc/96/25/88/386962588.db2.gz	VNICIBXIWLXICJ-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
Cn1cc(C#CC(=O)[O-])nc1Br	ZINC000575468399	387083434	/nfs/dbraw/zinc/08/34/34/387083434.db2.gz	YSHALZFEWDGJFG-UHFFFAOYSA-N	-1	0	229.033	0.619	10	30		BCEERM
N#Cc1cc(CC(=O)[O-])cc([N+](=O)[O-])c1C=O	ZINC000575390832	388575553	/nfs/dbraw/zinc/57/55/53/388575553.db2.gz	DKMNUAYBCRPTIB-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
N#Cc1cc([N+](=O)[O-])cc(C=O)c1CC(=O)[O-]	ZINC000575390823	388575858	/nfs/dbraw/zinc/57/58/58/388575858.db2.gz	CWGSZVKKRRUQKZ-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
C[C@@H]1CN(c2ncncc2C#N)C[C@H]1C(=O)[O-]	ZINC000304485704	388654218	/nfs/dbraw/zinc/65/42/18/388654218.db2.gz	OVFQABNRHYIYDF-VXNVDRBHSA-N	-1	0	232.243	0.505	10	30		BCEERM
CC(C)[C@@H](Nc1nccc(C#N)n1)C(=O)[O-]	ZINC000231892911	134546565	/nfs/dbraw/zinc/54/65/65/134546565.db2.gz	FMAMAVBBDDEYOS-MRVPVSSYSA-N	-1	0	220.232	0.869	10	30		BCEERM
C#C[C@@H](NC(=O)N(C)CCC(=O)[O-])C(C)C	ZINC000261530566	135157855	/nfs/dbraw/zinc/15/78/55/135157855.db2.gz	IKVALCJYYGCVER-SECBINFHSA-N	-1	0	226.276	0.760	10	30		BCEERM
C=C(C)COCCNC(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC000262176090	135284160	/nfs/dbraw/zinc/28/41/60/135284160.db2.gz	QSTKCDOHSNNJAI-VHSXEESVSA-N	-1	0	241.287	0.806	10	30		BCEERM
C=CCC[C@@H](NC(=O)[C@H](C)COC)C(=O)[O-]	ZINC000262786224	135318051	/nfs/dbraw/zinc/31/80/51/135318051.db2.gz	BLTFMHAOXLDRBP-RKDXNWHRSA-N	-1	0	229.276	0.805	10	30		BCEERM
C#CC(=O)Nc1ccc(C(=O)[O-])c(O)c1	ZINC000019802354	166109300	/nfs/dbraw/zinc/10/93/00/166109300.db2.gz	SKHZEMMMALUBQD-UHFFFAOYSA-N	-1	0	205.169	0.662	10	30		BCEERM
C#CC(=O)N[C@]1(C(=O)[O-])CCCC[C@@H]1C	ZINC000041037393	166108205	/nfs/dbraw/zinc/10/82/05/166108205.db2.gz	UYUMQAYOKRKRIH-GZMMTYOYSA-N	-1	0	209.245	0.769	10	30		BCEERM
C#CCNC(=O)N[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000070502459	166179328	/nfs/dbraw/zinc/17/93/28/166179328.db2.gz	ADYJVMNHWBACDW-RKDXNWHRSA-N	-1	0	224.260	0.562	10	30		BCEERM
C#CCNC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000019507735	166179453	/nfs/dbraw/zinc/17/94/53/166179453.db2.gz	SYRHMMFGGAIBIY-CYBMUJFWSA-N	-1	0	246.266	0.919	10	30		BCEERM
C#CCNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000019439446	166180042	/nfs/dbraw/zinc/18/00/42/166180042.db2.gz	YQGWRIRQJPFJEC-QMMMGPOBSA-N	-1	0	212.249	0.418	10	30		BCEERM
C#CCNC(=O)c1ccc(C(=O)[O-])c(C)n1	ZINC000035347826	166186493	/nfs/dbraw/zinc/18/64/93/166186493.db2.gz	JXQBDMAXDHZCEF-UHFFFAOYSA-N	-1	0	218.212	0.451	10	30		BCEERM
C=CCNC(=O)C[C@H](C(=O)[O-])c1cccnc1	ZINC000076615835	166373896	/nfs/dbraw/zinc/37/38/96/166373896.db2.gz	KSIBGPYGKZWGDC-JTQLQIEISA-N	-1	0	234.255	0.942	10	30		BCEERM
C=CCNC(=O)N1C[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000040521413	166375903	/nfs/dbraw/zinc/37/59/03/166375903.db2.gz	HQCSJMJGDJVILI-YUMQZZPRSA-N	-1	0	228.248	0.056	10	30		BCEERM
C=CCNC(=O)N1CSC[C@H]1C(=O)[O-]	ZINC000040521287	166376212	/nfs/dbraw/zinc/37/62/12/166376212.db2.gz	CVNAZTIZESRVAQ-LURJTMIESA-N	-1	0	216.262	0.342	10	30		BCEERM
C=CCNC(=O)N[C@H](CCSC)C(=O)[O-]	ZINC000006762822	166381013	/nfs/dbraw/zinc/38/10/13/166381013.db2.gz	AKCFHTHGDUJWFT-SSDOTTSWSA-N	-1	0	232.305	0.678	10	30		BCEERM
C=CCNC(=O)c1cnn(CCC(=O)[O-])c1	ZINC000020325004	166394617	/nfs/dbraw/zinc/39/46/17/166394617.db2.gz	RSEFRLJSLIRNLW-UHFFFAOYSA-N	-1	0	223.232	0.274	10	30		BCEERM
C=CC[C@@H](C(=O)[O-])N1C(=O)CCCC1=O	ZINC000083346454	166428592	/nfs/dbraw/zinc/42/85/92/166428592.db2.gz	IQYWOXLAZVRHEB-ZETCQYMHSA-N	-1	0	211.217	0.555	10	30		BCEERM
C=C[C@H](C(=O)[O-])N1CCO[C@H](C(C)C)C1	ZINC000652420213	411240946	/nfs/dbraw/zinc/24/09/46/411240946.db2.gz	BLCOISRNQGMDNH-ZJUUUORDSA-N	-1	0	213.277	0.982	10	30		BCEERM
CC/N=C1\NC(=O)[C@H](CC(=O)[O-])S1	ZINC000044176214	167862410	/nfs/dbraw/zinc/86/24/10/167862410.db2.gz	GMDQJKDLNWKMOK-BYPYZUCNSA-N	-1	0	202.235	0.069	10	30		BCEERM
CCOC(=O)/C(=N/[O-])c1csc(NC=O)n1	ZINC000100206581	170180461	/nfs/dbraw/zinc/18/04/61/170180461.db2.gz	XSMFAYHFIJWZLH-IZZDOVSWSA-N	-1	0	243.244	0.453	10	30		BCEERM
CN(C(=O)C(=O)[O-])c1cccc(C#N)c1	ZINC000061984410	172294640	/nfs/dbraw/zinc/29/46/40/172294640.db2.gz	VNNYXDZMEPYFHG-UHFFFAOYSA-N	-1	0	204.185	0.606	10	30		BCEERM
CN(CCC#N)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000062134982	172663931	/nfs/dbraw/zinc/66/39/31/172663931.db2.gz	VHZMIIRCZBHYNX-MRVPVSSYSA-N	-1	0	225.248	0.358	10	30		BCEERM
COCCN(CC(=O)[O-])c1cc(C#N)ccn1	ZINC000049607122	174286104	/nfs/dbraw/zinc/28/61/04/174286104.db2.gz	SGFSXRVHZFSPKH-UHFFFAOYSA-N	-1	0	235.243	0.491	10	30		BCEERM
C[C@@H](C#N)CN(C)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000042461544	175595764	/nfs/dbraw/zinc/59/57/64/175595764.db2.gz	QWLXLZYJIGUELF-DTWKUNHWSA-N	-1	0	239.275	0.747	10	30		BCEERM
C[C@@H](S)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000006858554	176006356	/nfs/dbraw/zinc/00/63/56/176006356.db2.gz	SRIPWKGWOAOUEH-PHDIDXHHSA-N	-1	0	203.263	0.380	10	30		BCEERM
C[C@H](O)[C@@H](NC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000019259623	177007258	/nfs/dbraw/zinc/00/72/58/177007258.db2.gz	DSHVUWHLNFAKQC-OIBJUYFYSA-N	-1	0	248.238	0.122	10	30		BCEERM
C[C@H](SCC(=O)NCCC#N)C(=O)[O-]	ZINC000019511343	177026299	/nfs/dbraw/zinc/02/62/99/177026299.db2.gz	NIJMBEURBAPDGH-LURJTMIESA-N	-1	0	216.262	0.223	10	30		BCEERM
Cc1nc(=O)[nH]c(SCC#N)c1C(=O)[O-]	ZINC000037404737	177504890	/nfs/dbraw/zinc/50/48/90/177504890.db2.gz	AAWWVGIHNCGQPB-UHFFFAOYSA-N	-1	0	225.229	0.392	10	30		BCEERM
C#C[C@@H]1CCCN1c1nccnc1C(=O)[O-]	ZINC000757177211	582552320	/nfs/dbraw/zinc/55/23/20/582552320.db2.gz	LCPHOGLTDZISHG-MRVPVSSYSA-N	-1	0	217.228	0.777	10	30		BCEERM
C=CCC[C@@H](NC(=O)c1cnc(C)cn1)C(=O)[O-]	ZINC000262814922	534794588	/nfs/dbraw/zinc/79/45/88/534794588.db2.gz	DQZQIMMZOAORBM-SECBINFHSA-N	-1	0	249.270	0.934	10	30		BCEERM
CC(C)N(CC(=O)[O-])S(=O)(=O)CCC#N	ZINC000263482231	535040033	/nfs/dbraw/zinc/04/00/33/535040033.db2.gz	LFNNCTUFFDPTNJ-UHFFFAOYSA-N	-1	0	234.277	0.025	10	30		BCEERM
O=Cc1cc(C#CC(=O)[O-])cc([N+](=O)[O-])c1	ZINC000757567014	586306474	/nfs/dbraw/zinc/30/64/74/586306474.db2.gz	HNEYQXXWUOSTES-UHFFFAOYSA-N	-1	0	219.152	0.843	10	30		BCEERM
C#C[C@@H](CO)Nc1ncc(Cl)c(C(=O)[O-])n1	ZINC000757175713	586432882	/nfs/dbraw/zinc/43/28/82/586432882.db2.gz	HCHFPEROHWYIJW-YFKPBYRVSA-N	-1	0	241.634	0.234	10	30		BCEERM
COc1ccc(C=O)c(C#CC(=O)[O-])c1O	ZINC000757567377	586461787	/nfs/dbraw/zinc/46/17/87/586461787.db2.gz	IARKEDUJCBMIOZ-UHFFFAOYSA-N	-1	0	220.180	0.649	10	30		BCEERM
COc1cc(C=O)c(C#CC(=O)[O-])cc1O	ZINC000757569050	586462616	/nfs/dbraw/zinc/46/26/16/586462616.db2.gz	SFLSHEORTADOGD-UHFFFAOYSA-N	-1	0	220.180	0.649	10	30		BCEERM
N#Cc1ccc(NCc2nnn[n-]2)cn1	ZINC000122638970	589611574	/nfs/dbraw/zinc/61/15/74/589611574.db2.gz	MTWTWECFAAJUMH-UHFFFAOYSA-N	-1	0	201.193	0.078	10	30		BCEERM
C=CCN(CC(=O)[O-])C(=O)[C@H]1OCC[C@@H]1C	ZINC000122690987	589618910	/nfs/dbraw/zinc/61/89/10/589618910.db2.gz	DHWTXJHRJOHQTP-WPRPVWTQSA-N	-1	0	227.260	0.511	10	30		BCEERM
C=CC[C@@H](NS(=O)(=O)CC1CC1)C(=O)[O-]	ZINC000127542733	590700864	/nfs/dbraw/zinc/70/08/64/590700864.db2.gz	OIJIBXOKEGVNCG-MRVPVSSYSA-N	-1	0	233.289	0.345	10	30		BCEERM
C#CCN(CC)c1ncc(C(=O)[O-])c(C)n1	ZINC000134372536	591923501	/nfs/dbraw/zinc/92/35/01/591923501.db2.gz	OFBCRCKAXXCNJE-UHFFFAOYSA-N	-1	0	219.244	0.943	10	30		BCEERM
CC[C@@H](NN=Cc1cnn(C)c1C)C(=O)[O-]	ZINC000309728021	632661130	/nfs/dbraw/zinc/66/11/30/632661130.db2.gz	DPHAVFFDBCCFII-SECBINFHSA-N	-1	0	224.264	0.515	10	30		BCEERM
C#CC[C@H](NC(=O)[C@@H]1CC[C@H](C)O1)C(=O)[O-]	ZINC000127399299	636506426	/nfs/dbraw/zinc/50/64/26/636506426.db2.gz	SMNDTZWUXABXJJ-CIUDSAMLSA-N	-1	0	225.244	0.147	10	30		BCEERM
C=CCC[C@@H](NC(=O)N(C)C)C(=O)[O-]	ZINC000379656178	712391564	/nfs/dbraw/zinc/39/15/64/712391564.db2.gz	KXBAZIDELISSLK-SSDOTTSWSA-N	-1	0	200.238	0.677	10	30		BCEERM
CC1(C)C(=NNCC(=O)[O-])[C@H]2CCO[C@H]21	ZINC000378669739	712357082	/nfs/dbraw/zinc/35/70/82/712357082.db2.gz	JBOCVXJGZFMQMV-HZGVNTEJSA-N	-1	0	212.249	0.462	10	30		BCEERM
C=CCC[C@H](NC(=O)N(C)C)C(=O)[O-]	ZINC000379656180	712391681	/nfs/dbraw/zinc/39/16/81/712391681.db2.gz	KXBAZIDELISSLK-ZETCQYMHSA-N	-1	0	200.238	0.677	10	30		BCEERM
CC[C@H](C#N)C(=O)N1CCC[C@H]1c1nnn[n-]1	ZINC000720474088	712845430	/nfs/dbraw/zinc/84/54/30/712845430.db2.gz	UJVOZNMORSFEGE-SFYZADRCSA-N	-1	0	234.263	0.413	10	30		BCEERM
C=CCN(C)S(=O)(=O)[C@H]1CCC[C@@H]1C(=O)[O-]	ZINC000234273696	804059588	/nfs/dbraw/zinc/05/95/88/804059588.db2.gz	NCLOTCITFBVZPO-IUCAKERBSA-N	-1	0	247.316	0.687	10	30		BCEERM
N#Cc1nccn1CC(F)(F)C(=O)[O-]	ZINC000685956803	538900908	/nfs/dbraw/zinc/90/09/08/538900908.db2.gz	GGKNXJOYWQPQDC-UHFFFAOYSA-N	-1	0	201.132	0.475	10	30		BCEERM
C=CC[C@H](CO)NCC(F)(F)C(=O)[O-]	ZINC000685955715	538901822	/nfs/dbraw/zinc/90/18/22/538901822.db2.gz	PJMRYINQKKYUQC-ZCFIWIBFSA-N	-1	0	209.192	0.233	10	30		BCEERM
N#Cc1cc(F)ccc1NC(=O)C(=O)[O-]	ZINC000131919743	398212200	/nfs/dbraw/zinc/21/22/00/398212200.db2.gz	DLYDICCXADZILG-UHFFFAOYSA-N	-1	0	208.148	0.720	10	30		BCEERM
C#CCNc1ncc(C(=O)[O-])nc1Cl	ZINC000059750154	342859593	/nfs/dbraw/zinc/85/95/93/342859593.db2.gz	OUHPCGYFXUNFSV-UHFFFAOYSA-N	-1	0	211.608	0.873	10	30		BCEERM
C#CCNC(=O)N[C@](C)(C(=O)[O-])c1ccco1	ZINC000019483508	166181720	/nfs/dbraw/zinc/18/17/20/166181720.db2.gz	FOEAQUPGZCLRDS-NSHDSACASA-N	-1	0	236.227	0.512	10	30		BCEERM
C=C[C@]1(C)CC[C@H]([C@@H](CO)C(=O)[O-])O1	ZINC000040956432	187231600	/nfs/dbraw/zinc/23/16/00/187231600.db2.gz	WLRVIKRNZCNFRS-NQMVMOMDSA-N	-1	0	200.234	0.803	10	30		BCEERM
C=C(Cl)CN1CCN(CC(=O)[O-])CC1	ZINC000035680493	187249608	/nfs/dbraw/zinc/24/96/08/187249608.db2.gz	GYRXSIXPMTVTMU-UHFFFAOYSA-N	-1	0	218.684	0.441	10	30		BCEERM
N#CCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000037494370	187251692	/nfs/dbraw/zinc/25/16/92/187251692.db2.gz	XZRJLGZGMNLNTI-BDAKNGLRSA-N	-1	0	224.260	0.907	10	30		BCEERM
N#Cc1ccc(-n2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC000039370128	187263499	/nfs/dbraw/zinc/26/34/99/187263499.db2.gz	XVZNIJDLDNPBRO-UHFFFAOYSA-N	-1	0	238.206	0.681	10	30		BCEERM
C#CCN[C@@](C)(C(=O)[O-])c1ccncc1	ZINC000041731118	166191161	/nfs/dbraw/zinc/19/11/61/166191161.db2.gz	JZXFDVFKJIZAFS-LLVKDONJSA-N	-1	0	204.229	0.604	10	30		BCEERM
C#CC[N-]C(=O)C(F)(F)Br	ZINC000307572970	343943118	/nfs/dbraw/zinc/94/31/18/343943118.db2.gz	FVOCXOXTWQHVCN-UHFFFAOYSA-N	-1	0	211.993	0.724	10	30		BCEERM
C#CC[C@@H](Nc1ncc(C)cn1)C(=O)[O-]	ZINC000127567666	344564644	/nfs/dbraw/zinc/56/46/44/344564644.db2.gz	BVBUJEUQPCBKDX-MRVPVSSYSA-N	-1	0	205.217	0.673	10	30		BCEERM
C#CC[C@H](Nc1ccnc(C)n1)C(=O)[O-]	ZINC000127578587	344567102	/nfs/dbraw/zinc/56/71/02/344567102.db2.gz	VNHUQPQDNMLYGK-QMMMGPOBSA-N	-1	0	205.217	0.673	10	30		BCEERM
Cc1cc(C#N)cc(CO)c1CC(=O)[O-]	ZINC000396158523	344631814	/nfs/dbraw/zinc/63/18/14/344631814.db2.gz	KYNNAQYRIPUWEO-UHFFFAOYSA-N	-1	0	205.213	0.986	10	30		BCEERM
C[C@H](C(=O)[O-])N(C)c1cnccc1C#N	ZINC000135580145	344759285	/nfs/dbraw/zinc/75/92/85/344759285.db2.gz	DVMZHLPIEMUYMV-SSDOTTSWSA-N	-1	0	205.217	0.863	10	30		BCEERM
C=C[C@@]1(CC(=O)[O-])CCCS(=O)(=O)C1	ZINC000675052723	537859396	/nfs/dbraw/zinc/85/93/96/537859396.db2.gz	IGKCKVRLAUSZGH-VIFPVBQESA-N	-1	0	218.274	0.842	10	30		BCEERM
N#Cc1cc([N+](=O)[O-])cc(CO)c1CC(=O)[O-]	ZINC000514273702	344911514	/nfs/dbraw/zinc/91/15/14/344911514.db2.gz	OHFFNHRSFQCXKN-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
COc1ccc([C@H](O)C(=O)[O-])c(C#N)c1	ZINC000238351599	345027468	/nfs/dbraw/zinc/02/74/68/345027468.db2.gz	ZMMUCYIYIOQKQG-VIFPVBQESA-N	-1	0	207.185	0.685	10	30		BCEERM
C#CCNC(=O)N1CC[C@H](C)[C@H]1C(=O)[O-]	ZINC000227024628	345245843	/nfs/dbraw/zinc/24/58/43/345245843.db2.gz	XPVKQMXAFANNAD-YUMQZZPRSA-N	-1	0	210.233	0.124	10	30		BCEERM
C=CCCC(=O)N1CSC[C@H]1C(=O)[O-]	ZINC000054399620	187317405	/nfs/dbraw/zinc/31/74/05/187317405.db2.gz	PSYINNSPVNZSJG-ZETCQYMHSA-N	-1	0	215.274	0.939	10	30		BCEERM
CC(=O)N[C@@H](CS)c1ocnc1C(=O)[O-]	ZINC000616568145	347443984	/nfs/dbraw/zinc/44/39/84/347443984.db2.gz	DYAOJLZTWWDZLZ-YFKPBYRVSA-N	-1	0	230.245	0.480	10	30		BCEERM
C=C[C@](C)(O)CSC[C@@H](NC(C)=O)C(=O)[O-]	ZINC000077270294	190992929	/nfs/dbraw/zinc/99/29/29/190992929.db2.gz	PXDUOSQTTHCTJP-SCZZXKLOSA-N	-1	0	247.316	0.246	10	30	in-vitro	BCEERM
CC(C)[C@@H](C(=O)[O-])N1CCO[C@@H](C#N)C1	ZINC000226162887	350403863	/nfs/dbraw/zinc/40/38/63/350403863.db2.gz	CPYSQFDRDXHGFI-IUCAKERBSA-N	-1	0	212.249	0.320	10	30		BCEERM
COC1(C(=O)[O-])CCN([C@H](C)C#N)CC1	ZINC000306723751	350891102	/nfs/dbraw/zinc/89/11/02/350891102.db2.gz	HONXHYBQWCBKND-MRVPVSSYSA-N	-1	0	212.249	0.464	10	30		BCEERM
O=C([O-])C#C[C@H]1CCCCS1(=O)=O	ZINC000167979879	351143014	/nfs/dbraw/zinc/14/30/14/351143014.db2.gz	NTYMZMVPIOOQQG-SSDOTTSWSA-N	-1	0	202.231	0.042	10	30		BCEERM
CC#CCNC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000168041078	351268820	/nfs/dbraw/zinc/26/88/20/351268820.db2.gz	OUHBQTPLYCOUHB-QMMMGPOBSA-N	-1	0	210.233	0.126	10	30		BCEERM
N#Cc1cnn(-c2ncc(C(=O)[O-])s2)c1	ZINC000307209337	351609020	/nfs/dbraw/zinc/60/90/20/351609020.db2.gz	KBXYLYRWSQTVFK-UHFFFAOYSA-N	-1	0	220.213	0.899	10	30		BCEERM
C#CC(=O)NCc1cc(C(=O)[O-])ccn1	ZINC000129477971	353136704	/nfs/dbraw/zinc/13/67/04/353136704.db2.gz	LHPIWONCSLHMAG-UHFFFAOYSA-N	-1	0	204.185	0.029	10	30		BCEERM
CC#CC(=O)NC[C@H]1CCC[C@@H]1C(=O)[O-]	ZINC000232619942	353144340	/nfs/dbraw/zinc/14/43/40/353144340.db2.gz	NPOZEDCQPUPHGM-BDAKNGLRSA-N	-1	0	209.245	0.627	10	30		BCEERM
CC#CC(=O)N[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000232634649	353150171	/nfs/dbraw/zinc/15/01/71/353150171.db2.gz	WKWFBWHDJULJMQ-IUCAKERBSA-N	-1	0	209.245	0.769	10	30		BCEERM
C#CCNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000035720967	188233381	/nfs/dbraw/zinc/23/33/81/188233381.db2.gz	VGEMTQHKGSTFPC-IUCAKERBSA-N	-1	0	209.245	0.627	10	30		BCEERM
N#C[C@@H]1CCC[C@@H]1NC(=O)CCC(=O)[O-]	ZINC000061889916	181060116	/nfs/dbraw/zinc/06/01/16/181060116.db2.gz	HGAMUJOTJYINJD-YUMQZZPRSA-N	-1	0	210.233	0.660	10	30		BCEERM
N#Cc1c(N)[n-]c(=O)nc1-c1ccccc1	ZINC000075621321	181073119	/nfs/dbraw/zinc/07/31/19/181073119.db2.gz	RGDOITBMSUVDTL-UHFFFAOYSA-N	-1	0	212.212	0.891	10	30		BCEERM
N#CC1=C([O-])NC(=S)N[C@@H]1Cc1ccccc1	ZINC000097695949	181067189	/nfs/dbraw/zinc/06/71/89/181067189.db2.gz	MLDMNIJSNQJKDZ-NXEZZACHSA-N	-1	0	245.307	0.742	10	30		BCEERM
N#Cc1ccc(CN2C(=O)[N-]C(=O)C2=O)cc1	ZINC000051354718	181102260	/nfs/dbraw/zinc/10/22/60/181102260.db2.gz	RTBAMCOQPFQTNR-UHFFFAOYSA-N	-1	0	229.195	0.977	10	30		BCEERM
N#Cc1ccc(NCc2nnn[n-]2)c(N)c1	ZINC000044925788	181124277	/nfs/dbraw/zinc/12/42/77/181124277.db2.gz	PLUFLAUDBUSCHC-UHFFFAOYSA-N	-1	0	215.220	0.266	10	30		BCEERM
N#Cc1ccc(NCc2nnn[n-]2)c(F)c1	ZINC000044931623	181124572	/nfs/dbraw/zinc/12/45/72/181124572.db2.gz	ALKXWOOPFHULRP-UHFFFAOYSA-N	-1	0	218.195	0.823	10	30		BCEERM
N#Cc1cccc(Cn2[n-]c(=O)ccc2=O)c1	ZINC000019478539	181138810	/nfs/dbraw/zinc/13/88/10/181138810.db2.gz	FQNOPLJTALQAKV-UHFFFAOYSA-N	-1	0	227.223	0.457	10	30		BCEERM
N#Cc1cccnc1-n1ccc(C(=O)[O-])n1	ZINC000045949701	181150577	/nfs/dbraw/zinc/15/05/77/181150577.db2.gz	AHEUCMNXHYZGJO-UHFFFAOYSA-N	-1	0	214.184	0.837	10	30		BCEERM
N#Cc1cn(-c2cccc(F)c2)c(=O)[n-]c1=O	ZINC000039370114	181161079	/nfs/dbraw/zinc/16/10/79/181161079.db2.gz	QCKOONXTQPDUET-UHFFFAOYSA-N	-1	0	231.186	0.949	10	30		BCEERM
N#Cc1ncccc1Cn1cc(C(=O)[O-])cn1	ZINC000061659347	181170887	/nfs/dbraw/zinc/17/08/87/181170887.db2.gz	XMQLMGCZHITHQB-UHFFFAOYSA-N	-1	0	228.211	0.896	10	30		BCEERM
N#Cc1nccnc1N[C@@H](C(=O)[O-])C1CC1	ZINC000054505958	181174894	/nfs/dbraw/zinc/17/48/94/181174894.db2.gz	ZUIGJXNPLWIAOI-MRVPVSSYSA-N	-1	0	218.216	0.623	10	30		BCEERM
C#CC(=O)N1CC[C@@H](CC)C[C@@H]1C(=O)[O-]	ZINC000167625772	356430394	/nfs/dbraw/zinc/43/03/94/356430394.db2.gz	OXMMLAYOTANMKA-RKDXNWHRSA-N	-1	0	209.245	0.721	10	30		BCEERM
CCOC(=O)c1cc(COC)[n-]c(=O)c1C#N	ZINC000675067502	538494403	/nfs/dbraw/zinc/49/44/03/538494403.db2.gz	HOYOWRLINOQFQZ-UHFFFAOYSA-N	-1	0	236.227	0.982	10	30		BCEERM
C#Cc1ccccc1NC(=O)COCC(=O)[O-]	ZINC000675079639	538518669	/nfs/dbraw/zinc/51/86/69/538518669.db2.gz	VQKRJHGOICLWPK-UHFFFAOYSA-N	-1	0	233.223	0.708	10	30		BCEERM
C#CCON=c1nc(N)cc(Br)[n-]1	ZINC000306282881	359516338	/nfs/dbraw/zinc/51/63/38/359516338.db2.gz	IKBQFAFCXNQYPF-UHFFFAOYSA-N	-1	0	243.064	0.798	10	30		BCEERM
NC1=C(Br)C(=O)c2nc[n-]c2C1=O	ZINC000026580278	181336890	/nfs/dbraw/zinc/33/68/90/181336890.db2.gz	DSKFUKWTMSFENJ-UHFFFAOYSA-N	-1	0	242.032	0.354	10	30		BCEERM
N#Cc1c([N+](=O)[O-])ccc(CO)c1CC(=O)[O-]	ZINC000575391102	386960553	/nfs/dbraw/zinc/96/05/53/386960553.db2.gz	GDSIAFKZWJAJIB-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
N#Cc1cc(CC(=O)[O-])c(CO)cc1[N+](=O)[O-]	ZINC000575391109	386962012	/nfs/dbraw/zinc/96/20/12/386962012.db2.gz	HGDWLBGALHZMMI-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
N#Cc1ccc(CO)c(CC(=O)[O-])c1[N+](=O)[O-]	ZINC000575391107	386962686	/nfs/dbraw/zinc/96/26/86/386962686.db2.gz	HASAXTYNNJFPLW-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
COC(=O)Cc1cc([N+](=O)[O-])c([O-])cc1C#N	ZINC000575391903	386963889	/nfs/dbraw/zinc/96/38/89/386963889.db2.gz	USZGEPZOGREQSA-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
C#CC[C@@H](C)NC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000132087051	133662289	/nfs/dbraw/zinc/66/22/89/133662289.db2.gz	FUOWRWKVOBBFNL-ZJUUUORDSA-N	-1	0	238.287	0.904	10	30		BCEERM
CCCC[C@H](NS(=O)(=O)CCC#N)C(=O)[O-]	ZINC000263486068	135357361	/nfs/dbraw/zinc/35/73/61/135357361.db2.gz	MRNZABLHLGEJED-QMMMGPOBSA-N	-1	0	248.304	0.463	10	30		BCEERM
CC(C)C[C@@H](NS(=O)(=O)CCC#N)C(=O)[O-]	ZINC000263541712	135358998	/nfs/dbraw/zinc/35/89/98/135358998.db2.gz	DFYHSZFEAQYOHR-MRVPVSSYSA-N	-1	0	248.304	0.319	10	30		BCEERM
C#CCCNC(=O)N[C@H](CCSC)C(=O)[O-]	ZINC000019509860	166144166	/nfs/dbraw/zinc/14/41/66/166144166.db2.gz	AMHQOJCTZYJQKU-MRVPVSSYSA-N	-1	0	244.316	0.515	10	30		BCEERM
C=CCNC(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000040521356	166374082	/nfs/dbraw/zinc/37/40/82/166374082.db2.gz	UEKIKJXHIXFPHW-QMMMGPOBSA-N	-1	0	212.249	0.821	10	30		BCEERM
C=CCNC(=O)c1ccn([C@@H](C)C(=O)[O-])n1	ZINC000020316624	166393532	/nfs/dbraw/zinc/39/35/32/166393532.db2.gz	VNJGHJZRQJWQFA-ZETCQYMHSA-N	-1	0	223.232	0.445	10	30		BCEERM
C=C[C@@H](C(=O)[O-])N1CCO[C@@H](C(C)C)C1	ZINC000652420212	411240587	/nfs/dbraw/zinc/24/05/87/411240587.db2.gz	BLCOISRNQGMDNH-VHSXEESVSA-N	-1	0	213.277	0.982	10	30		BCEERM
CN(C(=O)CC(=O)[O-])c1cccc(C#N)c1	ZINC000061949304	172300852	/nfs/dbraw/zinc/30/08/52/172300852.db2.gz	CISRQCDJHOWGET-UHFFFAOYSA-N	-1	0	218.212	0.996	10	30		BCEERM
CN(CCC#N)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000040547264	172663247	/nfs/dbraw/zinc/66/32/47/172663247.db2.gz	NBWUIPKOOACYKG-MRVPVSSYSA-N	-1	0	225.248	0.501	10	30		BCEERM
COC1=C[C@@H](C(=O)[O-])N(C(=O)[C@H](C)CS)C1	ZINC000027991150	174014844	/nfs/dbraw/zinc/01/48/44/174014844.db2.gz	XKSAFDJCXPUULT-SVRRBLITSA-N	-1	0	245.300	0.378	10	30		BCEERM
COCCC(=O)Nc1ccccc1/C(N)=N/O	ZINC000053732083	174138095	/nfs/dbraw/zinc/13/80/95/174138095.db2.gz	IXQPTKHFOHZUJX-UHFFFAOYSA-N	-1	0	237.259	0.756	10	30		BCEERM
C[C@@H](Oc1ccc(N)cc1C#N)C(=O)[O-]	ZINC000043623586	176004949	/nfs/dbraw/zinc/00/49/49/176004949.db2.gz	ATPBRROFWZPWFZ-ZCFIWIBFSA-N	-1	0	206.201	0.992	10	30		BCEERM
C[C@H](NOC(=O)Cc1ccccc1)C(=O)[O-]	ZINC000005641246	176885124	/nfs/dbraw/zinc/88/51/24/176885124.db2.gz	JKLCZFBPRATMBX-QMMMGPOBSA-N	-1	0	223.228	0.750	10	30		BCEERM
CCC[C@H](C(=O)[O-])N(OC(C)=O)C(C)=O	ZINC000057347725	520991541	/nfs/dbraw/zinc/99/15/41/520991541.db2.gz	HWJJWDUFYFMJBG-MRVPVSSYSA-N	-1	0	217.221	0.566	10	30		BCEERM
C#C[C@H]1CCCN1c1nccnc1C(=O)[O-]	ZINC000757177214	582552612	/nfs/dbraw/zinc/55/26/12/582552612.db2.gz	LCPHOGLTDZISHG-QMMMGPOBSA-N	-1	0	217.228	0.777	10	30		BCEERM
C=C(Cl)CNCc1cc(C(=O)[O-])nn1C	ZINC000757180006	582553570	/nfs/dbraw/zinc/55/35/70/582553570.db2.gz	QNKDSPXFXBWJLN-UHFFFAOYSA-N	-1	0	229.667	0.960	10	30		BCEERM
C#C[C@H]1CCCN1c1ccc(C(=O)[O-])nn1	ZINC000757180311	582553587	/nfs/dbraw/zinc/55/35/87/582553587.db2.gz	BUPJRGBNHJUOFP-QMMMGPOBSA-N	-1	0	217.228	0.777	10	30		BCEERM
C#C[C@H](CO)Nc1ncc(Cl)c(C(=O)[O-])n1	ZINC000757175712	586432889	/nfs/dbraw/zinc/43/28/89/586432889.db2.gz	HCHFPEROHWYIJW-RXMQYKEDSA-N	-1	0	241.634	0.234	10	30		BCEERM
C#C[C@@H]1CCCN1c1cc(C(=O)[O-])ncn1	ZINC000757177008	586433768	/nfs/dbraw/zinc/43/37/68/586433768.db2.gz	HNADRYGTJOCXBO-MRVPVSSYSA-N	-1	0	217.228	0.777	10	30		BCEERM
COc1nsc(C=O)c1C#CC(=O)[O-]	ZINC000757565666	586461365	/nfs/dbraw/zinc/46/13/65/586461365.db2.gz	AIJAQIMRFATSLP-UHFFFAOYSA-N	-1	0	211.198	0.400	10	30		BCEERM
C#C[C@H](CC)Nc1ccc(C(=O)[O-])nn1	ZINC000229996310	633006703	/nfs/dbraw/zinc/00/67/03/633006703.db2.gz	GXGFYKQDTWLMEG-SSDOTTSWSA-N	-1	0	205.217	0.999	10	30		BCEERM
C#CC[C@H](NC(=O)[C@H]1OCC[C@H]1C)C(=O)[O-]	ZINC000127385827	636028995	/nfs/dbraw/zinc/02/89/95/636028995.db2.gz	IEXSPUFHOVDWCR-VGMNWLOBSA-N	-1	0	225.244	0.004	10	30		BCEERM
C#CC[C@H](NC(=O)[C@@H]1OCC[C@@H]1C)C(=O)[O-]	ZINC000127386523	636498216	/nfs/dbraw/zinc/49/82/16/636498216.db2.gz	IEXSPUFHOVDWCR-XHNCKOQMSA-N	-1	0	225.244	0.004	10	30		BCEERM
C=C(C)CS(=O)(=O)[N-]c1nncs1	ZINC000223440179	640561238	/nfs/dbraw/zinc/56/12/38/640561238.db2.gz	YMFMDZBUJOLECL-UHFFFAOYSA-N	-1	0	219.291	0.856	10	30		BCEERM
CO[C@@H](CNc1ccc(C#N)nc1)C(=O)[O-]	ZINC000227289046	640825324	/nfs/dbraw/zinc/82/53/24/640825324.db2.gz	GXBGYZBSWZSCPC-VIFPVBQESA-N	-1	0	221.216	0.465	10	30		BCEERM
C#C[C@@H](CC)Nc1nccc(C(=O)[O-])n1	ZINC000230022912	641006085	/nfs/dbraw/zinc/00/60/85/641006085.db2.gz	CRTYRNGBGGXKBF-ZETCQYMHSA-N	-1	0	205.217	0.999	10	30		BCEERM
C#CCN(CC)c1nccc(C(=O)[O-])n1	ZINC000231953556	641219842	/nfs/dbraw/zinc/21/98/42/641219842.db2.gz	GKBWZPWYLAUUHE-UHFFFAOYSA-N	-1	0	205.217	0.634	10	30		BCEERM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CC[C@H](C)O1	ZINC000088140509	641317863	/nfs/dbraw/zinc/31/78/63/641317863.db2.gz	OAKUCMQDAXKFPB-IUCAKERBSA-N	-1	0	227.260	0.653	10	30		BCEERM
C#CC(C)(C)Nc1ncncc1C(=O)[O-]	ZINC000300966084	645899839	/nfs/dbraw/zinc/89/98/39/645899839.db2.gz	WDMDPTFIMIFNMA-UHFFFAOYSA-N	-1	0	205.217	0.999	10	30		BCEERM
C#CC[C@@H](NC(=O)N(CC)C(C)C)C(=O)[O-]	ZINC000127906886	136226683	/nfs/dbraw/zinc/22/66/83/136226683.db2.gz	YOZZCYBFOUOUFD-SECBINFHSA-N	-1	0	226.276	0.903	10	30		BCEERM
N#Cc1c[n-]n2c1nc1c(c2=O)CSC1	ZINC000229925414	538948946	/nfs/dbraw/zinc/94/89/46/538948946.db2.gz	TVCFKQTXPHWFEH-UHFFFAOYSA-N	-1	0	218.241	0.641	10	30		BCEERM
CS(=O)(=O)C(C#N)=C([O-])c1cccnc1	ZINC000107830879	539027241	/nfs/dbraw/zinc/02/72/41/539027241.db2.gz	DDXHBUYVZHHVTO-MRVPVSSYSA-N	-1	0	224.241	0.201	10	30		BCEERM
CC#CC(=O)N1[C@H](CC)SC[C@@H]1C(=O)[O-]	ZINC000233923684	342903040	/nfs/dbraw/zinc/90/30/40/342903040.db2.gz	KBQQLBSOHXBQTE-APPZFPTMSA-N	-1	0	227.285	0.774	10	30		BCEERM
C[C@@H]1C[C@@H](C(=O)[O-])[C@@H](C(=O)NCC#N)C1	ZINC000165338380	342914968	/nfs/dbraw/zinc/91/49/68/342914968.db2.gz	QJPADAXXGHOPNJ-BIIVOSGPSA-N	-1	0	210.233	0.373	10	30		BCEERM
C[C@H](/C(N)=N/O)n1cc(Br)cn1	ZINC000043516422	343116156	/nfs/dbraw/zinc/11/61/56/343116156.db2.gz	GXXZOJOYXKVTST-SCSAIBSYSA-N	-1	0	233.069	0.953	10	30		BCEERM
CC#CC(=O)N1[C@@H](CC)SC[C@H]1C(=O)[O-]	ZINC000234055054	343277599	/nfs/dbraw/zinc/27/75/99/343277599.db2.gz	KBQQLBSOHXBQTE-IONNQARKSA-N	-1	0	227.285	0.774	10	30		BCEERM
N#Cc1ccc(-c2nc(C(=O)[O-])no2)nc1	ZINC000082563910	537805862	/nfs/dbraw/zinc/80/58/62/537805862.db2.gz	ROVSEQHQQMINNF-UHFFFAOYSA-N	-1	0	216.156	0.701	10	30		BCEERM
C#C[C@@H](C)Nc1cc(C(=O)[O-])nc(C)n1	ZINC000307469422	343935749	/nfs/dbraw/zinc/93/57/49/343935749.db2.gz	SZYPUZIJQIZTEZ-ZCFIWIBFSA-N	-1	0	205.217	0.917	10	30		BCEERM
CC#CC(=O)N(C)C1(C(=O)[O-])CCCC1	ZINC000307640717	343951732	/nfs/dbraw/zinc/95/17/32/343951732.db2.gz	HDGJGSKFFNNQOL-UHFFFAOYSA-N	-1	0	209.245	0.866	10	30		BCEERM
C#CC(C)(C)Oc1cnc(C(=O)[O-])cn1	ZINC000165994022	344270572	/nfs/dbraw/zinc/27/05/72/344270572.db2.gz	VBQDIXQDTAWVTG-UHFFFAOYSA-N	-1	0	206.201	0.965	10	30		BCEERM
Cc1cc(C#N)c(CO)cc1CC(=O)[O-]	ZINC000396150195	344623283	/nfs/dbraw/zinc/62/32/83/344623283.db2.gz	AQTDNZPZESAVEI-UHFFFAOYSA-N	-1	0	205.213	0.986	10	30		BCEERM
N#Cc1cc(CO)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000396155379	344626838	/nfs/dbraw/zinc/62/68/38/344626838.db2.gz	QGUXBSACMMGLDX-UHFFFAOYSA-N	-1	0	222.156	0.657	10	30		BCEERM
N#Cc1c(C=O)ccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000396163248	344634976	/nfs/dbraw/zinc/63/49/76/344634976.db2.gz	RNZIXZRJGCKFPE-UHFFFAOYSA-N	-1	0	220.140	0.977	10	30		BCEERM
C[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ncn1	ZINC000235101063	344787555	/nfs/dbraw/zinc/78/75/55/344787555.db2.gz	RPPDLBDWDTUPMP-YFKPBYRVSA-N	-1	0	246.679	0.784	10	30		BCEERM
C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C(=O)[O-]	ZINC000235381223	344899213	/nfs/dbraw/zinc/89/92/13/344899213.db2.gz	HZYWQYTYHYZXCC-VXNVDRBHSA-N	-1	0	232.243	0.505	10	30		BCEERM
C#CCNC(=O)N1CC[C@@H](C)[C@@H]1C(=O)[O-]	ZINC000227024609	345245374	/nfs/dbraw/zinc/24/53/74/345245374.db2.gz	XPVKQMXAFANNAD-HTQZYQBOSA-N	-1	0	210.233	0.124	10	30		BCEERM
CS(=O)(=O)C=C([O-])c1ccc(C#N)cc1	ZINC000054929951	345562879	/nfs/dbraw/zinc/56/28/79/345562879.db2.gz	LVIYBDQGRYTAEU-UHFFFAOYSA-N	-1	0	223.253	0.786	10	30		BCEERM
C#C[C@@H](C)NC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000166957433	345961247	/nfs/dbraw/zinc/96/12/47/345961247.db2.gz	JMAJMNKGIRUBLK-SFYZADRCSA-N	-1	0	210.233	0.124	10	30		BCEERM
Cc1nn(C)c(N(CC(=O)[O-])CC2CC2)c1C#N	ZINC000104325392	180352712	/nfs/dbraw/zinc/35/27/12/180352712.db2.gz	NOESONLERCXWRR-UHFFFAOYSA-N	-1	0	248.286	0.901	10	30		BCEERM
N#Cc1ccccc1NC[C@@H](O)C(=O)[O-]	ZINC000106886041	350860583	/nfs/dbraw/zinc/86/05/83/350860583.db2.gz	YPYXAOXBUQOXOA-SECBINFHSA-N	-1	0	206.201	0.416	10	30		BCEERM
N#Cc1ccc(NC[C@@H](O)C(=O)[O-])cc1	ZINC000106886051	350861313	/nfs/dbraw/zinc/86/13/13/350861313.db2.gz	GSYFASJIDYBAAL-SECBINFHSA-N	-1	0	206.201	0.416	10	30		BCEERM
N#CCS(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC000306734619	350902635	/nfs/dbraw/zinc/90/26/35/350902635.db2.gz	VANGWBWOYOBKGD-UHFFFAOYSA-N	-1	0	226.213	0.077	10	30		BCEERM
N#Cc1ccc(S(=O)(=O)NN)c(Cl)c1	ZINC000159921736	351036967	/nfs/dbraw/zinc/03/69/67/351036967.db2.gz	XXJJVGXKDOUSHP-UHFFFAOYSA-N	-1	0	231.664	0.364	10	30		BCEERM
C=CCC(=O)Nc1nccnc1C(=O)[O-]	ZINC000063215918	351282204	/nfs/dbraw/zinc/28/22/04/351282204.db2.gz	RAUZMUZKPRPWBY-UHFFFAOYSA-N	-1	0	207.189	0.689	10	30		BCEERM
CC#CC(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000232586560	353139224	/nfs/dbraw/zinc/13/92/24/353139224.db2.gz	RZWVMJAEOZYYMP-UHFFFAOYSA-N	-1	0	209.245	0.723	10	30		BCEERM
CC#CC(=O)N1[C@@H](C)SC[C@H]1C(=O)[O-]	ZINC000232602471	353143571	/nfs/dbraw/zinc/14/35/71/353143571.db2.gz	CNSPIYFBNXXSEJ-RQJHMYQMSA-N	-1	0	213.258	0.384	10	30		BCEERM
N#CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC000040605440	188117747	/nfs/dbraw/zinc/11/77/47/188117747.db2.gz	MBKNROAITULJJC-HTQZYQBOSA-N	-1	0	210.233	0.517	10	30		BCEERM
N#C[C@@H]1C(C(=O)[O-])=CN=C[C@@H]1OC1CC1	ZINC000095735251	188499901	/nfs/dbraw/zinc/49/99/01/188499901.db2.gz	KKYHWCMMWRGSBM-APPZFPTMSA-N	-1	0	206.201	0.727	10	30		BCEERM
N#CCNC(=O)CC1(C(=O)[O-])CCCC1	ZINC000040605419	181041950	/nfs/dbraw/zinc/04/19/50/181041950.db2.gz	TXAHQNLWSWRJAB-UHFFFAOYSA-N	-1	0	210.233	0.661	10	30		BCEERM
N#CCNS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000040605481	181043427	/nfs/dbraw/zinc/04/34/27/181043427.db2.gz	SWBZEIRVVHFGFE-UHFFFAOYSA-N	-1	0	246.269	0.248	10	30		BCEERM
N#CC1=C([O-])NC(=S)N[C@H]1Cc1ccccc1	ZINC000097695950	181068032	/nfs/dbraw/zinc/06/80/32/181068032.db2.gz	MLDMNIJSNQJKDZ-ZJUUUORDSA-N	-1	0	245.307	0.742	10	30		BCEERM
N#Cc1c(N)[n-]c(=O)c(Br)c1N	ZINC000082295761	181077389	/nfs/dbraw/zinc/07/73/89/181077389.db2.gz	OPVVNCLQSPOKBS-UHFFFAOYSA-N	-1	0	229.037	0.173	10	30		BCEERM
N#Cc1c(N)nc2c(c1C(=O)[O-])CCC2	ZINC000001075208	181077691	/nfs/dbraw/zinc/07/76/91/181077691.db2.gz	FVQXLSUXKOGQKE-UHFFFAOYSA-N	-1	0	203.201	0.722	10	30		BCEERM
N#Cc1cc(C#N)cc(NC(=O)C(=O)[O-])c1	ZINC000137979311	181083209	/nfs/dbraw/zinc/08/32/09/181083209.db2.gz	ABFVAVXWBHLULV-UHFFFAOYSA-N	-1	0	215.168	0.453	10	30		BCEERM
N#Cc1ccnc(NCc2nnn[n-]2)c1	ZINC000044931663	181157289	/nfs/dbraw/zinc/15/72/89/181157289.db2.gz	PPDVPQDTKCSLPD-UHFFFAOYSA-N	-1	0	201.193	0.078	10	30		BCEERM
NC(=N[O-])c1nc2cc([N+](=O)[O-])ccc2o1	ZINC000675057654	538479877	/nfs/dbraw/zinc/47/98/77/538479877.db2.gz	HHBIAEMPRKUAON-UHFFFAOYSA-N	-1	0	222.160	0.831	10	30		BCEERM
Cn1ncc(C(N)=O)c1C#CCCCC(=O)[O-]	ZINC000584638558	358324168	/nfs/dbraw/zinc/32/41/68/358324168.db2.gz	BNEUYAVZGVSCIG-UHFFFAOYSA-N	-1	0	235.243	0.125	10	30		BCEERM
Cn1ncc(C#CC(=O)[O-])c1Br	ZINC000306570273	360454255	/nfs/dbraw/zinc/45/42/55/360454255.db2.gz	YMGGJBBQIDAFGQ-UHFFFAOYSA-N	-1	0	229.033	0.619	10	30		BCEERM
O=C1C=C([O-])c2c(O)cc(O)c(O)c2C1=O	ZINC000101716060	367900100	/nfs/dbraw/zinc/90/01/00/367900100.db2.gz	DBSNTEVHAJLWOY-UHFFFAOYSA-N	-1	0	222.152	0.624	10	30		BCEERM
C#C[C@H](CC)Nc1nccnc1C(=O)[O-]	ZINC000230023128	371636353	/nfs/dbraw/zinc/63/63/53/371636353.db2.gz	VMONHINQOJOYKE-SSDOTTSWSA-N	-1	0	205.217	0.999	10	30		BCEERM
CC#CC(=O)N[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000232628253	372149332	/nfs/dbraw/zinc/14/93/32/372149332.db2.gz	WKWFBWHDJULJMQ-RKDXNWHRSA-N	-1	0	209.245	0.769	10	30		BCEERM
C[C@H](C#N)[S@](=O)c1ccc(C(=O)[O-])o1	ZINC000068984426	373101812	/nfs/dbraw/zinc/10/18/12/373101812.db2.gz	JFWFSCTZYLYFQG-FPHPLZIGSA-N	-1	0	213.214	0.997	10	30		BCEERM
C=C[C@@](C)(O)CSC[C@@H](NC(C)=O)C(=O)[O-]	ZINC000077270287	384064969	/nfs/dbraw/zinc/06/49/69/384064969.db2.gz	PXDUOSQTTHCTJP-PSASIEDQSA-N	-1	0	247.316	0.246	10	30	in-vitro	BCEERM
CCC(NCC(=O)[O-])=C1C(=O)CCCC1=O	ZINC000016037982	384138624	/nfs/dbraw/zinc/13/86/24/384138624.db2.gz	NLHRUOFABYLEQK-UHFFFAOYSA-N	-1	0	225.244	0.647	10	30		BCEERM
O=Cc1ccc(C2=N[S@](=O)O[N-]2)cc1	ZINC000238689522	385260982	/nfs/dbraw/zinc/26/09/82/385260982.db2.gz	XCJIKPHNESBAEQ-CQSZACIVSA-N	-1	0	210.214	0.359	10	30		BCEERM
CCCCC1(C(=O)[O-])N=C(C#N)C(C#N)=N1	ZINC000584616373	385644143	/nfs/dbraw/zinc/64/41/43/385644143.db2.gz	HWBOFTCYDCZELA-UHFFFAOYSA-N	-1	0	218.216	0.900	10	30		BCEERM
C=C(Cl)CN1C(=O)CC[C@H]1C(=O)[O-]	ZINC000061447037	386465538	/nfs/dbraw/zinc/46/55/38/386465538.db2.gz	KKMXFLRBTURZFQ-LURJTMIESA-N	-1	0	203.625	0.815	10	30		BCEERM
C#Cc1c(C(=O)[O-])[nH]c2[nH]ccc(=O)c12	ZINC000095937140	386555023	/nfs/dbraw/zinc/55/50/23/386555023.db2.gz	DDBAYFVTCDMWKH-UHFFFAOYSA-N	-1	0	202.169	0.948	10	30		BCEERM
COC(=O)Cc1cc([O-])c(C#N)cc1[N+](=O)[O-]	ZINC000575391354	386958156	/nfs/dbraw/zinc/95/81/56/386958156.db2.gz	DDXWIRHRHYEMRO-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
N#Cc1ccc([N+](=O)[O-])c(CC(=O)[O-])c1C=O	ZINC000575390924	386960558	/nfs/dbraw/zinc/96/05/58/386960558.db2.gz	JQBXCEFFHWUXJO-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
N#Cc1ccc(CO)c([N+](=O)[O-])c1CC(=O)[O-]	ZINC000575391160	386961843	/nfs/dbraw/zinc/96/18/43/386961843.db2.gz	OWBTUYLAHIHMNM-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
COC(=O)Cc1cc(C#N)c([O-])c([N+](=O)[O-])c1	ZINC000575391952	386964955	/nfs/dbraw/zinc/96/49/55/386964955.db2.gz	YNFIIFBWIRHVAI-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
C=CCN(CC(=O)[O-])C(=O)N1CCOCC1	ZINC000086138106	388682402	/nfs/dbraw/zinc/68/24/02/388682402.db2.gz	RYIOQKWGPPPAGT-UHFFFAOYSA-N	-1	0	228.248	0.011	10	30		BCEERM
C#C[C@H](O)OC(=O)c1ccccc1C(=O)[O-]	ZINC000016123555	533336120	/nfs/dbraw/zinc/33/61/20/533336120.db2.gz	WAUGKQWSQAUKPF-SECBINFHSA-N	-1	0	220.180	0.493	10	30		BCEERM
N#CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000263472011	135356578	/nfs/dbraw/zinc/35/65/78/135356578.db2.gz	ICGMWOSLHHDTFO-MRVPVSSYSA-N	-1	0	246.288	0.169	10	30		BCEERM
CCCC[C@@H](NS(=O)(=O)CCC#N)C(=O)[O-]	ZINC000263553578	135360167	/nfs/dbraw/zinc/36/01/67/135360167.db2.gz	MRNZABLHLGEJED-MRVPVSSYSA-N	-1	0	248.304	0.463	10	30		BCEERM
C=CC[C@@H](NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000274924027	135367039	/nfs/dbraw/zinc/36/70/39/135367039.db2.gz	NNODETUTDLNARU-MRVPVSSYSA-N	-1	0	246.288	0.239	10	30		BCEERM
C#CC(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC000049842056	166109592	/nfs/dbraw/zinc/10/95/92/166109592.db2.gz	LJDNDSQWDXAFTN-SECBINFHSA-N	-1	0	209.245	0.723	10	30		BCEERM
C#CCCNC(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000019505166	166144041	/nfs/dbraw/zinc/14/40/41/166144041.db2.gz	YCPBCYSUFNNIJT-SECBINFHSA-N	-1	0	226.276	0.808	10	30		BCEERM
C#CCCNC(=O)N[C@](C)(CC)C(=O)[O-]	ZINC000019504137	166146124	/nfs/dbraw/zinc/14/61/24/166146124.db2.gz	HLAWOVVTSOCALV-SNVBAGLBSA-N	-1	0	212.249	0.562	10	30		BCEERM
C#CC(=O)N1[C@@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000019474954	166108698	/nfs/dbraw/zinc/10/86/98/166108698.db2.gz	KSGQKRDTZJIKKM-LPEHRKFASA-N	-1	0	221.256	0.864	10	30		BCEERM
C#CC(=O)N[C@H](C(=O)[O-])C1CCCCC1	ZINC000038036270	166108844	/nfs/dbraw/zinc/10/88/44/166108844.db2.gz	GUEPKQXEVOCWDE-JTQLQIEISA-N	-1	0	209.245	0.769	10	30		BCEERM
C#CCNC(=O)N1CCCC[C@@H]1CC(=O)[O-]	ZINC000040520558	166175254	/nfs/dbraw/zinc/17/52/54/166175254.db2.gz	FSCKTHCHSNINAS-SECBINFHSA-N	-1	0	224.260	0.658	10	30		BCEERM
C#CCNC(=O)N[C@@H](C(=O)[O-])C(C)(C)C	ZINC000040520418	166178461	/nfs/dbraw/zinc/17/84/61/166178461.db2.gz	STYIKWBGUUWTAG-ZETCQYMHSA-N	-1	0	212.249	0.418	10	30		BCEERM
C#CCNC(=O)N[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000070502455	166178673	/nfs/dbraw/zinc/17/86/73/166178673.db2.gz	ADYJVMNHWBACDW-DTWKUNHWSA-N	-1	0	224.260	0.562	10	30		BCEERM
C#CCNC(=O)N[C@H](CCSC)C(=O)[O-]	ZINC000019433500	166180707	/nfs/dbraw/zinc/18/07/07/166180707.db2.gz	BANLTVVHDBKVMK-SSDOTTSWSA-N	-1	0	230.289	0.125	10	30		BCEERM
C#CCN[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2	ZINC000051963412	166190637	/nfs/dbraw/zinc/19/06/37/166190637.db2.gz	KAMIWWZYCMUYDX-GFCCVEGCSA-N	-1	0	231.251	0.970	10	30		BCEERM
C#CCN[C@H](C(=O)[O-])c1ccc2c(c1)CCO2	ZINC000051963409	166192287	/nfs/dbraw/zinc/19/22/87/166192287.db2.gz	KAMIWWZYCMUYDX-LBPRGKRZSA-N	-1	0	231.251	0.970	10	30		BCEERM
C#CCN[C@](C)(C(=O)[O-])c1cccc(O)c1	ZINC000051963652	166192297	/nfs/dbraw/zinc/19/22/97/166192297.db2.gz	QUUZOASSFVDXNQ-LBPRGKRZSA-N	-1	0	219.240	0.915	10	30		BCEERM
C=CCNC(=O)[C@H](C)n1cc(C(=O)[O-])cn1	ZINC000020326584	166390881	/nfs/dbraw/zinc/39/08/81/166390881.db2.gz	LRFCDVAVYWOOLH-ZETCQYMHSA-N	-1	0	223.232	0.445	10	30		BCEERM
C=C[C@@H](C(=O)[O-])N1CCO[C@@](C)(C(F)F)C1	ZINC000663315934	411623155	/nfs/dbraw/zinc/62/31/55/411623155.db2.gz	QDEHBJZPTQGABA-OIBJUYFYSA-N	-1	0	235.230	0.982	10	30		BCEERM
C=C[C@H](C(=O)[O-])N1CCO[C@@](C)(C(F)F)C1	ZINC000663315933	411623258	/nfs/dbraw/zinc/62/32/58/411623258.db2.gz	QDEHBJZPTQGABA-GMSGAONNSA-N	-1	0	235.230	0.982	10	30		BCEERM
CC[C@H](C(=O)[O-])N(C)c1c(C#N)c(C)nn1C	ZINC000104306297	171236315	/nfs/dbraw/zinc/23/63/15/171236315.db2.gz	LENWBILEJKFFMJ-SECBINFHSA-N	-1	0	236.275	0.900	10	30		BCEERM
CN(C(=O)NCC(=O)[O-])c1cccc(C#N)c1	ZINC000061984299	172318972	/nfs/dbraw/zinc/31/89/72/172318972.db2.gz	VGZSODYHYKHMLR-UHFFFAOYSA-N	-1	0	233.227	0.789	10	30		BCEERM
CO[C@@H]1C[C@@H](C(=O)[O-])N(c2ccc(C#N)cn2)C1	ZINC000019429473	174772769	/nfs/dbraw/zinc/77/27/69/174772769.db2.gz	BLLBKQXEWBOZGD-ZJUUUORDSA-N	-1	0	247.254	0.632	10	30		BCEERM
COc1cc(N)c(C(=O)[O-])cc1OCC#N	ZINC000037289763	174996276	/nfs/dbraw/zinc/99/62/76/174996276.db2.gz	DWPKZMSZHAJWPJ-UHFFFAOYSA-N	-1	0	222.200	0.878	10	30		BCEERM
C=CC[C@@H](CO)Nc1cnc(C(=O)[O-])cn1	ZINC000263353256	534318774	/nfs/dbraw/zinc/31/87/74/534318774.db2.gz	WFTFACOSBLHHDY-ZETCQYMHSA-N	-1	0	223.232	0.524	10	30		BCEERM
CCOc1ccc(S(=O)([O-])=NC(N)=O)cc1	ZINC000026481451	521183475	/nfs/dbraw/zinc/18/34/75/521183475.db2.gz	PRJVCUKIQQJSEN-UHFFFAOYSA-N	-1	0	244.272	0.647	10	30		BCEERM
Cc1cc(F)ccc1S(=O)(=O)[N-]C(N)=O	ZINC000026481563	524998352	/nfs/dbraw/zinc/99/83/52/524998352.db2.gz	LNQFVFLFWQYOFQ-UHFFFAOYSA-N	-1	0	232.236	0.696	10	30		BCEERM
C[C@H](S)C(=O)N1CSC[C@@H]1C(=O)[O-]	ZINC000039339757	581095504	/nfs/dbraw/zinc/09/55/04/581095504.db2.gz	LXQJJKNBGQICEQ-CRCLSJGQSA-N	-1	0	221.303	0.291	10	30		BCEERM
C#C[C@@H](CC)Nc1ncncc1C(=O)[O-]	ZINC000300815817	582610851	/nfs/dbraw/zinc/61/08/51/582610851.db2.gz	CNBAXKQADHNQFB-ZETCQYMHSA-N	-1	0	205.217	0.999	10	30		BCEERM
COc1cc(C#CC(=O)[O-])c(C=O)cc1OC	ZINC000757566821	586461488	/nfs/dbraw/zinc/46/14/88/586461488.db2.gz	GNIKDKQPKAUCGD-UHFFFAOYSA-N	-1	0	234.207	0.952	10	30		BCEERM
Cc1cc(C#CC(=O)[O-])cc(C=O)c1O	ZINC000757568408	586462116	/nfs/dbraw/zinc/46/21/16/586462116.db2.gz	MDSQBOILPDKORX-UHFFFAOYSA-N	-1	0	204.181	0.949	10	30		BCEERM
C=CC[C@H](NS(=O)(=O)CC1CC1)C(=O)[O-]	ZINC000127542526	590703833	/nfs/dbraw/zinc/70/38/33/590703833.db2.gz	OIJIBXOKEGVNCG-QMMMGPOBSA-N	-1	0	233.289	0.345	10	30		BCEERM
NCC(=O)[N-]S(=O)(=O)CCc1ccccc1	ZINC000082307442	635615551	/nfs/dbraw/zinc/61/55/51/635615551.db2.gz	VXQGKQJRRJDMNN-UHFFFAOYSA-N	-1	0	242.300	0.474	10	30		BCEERM
C#CC(C)(C)Nc1nccnc1C(=O)[O-]	ZINC000069683873	642895359	/nfs/dbraw/zinc/89/53/59/642895359.db2.gz	PWVVVVLHOCNZGS-UHFFFAOYSA-N	-1	0	205.217	0.999	10	30		BCEERM
C=CCn1cc(-c2cn([C@@H](C)C(=O)[O-])nn2)cn1	ZINC000095376099	644746981	/nfs/dbraw/zinc/74/69/81/644746981.db2.gz	CIZSDIJIGLDXPE-QMMMGPOBSA-N	-1	0	247.258	0.973	10	30		BCEERM
C=CCn1cc(-c2cn([C@H](C)C(=O)[O-])nn2)cn1	ZINC000095376100	644747297	/nfs/dbraw/zinc/74/72/97/644747297.db2.gz	CIZSDIJIGLDXPE-MRVPVSSYSA-N	-1	0	247.258	0.973	10	30		BCEERM
C[C@H](C#N)CN(C)CC(F)(F)C(=O)[O-]	ZINC000685957929	538905603	/nfs/dbraw/zinc/90/56/03/538905603.db2.gz	LPMPBMVPQHPYPQ-ZCFIWIBFSA-N	-1	0	206.192	0.798	10	30		BCEERM
N#CCN(CC#N)CC(F)(F)C(=O)[O-]	ZINC000685958444	538906101	/nfs/dbraw/zinc/90/61/01/538906101.db2.gz	ZTEWICANANJEQR-UHFFFAOYSA-N	-1	0	203.148	0.055	10	30		BCEERM
O=C([O-])C#C[C@@H]1COc2ccccc2O1	ZINC000070836000	361780980	/nfs/dbraw/zinc/78/09/80/361780980.db2.gz	ALTUEHILSLSAPI-MRVPVSSYSA-N	-1	0	204.181	0.914	10	30		BCEERM
C#CC(C)(C)Oc1nccc(C(=O)[O-])n1	ZINC000231957459	398254775	/nfs/dbraw/zinc/25/47/75/398254775.db2.gz	YRYGBNILHVFJOZ-UHFFFAOYSA-N	-1	0	206.201	0.965	10	30		BCEERM
C#Cc1cccc(NC(=O)COCC(=O)[O-])c1	ZINC000041072555	538974493	/nfs/dbraw/zinc/97/44/93/538974493.db2.gz	CFPRCAUHNQWMBC-UHFFFAOYSA-N	-1	0	233.223	0.708	10	30		BCEERM
NS(=O)(=O)[N-]C(=O)C1CCCCC1	ZINC000038812818	342894503	/nfs/dbraw/zinc/89/45/03/342894503.db2.gz	XOMAOWUFPNYBRT-UHFFFAOYSA-N	-1	0	206.267	0.727	10	30		BCEERM
Cc1nn(C)cc1C[C@@H](S)C(=O)[O-]	ZINC000128568406	349765169	/nfs/dbraw/zinc/76/51/69/349765169.db2.gz	ZORGGLYBRNBICA-SSDOTTSWSA-N	-1	0	200.263	0.654	10	30		BCEERM
C#Cc1cccc(NC[C@H](O)C(=O)[O-])c1	ZINC000306670422	362034182	/nfs/dbraw/zinc/03/41/82/362034182.db2.gz	LVXYENZPINDGBR-JTQLQIEISA-N	-1	0	205.213	0.525	10	30		BCEERM
CC#CC(=O)N1[C@@H](CC)SC[C@@H]1C(=O)[O-]	ZINC000234066913	343297407	/nfs/dbraw/zinc/29/74/07/343297407.db2.gz	KBQQLBSOHXBQTE-VXNVDRBHSA-N	-1	0	227.285	0.774	10	30		BCEERM
C#CCN[C@@H](C(=O)[O-])c1cccc(O)c1	ZINC000051963271	166191453	/nfs/dbraw/zinc/19/14/53/166191453.db2.gz	KHFSBKVCAVFHHN-SNVBAGLBSA-N	-1	0	205.213	0.741	10	30		BCEERM
C=CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)CC	ZINC000381044439	343885702	/nfs/dbraw/zinc/88/57/02/343885702.db2.gz	FIISPGRRHHMBNH-BDAKNGLRSA-N	-1	0	249.332	0.981	10	30		BCEERM
C#CC(C)(C)Oc1cc(C(=O)[O-])ncn1	ZINC000307290958	343918637	/nfs/dbraw/zinc/91/86/37/343918637.db2.gz	LALNSBHVIIWVFX-UHFFFAOYSA-N	-1	0	206.201	0.965	10	30		BCEERM
N#Cc1c(-c2cccs2)nc(N)[n-]c1=O	ZINC000139728230	344436507	/nfs/dbraw/zinc/43/65/07/344436507.db2.gz	KTWFIJNTJWWGHD-UHFFFAOYSA-N	-1	0	218.241	0.952	10	30		BCEERM
N#Cc1c(CO)cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000396145591	344619193	/nfs/dbraw/zinc/61/91/93/344619193.db2.gz	UALWAZNYXCENOV-UHFFFAOYSA-N	-1	0	222.156	0.657	10	30		BCEERM
Cc1cc[nH]c(=NOCC(=O)[O-])c1C#N	ZINC000135591447	344767574	/nfs/dbraw/zinc/76/75/74/344767574.db2.gz	PKHVCAPDEBGYTQ-UHFFFAOYSA-N	-1	0	207.189	0.690	10	30		BCEERM
N#Cc1cc([N+](=O)[O-])c(CC(=O)[O-])cc1C=O	ZINC000514275426	344911450	/nfs/dbraw/zinc/91/14/50/344911450.db2.gz	HDRSUKKRQUTCAG-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
C#C[C@H](C)Oc1nc[n-]c(=O)c1Br	ZINC000235535863	344933296	/nfs/dbraw/zinc/93/32/96/344933296.db2.gz	PJQYBZAGICEKOT-YFKPBYRVSA-N	-1	0	243.060	0.933	10	30		BCEERM
C#CCNC(=O)N1CC[C@@H](C)[C@H]1C(=O)[O-]	ZINC000227024620	345245394	/nfs/dbraw/zinc/24/53/94/345245394.db2.gz	XPVKQMXAFANNAD-SFYZADRCSA-N	-1	0	210.233	0.124	10	30		BCEERM
C=CC[C@]1(C(=O)[O-])CCS(=O)(=O)C1	ZINC000167443921	346247985	/nfs/dbraw/zinc/24/79/85/346247985.db2.gz	UISODZMGTLGGFA-QMMMGPOBSA-N	-1	0	204.247	0.452	10	30		BCEERM
N#Cc1ccc(CCc2cc(=O)c(O)n[n-]2)cc1	ZINC000205768403	348589471	/nfs/dbraw/zinc/58/94/71/348589471.db2.gz	ODAJAZMNOCKMGG-UHFFFAOYSA-N	-1	0	241.250	0.720	10	30		BCEERM
C=C[C@H](C(=O)[O-])n1cc(S(C)(=O)=O)cn1	ZINC000725251197	538029498	/nfs/dbraw/zinc/02/94/98/538029498.db2.gz	YUVVYMXUVHXTSL-SSDOTTSWSA-N	-1	0	230.245	0.098	10	30		BCEERM
C#CCCC(=O)Nc1ncc(C(=O)[O-])o1	ZINC000725256561	538057540	/nfs/dbraw/zinc/05/75/40/538057540.db2.gz	UUJXJGIISHDKBB-UHFFFAOYSA-N	-1	0	208.173	0.725	10	30		BCEERM
C#CCN(C)c1c(C(=O)[O-])c(C)nn1C	ZINC000130487063	362977786	/nfs/dbraw/zinc/97/77/86/362977786.db2.gz	JPHOJJRBHRJHMJ-UHFFFAOYSA-N	-1	0	207.233	0.496	10	30		BCEERM
CCCCCCCC(=O)N[C@@H](O)C(=O)[O-]	ZINC000138031079	168647382	/nfs/dbraw/zinc/64/73/82/168647382.db2.gz	HBGXZSWRZZHJKJ-VIFPVBQESA-N	-1	0	217.265	0.866	10	30		BCEERM
C#CCC(=O)N1CCC[C@H](C(=O)[O-])[C@H]1C	ZINC000306679161	350834244	/nfs/dbraw/zinc/83/42/44/350834244.db2.gz	HXSIKRUGMIMUFI-BDAKNGLRSA-N	-1	0	209.245	0.721	10	30		BCEERM
C#CCNc1cc(C(=O)[O-])nc(Cl)n1	ZINC000306860221	351206082	/nfs/dbraw/zinc/20/60/82/351206082.db2.gz	DPLMTSGXJONHCB-UHFFFAOYSA-N	-1	0	211.608	0.873	10	30		BCEERM
Cn1[n-]nn/c1=N\N=C\c1ccccc1	ZINC000006494461	180606654	/nfs/dbraw/zinc/60/66/54/180606654.db2.gz	CRYWPMSMTIFAGJ-JXMROGBWSA-N	-1	0	202.221	0.078	10	30		BCEERM
C#CCON=c1ncc(C(=O)[O-])c(C)[nH]1	ZINC000307227931	351672251	/nfs/dbraw/zinc/67/22/51/351672251.db2.gz	GGAGZDCRZYGONX-UHFFFAOYSA-N	-1	0	207.189	0.460	10	30		BCEERM
Cc1nn(C)c(C)c1/C=C/C(=O)C(=O)[O-]	ZINC000232307059	352611918	/nfs/dbraw/zinc/61/19/18/352611918.db2.gz	NWGOZCYQAVVCTF-SNAWJCMRSA-N	-1	0	208.217	0.704	10	30		BCEERM
N#Cc1cnn(-c2nc[n-]c(=O)c2Cl)c1	ZINC000307543128	352645239	/nfs/dbraw/zinc/64/52/39/352645239.db2.gz	RAHQULGQALZFFG-UHFFFAOYSA-N	-1	0	221.607	0.893	10	30		BCEERM
C#C[C@H](O)COc1ccc(C(=O)[O-])cc1	ZINC000014443499	188082066	/nfs/dbraw/zinc/08/20/66/188082066.db2.gz	BHYJLEDUCTYKHX-VIFPVBQESA-N	-1	0	206.197	0.758	10	30		BCEERM
C=CCC(=O)N1CSC[C@H]1C(=O)[O-]	ZINC000054399623	188176997	/nfs/dbraw/zinc/17/69/97/188176997.db2.gz	NYKFMBOMWSIYDC-LURJTMIESA-N	-1	0	201.247	0.549	10	30		BCEERM
C=CCC(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000054399640	188177474	/nfs/dbraw/zinc/17/74/74/188177474.db2.gz	DUNVGMZTDHZPJW-SFYZADRCSA-N	-1	0	213.233	0.263	10	30		BCEERM
N#CCCNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000037494372	181038314	/nfs/dbraw/zinc/03/83/14/181038314.db2.gz	XZRJLGZGMNLNTI-IUCAKERBSA-N	-1	0	224.260	0.907	10	30		BCEERM
N#CCN(CC#N)c1cccc(C(=O)[O-])n1	ZINC000051042006	181040725	/nfs/dbraw/zinc/04/07/25/181040725.db2.gz	ZSAOAVXYRKFKCF-UHFFFAOYSA-N	-1	0	216.200	0.633	10	30		BCEERM
N#C[C@@H](C(=O)NCc1nnn[n-]1)c1ccccc1	ZINC000061615344	181054705	/nfs/dbraw/zinc/05/47/05/181054705.db2.gz	UQUMBSVHJUECPV-SECBINFHSA-N	-1	0	242.242	0.123	10	30		BCEERM
CC#CCn1c(C)ccc(C(=O)[O-])c1=O	ZINC000061449908	188582890	/nfs/dbraw/zinc/58/28/90/188582890.db2.gz	ATBUPDWDEDPTFS-UHFFFAOYSA-N	-1	0	205.213	0.878	10	30		BCEERM
C=CCNC(=O)[C@H](CC(=O)[O-])c1cccnc1	ZINC000076615820	166390975	/nfs/dbraw/zinc/39/09/75/166390975.db2.gz	REBVQUFEZQKSCU-SNVBAGLBSA-N	-1	0	234.255	0.942	10	30		BCEERM
N#Cc1cn(-c2ccccc2C#N)c(=O)[n-]c1=O	ZINC000039370124	181144045	/nfs/dbraw/zinc/14/40/45/181144045.db2.gz	YQDLPQDOZCYCRK-UHFFFAOYSA-N	-1	0	238.206	0.681	10	30		BCEERM
C#CCONc1nc[n-]c(=O)c1Br	ZINC000306222753	359344524	/nfs/dbraw/zinc/34/45/24/359344524.db2.gz	XHANVEFCZYHHOR-UHFFFAOYSA-N	-1	0	244.048	0.921	10	30		BCEERM
C=C(CN1C(=O)CCCCC1=O)C(=O)[O-]	ZINC000069907337	361003511	/nfs/dbraw/zinc/00/35/11/361003511.db2.gz	CMODRFYXKFFXRN-UHFFFAOYSA-N	-1	0	211.217	0.556	10	30		BCEERM
N#Cc1cc(N2CC(C(=O)[O-])C2)ccn1	ZINC000070569465	361564411	/nfs/dbraw/zinc/56/44/11/361564411.db2.gz	LISWNBCDNLEZCG-UHFFFAOYSA-N	-1	0	203.201	0.474	10	30		BCEERM
C[C@H](C#N)N1CCSC[C@@H]1C(=O)[O-]	ZINC000126743534	371548917	/nfs/dbraw/zinc/54/89/17/371548917.db2.gz	CQTNWVGHYFZUFM-RNFRBKRXSA-N	-1	0	200.263	0.400	10	30		BCEERM
C[C@H](C#N)S(=O)(=O)[N-]c1ccnc(Cl)n1	ZINC000161799048	371565895	/nfs/dbraw/zinc/56/58/95/371565895.db2.gz	XQSLBJXGUZHDDA-RXMQYKEDSA-N	-1	0	246.679	0.784	10	30		BCEERM
Cc1nnc([N-]S(=O)(=O)[C@H](C)C#N)o1	ZINC000131389066	371597228	/nfs/dbraw/zinc/59/72/28/371597228.db2.gz	ZOOKPPXGLSOFPI-SCSAIBSYSA-N	-1	0	216.222	0.032	10	30		BCEERM
C#C[C@H](CC)Nc1nnccc1C(=O)[O-]	ZINC000230023137	371636722	/nfs/dbraw/zinc/63/67/22/371636722.db2.gz	QAFNIYNXGOTAFY-SSDOTTSWSA-N	-1	0	205.217	0.999	10	30		BCEERM
C#C[C@@H](C)NC(=O)c1cc(C(=O)[O-])on1	ZINC000230053976	371641998	/nfs/dbraw/zinc/64/19/98/371641998.db2.gz	SXGGHEODUUEPLW-RXMQYKEDSA-N	-1	0	208.173	0.124	10	30		BCEERM
CC[C@@H](C(=O)[O-])n1cnc(C#N)c1C#N	ZINC000163336806	371977220	/nfs/dbraw/zinc/97/72/20/371977220.db2.gz	MUQKJURKDNQCFU-ZETCQYMHSA-N	-1	0	204.189	0.662	10	30		BCEERM
C#CCN(C)c1ncc(C(=O)[O-])c(C)n1	ZINC000134372503	372200344	/nfs/dbraw/zinc/20/03/44/372200344.db2.gz	CDOREFQAEHQVNF-UHFFFAOYSA-N	-1	0	205.217	0.553	10	30		BCEERM
N#CC1([N-]S(=O)(=O)C(F)F)CCCC1	ZINC000040364394	373209292	/nfs/dbraw/zinc/20/92/92/373209292.db2.gz	KJQRCHFICUXOAI-UHFFFAOYSA-N	-1	0	224.232	0.965	10	30		BCEERM
O=C([O-])[C@H](CS)NC(=O)c1ccccc1O	ZINC000026726521	182287176	/nfs/dbraw/zinc/28/71/76/182287176.db2.gz	BYLCIVKSBQQAPK-ZETCQYMHSA-N	-1	0	241.268	0.505	10	30		BCEERM
CCCN(CC(=O)[O-])CC(=O)N(C)CCC#N	ZINC000038021816	169097794	/nfs/dbraw/zinc/09/77/94/169097794.db2.gz	FHDVVZVYIDOJDW-UHFFFAOYSA-N	-1	0	241.291	0.155	10	30		BCEERM
CCC[C@@H](C#N)C(=O)N[C@H](C)c1nnn[n-]1	ZINC000044932970	169342525	/nfs/dbraw/zinc/34/25/25/169342525.db2.gz	QTJGGLZKWSZMNP-RQJHMYQMSA-N	-1	0	222.252	0.317	10	30		BCEERM
CCC[C@@H](C#N)C(=O)N[C@@H](C)c1nnn[n-]1	ZINC000044932967	169342755	/nfs/dbraw/zinc/34/27/55/169342755.db2.gz	QTJGGLZKWSZMNP-BQBZGAKWSA-N	-1	0	222.252	0.317	10	30		BCEERM
C#CC(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC000019425589	532983629	/nfs/dbraw/zinc/98/36/29/532983629.db2.gz	WRZWZOCAYBFQFT-SNVBAGLBSA-N	-1	0	231.207	0.498	10	30		BCEERM
CC(=O)NCCC1=CC(=O)C(=O)C=C1[O-]	ZINC000100045719	384613138	/nfs/dbraw/zinc/61/31/38/384613138.db2.gz	LZVQOOYPLKWWIC-UHFFFAOYSA-N	-1	0	209.201	0.033	10	30		BCEERM
N#Cc1c(F)cc([C@H](O)C(=O)[O-])cc1F	ZINC000260068008	385662997	/nfs/dbraw/zinc/66/29/97/385662997.db2.gz	HBHZOEBXGHZYFK-QMMMGPOBSA-N	-1	0	213.139	0.954	10	30		BCEERM
N#Cc1cc(CC(=O)[O-])c([N+](=O)[O-])cc1C=O	ZINC000575391308	386959104	/nfs/dbraw/zinc/95/91/04/386959104.db2.gz	TYDWKDJDCYHWBW-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
COC(=O)Cc1cc([O-])cc([N+](=O)[O-])c1C#N	ZINC000575391482	388595962	/nfs/dbraw/zinc/59/59/62/388595962.db2.gz	JIQWPVMNTSQDMH-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
CC(C)(C)OC(=O)[N-]S(=O)(=O)C1(C=O)CC1	ZINC000113548252	388699557	/nfs/dbraw/zinc/69/95/57/388699557.db2.gz	SHRAAPJUZKMNEU-UHFFFAOYSA-N	-1	0	249.288	0.572	10	30		BCEERM
C=C(C)CS(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000263185821	533521922	/nfs/dbraw/zinc/52/19/22/533521922.db2.gz	UVYNLYNRJPUQQR-RKDXNWHRSA-N	-1	0	247.316	0.545	10	30		BCEERM
C=C(C)COCCNC(=O)[C@H]1CC[C@@H]1C(=O)[O-]	ZINC000262176089	135284116	/nfs/dbraw/zinc/28/41/16/135284116.db2.gz	QSTKCDOHSNNJAI-UWVGGRQHSA-N	-1	0	241.287	0.806	10	30		BCEERM
N#Cc1cccc(C#N)c1N1CC(C(=O)[O-])C1	ZINC000263552801	135359406	/nfs/dbraw/zinc/35/94/06/135359406.db2.gz	MDEINFPICCGJBB-UHFFFAOYSA-N	-1	0	227.223	0.951	10	30		BCEERM
C#CC(=O)N1CCc2cc(C(=O)[O-])ccc21	ZINC000034961987	166109209	/nfs/dbraw/zinc/10/92/09/166109209.db2.gz	TVAKFSCUJUHNKL-UHFFFAOYSA-N	-1	0	215.208	0.907	10	30		BCEERM
C#CC(=O)N[C@@]1(C(=O)[O-])CCCC[C@H]1C	ZINC000041037394	166109552	/nfs/dbraw/zinc/10/95/52/166109552.db2.gz	UYUMQAYOKRKRIH-KCJUWKMLSA-N	-1	0	209.245	0.769	10	30		BCEERM
C#CCCNC(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000019509862	166144133	/nfs/dbraw/zinc/14/41/33/166144133.db2.gz	AMHQOJCTZYJQKU-QMMMGPOBSA-N	-1	0	244.316	0.515	10	30		BCEERM
C#CC(=O)NC1(C(=O)[O-])CCC(C)CC1	ZINC000036947175	166108116	/nfs/dbraw/zinc/10/81/16/166108116.db2.gz	WFLZNKCEDUSHGN-UHFFFAOYSA-N	-1	0	209.245	0.769	10	30		BCEERM
C#CCNC(=O)COc1ccc(C(=O)[O-])cc1	ZINC000019519128	166172851	/nfs/dbraw/zinc/17/28/51/166172851.db2.gz	SAJCHSHJQLQMNE-UHFFFAOYSA-N	-1	0	233.223	0.513	10	30		BCEERM
C#CCN[C@@](C)(C(=O)[O-])c1cccc(O)c1	ZINC000051963650	166190796	/nfs/dbraw/zinc/19/07/96/166190796.db2.gz	QUUZOASSFVDXNQ-GFCCVEGCSA-N	-1	0	219.240	0.915	10	30		BCEERM
C#CCN[C@](C)(C(=O)[O-])c1ccncc1	ZINC000041731121	166192589	/nfs/dbraw/zinc/19/25/89/166192589.db2.gz	JZXFDVFKJIZAFS-NSHDSACASA-N	-1	0	204.229	0.604	10	30		BCEERM
C=CCNC(=O)CS[C@H](C)C(=O)[O-]	ZINC000019519727	166372267	/nfs/dbraw/zinc/37/22/67/166372267.db2.gz	LKKMOTKPNZTQCC-ZCFIWIBFSA-N	-1	0	203.263	0.495	10	30		BCEERM
C=CCNC(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000040521354	166373888	/nfs/dbraw/zinc/37/38/88/166373888.db2.gz	UEKIKJXHIXFPHW-MRVPVSSYSA-N	-1	0	212.249	0.821	10	30		BCEERM
C=CCNC(=O)c1ncccc1C(=O)[O-]	ZINC000040803006	166395653	/nfs/dbraw/zinc/39/56/53/166395653.db2.gz	ZWRQANCVXPBVTG-UHFFFAOYSA-N	-1	0	206.201	0.696	10	30		BCEERM
C=CCNC(=O)c1ccncc1C(=O)[O-]	ZINC000083238199	166395962	/nfs/dbraw/zinc/39/59/62/166395962.db2.gz	DYTSZBJMCOZMOU-UHFFFAOYSA-N	-1	0	206.201	0.696	10	30		BCEERM
CC(C)[C@@H](Nc1nccnc1C#N)C(=O)[O-]	ZINC000054376724	167437343	/nfs/dbraw/zinc/43/73/43/167437343.db2.gz	NKIAQLHTWOSMRL-MRVPVSSYSA-N	-1	0	220.232	0.869	10	30		BCEERM
CN(C(=O)C(=O)[O-])c1ccc(C#N)cc1	ZINC000061984401	172295149	/nfs/dbraw/zinc/29/51/49/172295149.db2.gz	NLHNMXLCKKUOOX-UHFFFAOYSA-N	-1	0	204.185	0.606	10	30		BCEERM
CN(CCC#N)C(=O)c1ccc(C(=O)[O-])cn1	ZINC000035232900	172665780	/nfs/dbraw/zinc/66/57/80/172665780.db2.gz	MPEKDROIKRVTHG-UHFFFAOYSA-N	-1	0	233.227	0.765	10	30		BCEERM
CN(CCC#N)C(=O)N1CSC[C@H]1C(=O)[O-]	ZINC000040547254	172665799	/nfs/dbraw/zinc/66/57/99/172665799.db2.gz	RWKHUXUVGUUVIS-ZETCQYMHSA-N	-1	0	243.288	0.411	10	30		BCEERM
C[C@]1(c2ccncc2)OC(C(=O)[O-])=CC1=O	ZINC000035323933	177480812	/nfs/dbraw/zinc/48/08/12/177480812.db2.gz	SQWDXFDBQKZMNN-LLVKDONJSA-N	-1	0	219.196	0.865	10	30		BCEERM
C#CCN(C)c1ncc(Cl)c(C(=O)[O-])n1	ZINC000757176771	582552324	/nfs/dbraw/zinc/55/23/24/582552324.db2.gz	BVVBQZCDALCGHB-UHFFFAOYSA-N	-1	0	225.635	0.898	10	30		BCEERM
C=CC[C@@H](NC(=O)N1CCSCC1)C(=O)[O-]	ZINC000127902796	534320456	/nfs/dbraw/zinc/32/04/56/534320456.db2.gz	VJXYYHGUUGIERP-MRVPVSSYSA-N	-1	0	244.316	0.774	10	30		BCEERM
Cc1cc(S(=O)([O-])=NC(N)=O)ccc1F	ZINC000026481571	525389484	/nfs/dbraw/zinc/38/94/84/525389484.db2.gz	GYFUNMSYILDUEP-UHFFFAOYSA-N	-1	0	232.236	0.696	10	30		BCEERM
C#C[C@@H]1CCCN1c1ccc(C(=O)[O-])nn1	ZINC000757180306	582553631	/nfs/dbraw/zinc/55/36/31/582553631.db2.gz	BUPJRGBNHJUOFP-MRVPVSSYSA-N	-1	0	217.228	0.777	10	30		BCEERM
CC(=O)Nc1cc(C#CC(=O)[O-])ccc1C=O	ZINC000757566043	586305229	/nfs/dbraw/zinc/30/52/29/586305229.db2.gz	DJSRQFQCMJOBAQ-UHFFFAOYSA-N	-1	0	231.207	0.894	10	30		BCEERM
O=Cc1cc(C#CC(=O)[O-])cc2c1OCC2	ZINC000757567386	586461564	/nfs/dbraw/zinc/46/15/64/586461564.db2.gz	INABGWGUXJIAFS-UHFFFAOYSA-N	-1	0	216.192	0.870	10	30		BCEERM
C#CCNc1ncc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000236453155	632941338	/nfs/dbraw/zinc/94/13/38/632941338.db2.gz	MJAWZHOIGBYIQF-UHFFFAOYSA-N	-1	0	221.172	0.733	10	30		BCEERM
C=CC[C@@H](CO)NCC(F)(F)C(=O)[O-]	ZINC000685955714	538901606	/nfs/dbraw/zinc/90/16/06/538901606.db2.gz	PJMRYINQKKYUQC-LURJTMIESA-N	-1	0	209.192	0.233	10	30		BCEERM
O=C([O-])C#C[C@H]1COc2ccccc2O1	ZINC000070835997	361780976	/nfs/dbraw/zinc/78/09/76/361780976.db2.gz	ALTUEHILSLSAPI-QMMMGPOBSA-N	-1	0	204.181	0.914	10	30		BCEERM
O=C([O-])C#Cc1cccc2c1OCCO2	ZINC000070835678	361780260	/nfs/dbraw/zinc/78/02/60/361780260.db2.gz	WISWSQYCROKGKZ-UHFFFAOYSA-N	-1	0	204.181	0.894	10	30		BCEERM
C=CC[N@@H+](C)[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC000649452524	398254562	/nfs/dbraw/zinc/25/45/62/398254562.db2.gz	CAVRLUPOLCQVNU-JTQLQIEISA-N	-1	0	240.303	0.570	10	30		BCEERM
Cc1cc(C#N)cc(=NOCC(=O)[O-])[nH]1	ZINC000157560565	342803514	/nfs/dbraw/zinc/80/35/14/342803514.db2.gz	IQFDSGGAABSBQC-UHFFFAOYSA-N	-1	0	207.189	0.690	10	30		BCEERM
C#C[C@@H](CC)Nc1cncc(C(=O)[O-])n1	ZINC000229996197	342862865	/nfs/dbraw/zinc/86/28/65/342862865.db2.gz	NIXDLNBPVXJSMN-ZETCQYMHSA-N	-1	0	205.217	0.999	10	30		BCEERM
C=C(Br)CNC(=O)C(=O)[O-]	ZINC000165030310	342869832	/nfs/dbraw/zinc/86/98/32/342869832.db2.gz	BSWILFRHWVXPEW-UHFFFAOYSA-N	-1	0	208.011	0.096	10	30		BCEERM
C[C@@H]1C[C@@H](C(=O)[O-])[C@H](C(=O)NCC#N)C1	ZINC000165338619	342915412	/nfs/dbraw/zinc/91/54/12/342915412.db2.gz	QJPADAXXGHOPNJ-XLPZGREQSA-N	-1	0	210.233	0.373	10	30		BCEERM
C#CCNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000070502461	166181678	/nfs/dbraw/zinc/18/16/78/166181678.db2.gz	ADYJVMNHWBACDW-BDAKNGLRSA-N	-1	0	224.260	0.562	10	30		BCEERM
CCOC(=O)c1cc(C(=O)C=CN(C)C)n[n-]1	ZINC000205747460	343648808	/nfs/dbraw/zinc/64/88/08/343648808.db2.gz	BZXCZPJIKQMVCQ-AATRIKPKSA-N	-1	0	237.259	0.844	10	30		BCEERM
C#C[C@@H](C)NC(=O)c1occc1C(=O)[O-]	ZINC000307533180	343941026	/nfs/dbraw/zinc/94/10/26/343941026.db2.gz	GZEIOBPQWYBVNU-ZCFIWIBFSA-N	-1	0	207.185	0.729	10	30		BCEERM
N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ncc[n-]1	ZINC000381062625	344475384	/nfs/dbraw/zinc/47/53/84/344475384.db2.gz	LRPYBNSVVXRVLP-YUMQZZPRSA-N	-1	0	240.288	0.380	10	30		BCEERM
N#Cc1c(F)ccc(F)c1[C@H](O)C(=O)[O-]	ZINC000396143680	344617038	/nfs/dbraw/zinc/61/70/38/344617038.db2.gz	NKJTWWHEGJUHBI-QMMMGPOBSA-N	-1	0	213.139	0.954	10	30		BCEERM
N#Cc1cc(C=O)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000396153473	344625745	/nfs/dbraw/zinc/62/57/45/344625745.db2.gz	CGGIGCYJQGFOTB-UHFFFAOYSA-N	-1	0	220.140	0.977	10	30		BCEERM
N#Cc1cc(CO)cc([N+](=O)[O-])c1CC(=O)[O-]	ZINC000514274632	344911376	/nfs/dbraw/zinc/91/13/76/344911376.db2.gz	ZPBUJUAHZOGUKZ-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1	ZINC000235385385	344899492	/nfs/dbraw/zinc/89/94/92/344899492.db2.gz	DFLPZHOEGVUDIV-GMSGAONNSA-N	-1	0	246.270	0.814	10	30		BCEERM
CCOC(=O)C(=N[O-])c1csc(NC=O)n1	ZINC000257354434	345774858	/nfs/dbraw/zinc/77/48/58/345774858.db2.gz	XSMFAYHFIJWZLH-UHFFFAOYSA-N	-1	0	243.244	0.453	10	30		BCEERM
C#CCC(=O)Nc1c[nH]c(C)c1C(=O)[O-]	ZINC000235752489	345843764	/nfs/dbraw/zinc/84/37/64/345843764.db2.gz	FPTVUXKTEHIQCD-UHFFFAOYSA-N	-1	0	206.201	0.983	10	30		BCEERM
C#C[C@H](C)NC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000166957533	345961662	/nfs/dbraw/zinc/96/16/62/345961662.db2.gz	JMAJMNKGIRUBLK-JGVFFNPUSA-N	-1	0	210.233	0.124	10	30		BCEERM
C#CCC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000236424096	346239518	/nfs/dbraw/zinc/23/95/18/346239518.db2.gz	RFHINKNWOLHHGB-UHFFFAOYSA-N	-1	0	224.241	0.732	10	30		BCEERM
Cc1cccc(C(=O)[O-])c1OCC(=O)NCC#N	ZINC000037729645	179025701	/nfs/dbraw/zinc/02/57/01/179025701.db2.gz	OFWRQOYBQBRAFD-UHFFFAOYSA-N	-1	0	248.238	0.712	10	30		BCEERM
Cc1cccc(NC(=O)C(=O)[O-])c1C#N	ZINC000027863490	179124627	/nfs/dbraw/zinc/12/46/27/179124627.db2.gz	XLCNVNFZQJZTTQ-UHFFFAOYSA-N	-1	0	204.185	0.890	10	30		BCEERM
C=CCCO[C@@H](C)C(=O)N[C@@H](CF)C(=O)[O-]	ZINC000262980969	166273412	/nfs/dbraw/zinc/27/34/12/166273412.db2.gz	PILXBRCTTSIJRT-YUMQZZPRSA-N	-1	0	233.239	0.507	10	30		BCEERM
C=CCN(CC=C)C(=O)NC(=O)/C=C/C(=O)[O-]	ZINC000020218000	166328183	/nfs/dbraw/zinc/32/81/83/166328183.db2.gz	RRRYHSLIMGUNET-AATRIKPKSA-N	-1	0	238.243	0.537	10	30		BCEERM
C#CCC(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	ZINC000306679163	350834210	/nfs/dbraw/zinc/83/42/10/350834210.db2.gz	HXSIKRUGMIMUFI-IUCAKERBSA-N	-1	0	209.245	0.721	10	30		BCEERM
CC(=O)N(O)c1ccc(OS(=O)(=O)[O-])cc1	ZINC000169342383	187475582	/nfs/dbraw/zinc/47/55/82/187475582.db2.gz	CDUILLVEPKKTBJ-UHFFFAOYSA-N	-1	0	247.228	0.610	10	30		BCEERM
CC#CCNc1c(C(=O)[O-])c(C)nn1C	ZINC000168077041	351287008	/nfs/dbraw/zinc/28/70/08/351287008.db2.gz	ZIRFKIJRCKIPRL-UHFFFAOYSA-N	-1	0	207.233	0.862	10	30		BCEERM
C=C(Cl)Cn1c([O-])cc(=O)[nH]c1=O	ZINC000168151828	351325384	/nfs/dbraw/zinc/32/53/84/351325384.db2.gz	DSEGSUOLJPXUNY-UHFFFAOYSA-N	-1	0	202.597	0.207	10	30		BCEERM
C#C[C@H](C)Oc1nc(C)cc(C(=O)[O-])n1	ZINC000231957739	351481868	/nfs/dbraw/zinc/48/18/68/351481868.db2.gz	YZZJIBCZBDMPMT-ZETCQYMHSA-N	-1	0	206.201	0.884	10	30		BCEERM
C[C@H](NC(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000606301856	351551568	/nfs/dbraw/zinc/55/15/68/351551568.db2.gz	IYYFCADLLUHWGT-YFKPBYRVSA-N	-1	0	208.173	0.354	10	30		BCEERM
N#CC[N-]C(=O)C(F)(F)Br	ZINC000307283825	351848553	/nfs/dbraw/zinc/84/85/53/351848553.db2.gz	ISRJKRRCOBQOPT-UHFFFAOYSA-N	-1	0	212.981	0.614	10	30		BCEERM
CC#CCCn1c(=O)cccc1C(=O)[O-]	ZINC000232464683	352716943	/nfs/dbraw/zinc/71/69/43/352716943.db2.gz	WFIDXKJKPWCTRI-UHFFFAOYSA-N	-1	0	205.213	0.960	10	30		BCEERM
CC#CC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000232648546	353152111	/nfs/dbraw/zinc/15/21/11/353152111.db2.gz	WSTSEDDABZYSIL-UHFFFAOYSA-N	-1	0	224.241	0.732	10	30		BCEERM
CC(C)(CC(=O)[O-])CC(=O)N(CC#N)CC#N	ZINC000061826140	188128167	/nfs/dbraw/zinc/12/81/67/188128167.db2.gz	OKLXONQQYWCBDF-UHFFFAOYSA-N	-1	0	237.259	0.753	10	30		BCEERM
C=C(C)C(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000033433427	188183111	/nfs/dbraw/zinc/18/31/11/188183111.db2.gz	DORQPWXPGNHZIL-ZETCQYMHSA-N	-1	0	217.290	0.885	10	30		BCEERM
N#Cc1ncn(Cc2ccoc2C(=O)[O-])n1	ZINC000060142947	188183936	/nfs/dbraw/zinc/18/39/36/188183936.db2.gz	ACNPDULARBRIOW-UHFFFAOYSA-N	-1	0	218.172	0.489	10	30		BCEERM
C#CC[C@H](Nc1cc(C)ncn1)C(=O)[O-]	ZINC000127577699	353273457	/nfs/dbraw/zinc/27/34/57/353273457.db2.gz	OOVPWIVECLFVOA-QMMMGPOBSA-N	-1	0	205.217	0.673	10	30		BCEERM
CC#CC(=O)Nc1c[nH]c(C)c1C(=O)[O-]	ZINC000232637789	353747066	/nfs/dbraw/zinc/74/70/66/353747066.db2.gz	GLBIYDGQNPJQKJ-UHFFFAOYSA-N	-1	0	206.201	0.983	10	30		BCEERM
C=C(NC(=O)C(F)(F)F)C(=O)CCC(=O)[O-]	ZINC000102828754	188504755	/nfs/dbraw/zinc/50/47/55/188504755.db2.gz	PHXZJGHCMDALQH-UHFFFAOYSA-N	-1	0	239.149	0.613	10	30		BCEERM
N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000027416059	181034376	/nfs/dbraw/zinc/03/43/76/181034376.db2.gz	VNVDSCNQCLNEOR-JTQLQIEISA-N	-1	0	232.239	0.712	10	30		BCEERM
N#C[C@H]1C(C(=O)[O-])=CN=C[C@@H]1OC1CC1	ZINC000095735248	181068228	/nfs/dbraw/zinc/06/82/28/181068228.db2.gz	KKYHWCMMWRGSBM-CBAPKCEASA-N	-1	0	206.201	0.727	10	30		BCEERM
N#C[C@H]1CCC[C@@H]1NC(=O)CCC(=O)[O-]	ZINC000061889915	181069264	/nfs/dbraw/zinc/06/92/64/181069264.db2.gz	HGAMUJOTJYINJD-SFYZADRCSA-N	-1	0	210.233	0.660	10	30		BCEERM
N#Cc1c2c(sc1[N-]S(N)(=O)=O)CCC2	ZINC000039121687	181078333	/nfs/dbraw/zinc/07/83/33/181078333.db2.gz	YUWVUXAYQXHJKP-UHFFFAOYSA-N	-1	0	243.313	0.724	10	30		BCEERM
N#Cc1ccc([N+](=O)[O-])c(OCC(=O)[O-])c1	ZINC000076853663	181131647	/nfs/dbraw/zinc/13/16/47/181131647.db2.gz	RPFXXNBCCMSDTG-UHFFFAOYSA-N	-1	0	222.156	0.930	10	30		BCEERM
N#Cc1ccccc1NC(=O)NCC(=O)[O-]	ZINC000019978519	181147990	/nfs/dbraw/zinc/14/79/90/181147990.db2.gz	ANWIFRTVDNMZDM-UHFFFAOYSA-N	-1	0	219.200	0.764	10	30		BCEERM
N#Cc1ncn(-c2ncccc2C(=O)[O-])n1	ZINC000060060387	181175756	/nfs/dbraw/zinc/17/57/56/181175756.db2.gz	CHXZEHWSNPJOHV-UHFFFAOYSA-N	-1	0	215.172	0.232	10	30		BCEERM
N#Cc1cnn2cc([S@](=O)[O-])cnc12	ZINC000675062581	538488475	/nfs/dbraw/zinc/48/84/75/538488475.db2.gz	XVJGSRIRJISAMP-UHFFFAOYSA-N	-1	0	208.202	0.182	10	30		BCEERM
COC(=O)c1cc(C#N)ccc1[S@](=O)[O-]	ZINC000675062250	538488667	/nfs/dbraw/zinc/48/86/67/538488667.db2.gz	NILYCDBZSQOVTC-UHFFFAOYSA-N	-1	0	225.225	0.925	10	30		BCEERM
C#C[C@H](C)NC(=O)[C@H]1CC[C@H](C(=O)[O-])C1	ZINC000300044327	357176359	/nfs/dbraw/zinc/17/63/59/357176359.db2.gz	BFJTVTIZMFJALS-CIUDSAMLSA-N	-1	0	209.245	0.625	10	30		BCEERM
C=C(Cl)CNc1c(C)c(=O)[n-][nH]c1=O	ZINC000306547199	360415347	/nfs/dbraw/zinc/41/53/47/360415347.db2.gz	XBASPAUXUSUHFK-UHFFFAOYSA-N	-1	0	215.640	0.536	10	30		BCEERM
COc1nc2[nH]nc(C#N)c2c(Cl)n1	ZINC000238377122	360981364	/nfs/dbraw/zinc/98/13/64/360981364.db2.gz	ZJLQEEQQCVVTDX-UHFFFAOYSA-N	-1	0	209.596	0.887	10	30		BCEERM
NC(=S)NN=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000254364331	364692662	/nfs/dbraw/zinc/69/26/62/364692662.db2.gz	MJMFGGYKUSTJSO-UHFFFAOYSA-N	-1	0	240.244	0.468	10	30		BCEERM
CCN(CCC#N)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000042451398	169814834	/nfs/dbraw/zinc/81/48/34/169814834.db2.gz	JZPXJBQEGPFRTQ-SECBINFHSA-N	-1	0	239.275	0.891	10	30		BCEERM
CCCN(CC(=O)[O-])C(=O)N(C)C[C@H](C)C#N	ZINC000042461985	169097755	/nfs/dbraw/zinc/09/77/55/169097755.db2.gz	UXHFGVSMCNZAEJ-SECBINFHSA-N	-1	0	241.291	0.994	10	30		BCEERM
C#CCON=c1nc(Cl)nc(OC)[n-]1	ZINC000307568981	384068853	/nfs/dbraw/zinc/06/88/53/384068853.db2.gz	VDEADFPHXHRBQA-UHFFFAOYSA-N	-1	0	214.612	0.510	10	30		BCEERM
O=C(C1CC1)N(O)CCC[P@@](=O)([O-])O	ZINC000013644167	384862297	/nfs/dbraw/zinc/86/22/97/384862297.db2.gz	BJJMRCFFXISBLO-UHFFFAOYSA-N	-1	0	223.165	0.182	10	30		BCEERM
N#Cc1ccc(/C=C2\NC(=O)[N-]C2=O)cc1	ZINC000005750181	384899652	/nfs/dbraw/zinc/89/96/52/384899652.db2.gz	OBTKOWGJCLQKMO-UITAMQMPSA-N	-1	0	213.196	0.739	10	30		BCEERM
N#Cc1c(F)cc([C@@H](O)C(=O)[O-])cc1F	ZINC000260068003	385661604	/nfs/dbraw/zinc/66/16/04/385661604.db2.gz	HBHZOEBXGHZYFK-MRVPVSSYSA-N	-1	0	213.139	0.954	10	30		BCEERM
C#CC[C@@H](C)NC(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000229012860	533204194	/nfs/dbraw/zinc/20/41/94/533204194.db2.gz	LCFSKYAKINMIGG-RKDXNWHRSA-N	-1	0	226.276	0.760	10	30		BCEERM
N#Cc1cc(CC(=O)[O-])c(C=O)c([N+](=O)[O-])c1	ZINC000575391253	386958492	/nfs/dbraw/zinc/95/84/92/386958492.db2.gz	QVKFJCVEIASGNP-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
COC(=O)Cc1cc([O-])c([N+](=O)[O-])c(C#N)c1	ZINC000575391402	386959217	/nfs/dbraw/zinc/95/92/17/386959217.db2.gz	GHGDTHCXDCPWJN-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
N#Cc1cc([N+](=O)[O-])c(CC(=O)[O-])cc1CO	ZINC000575391093	386960579	/nfs/dbraw/zinc/96/05/79/386960579.db2.gz	CVCSSXPMRPTJSB-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
N#Cc1cc([N+](=O)[O-])c(CO)cc1CC(=O)[O-]	ZINC000575391524	386960922	/nfs/dbraw/zinc/96/09/22/386960922.db2.gz	ZRSKLLFLWNDPKG-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
COC(=O)Cc1ccc(C#N)c([O-])c1[N+](=O)[O-]	ZINC000575391901	386964032	/nfs/dbraw/zinc/96/40/32/386964032.db2.gz	ULSLMZZTFCZLJQ-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
C[C@H](C#N)N1CCS[C@H](C(=O)[O-])C1	ZINC000575574774	386976744	/nfs/dbraw/zinc/97/67/44/386976744.db2.gz	ACWRKYVWUSSUEC-RQJHMYQMSA-N	-1	0	200.263	0.400	10	30		BCEERM
COC(=O)Cc1cc([O-])c(C#N)c([N+](=O)[O-])c1	ZINC000575391425	388594745	/nfs/dbraw/zinc/59/47/45/388594745.db2.gz	GPAXVYHIGWKBMR-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
O=C1[N-]C(=O)C(=CNc2ccccc2)C(=O)N1	ZINC000103235839	388582546	/nfs/dbraw/zinc/58/25/46/388582546.db2.gz	BIWSNRSYSGWOGC-WUXMJOGZSA-N	-1	0	231.211	0.371	10	30		BCEERM
C=CC[C@H](NC(=O)N(C)CC)C(=O)[O-]	ZINC000127517097	133644728	/nfs/dbraw/zinc/64/47/28/133644728.db2.gz	UIUBKAMVSPBDKZ-ZETCQYMHSA-N	-1	0	200.238	0.677	10	30		BCEERM
C=CCC[C@H](NC(=O)c1cnc(C)cn1)C(=O)[O-]	ZINC000262814924	135322384	/nfs/dbraw/zinc/32/23/84/135322384.db2.gz	DQZQIMMZOAORBM-VIFPVBQESA-N	-1	0	249.270	0.934	10	30		BCEERM
C=CCC[C@H](NC(=O)c1cnccn1)C(=O)[O-]	ZINC000263009225	135326898	/nfs/dbraw/zinc/32/68/98/135326898.db2.gz	XBFGVHOJTNBUDR-QMMMGPOBSA-N	-1	0	235.243	0.626	10	30		BCEERM
C#CCCNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000019505167	166143581	/nfs/dbraw/zinc/14/35/81/166143581.db2.gz	YCPBCYSUFNNIJT-VIFPVBQESA-N	-1	0	226.276	0.808	10	30		BCEERM
C#CC(=O)N1[C@@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21	ZINC000019474958	166108358	/nfs/dbraw/zinc/10/83/58/166108358.db2.gz	KSGQKRDTZJIKKM-KXUCPTDWSA-N	-1	0	221.256	0.864	10	30		BCEERM
C#CC(=O)N[C@]1(C(=O)[O-])CCC[C@H](C)C1	ZINC000041034037	166108475	/nfs/dbraw/zinc/10/84/75/166108475.db2.gz	FTFYDAWPDIMPPR-GZMMTYOYSA-N	-1	0	209.245	0.769	10	30		BCEERM
C#CCNC(=O)COc1c(C)cccc1C(=O)[O-]	ZINC000037729737	166173290	/nfs/dbraw/zinc/17/32/90/166173290.db2.gz	MXIMXBKXSSHEJO-UHFFFAOYSA-N	-1	0	247.250	0.821	10	30		BCEERM
C#CCNC(=O)COc1ccc(CC(=O)[O-])cc1	ZINC000019843653	166174472	/nfs/dbraw/zinc/17/44/72/166174472.db2.gz	UOKPHLKSNHTETH-UHFFFAOYSA-N	-1	0	247.250	0.442	10	30		BCEERM
C#CCNC(=O)N(CC)C(C)(C)C(=O)[O-]	ZINC000061172316	166175382	/nfs/dbraw/zinc/17/53/82/166175382.db2.gz	WIULGVNYUDWDOS-UHFFFAOYSA-N	-1	0	212.249	0.514	10	30		BCEERM
C#CCN[C@@](C)(C(=O)[O-])c1cccnc1	ZINC000041730911	166191438	/nfs/dbraw/zinc/19/14/38/166191438.db2.gz	HLZPAHBWMMTMTA-LLVKDONJSA-N	-1	0	204.229	0.604	10	30		BCEERM
C=CCN(CC=C)C(=O)CN(CC)CC(=O)[O-]	ZINC000038017967	166329273	/nfs/dbraw/zinc/32/92/73/166329273.db2.gz	IQMJVKDVGJKKSD-UHFFFAOYSA-N	-1	0	240.303	0.594	10	30		BCEERM
C=CCNC(=O)NC1(C(=O)[O-])CCCC1	ZINC000019433899	166375915	/nfs/dbraw/zinc/37/59/15/166375915.db2.gz	HLRNGWHRAHAYNS-UHFFFAOYSA-N	-1	0	212.249	0.869	10	30		BCEERM
C=C[C@H](C(=O)[O-])N1CCN(c2ncccn2)CC1	ZINC000305987293	411430328	/nfs/dbraw/zinc/43/03/28/411430328.db2.gz	IRYRADKBBUHRCG-SNVBAGLBSA-N	-1	0	248.286	0.238	10	30		BCEERM
CSc1nnc(N=NC(C)C(=O)[O-])s1	ZINC000584658125	411802805	/nfs/dbraw/zinc/80/28/05/411802805.db2.gz	NRBOLOQBGLIJOR-XVNBXDOJSA-N	-1	0	232.290	1.132	10	30		BCEERM
COC1=CC(=CC(=O)[O-])C=C(OC)C1=O	ZINC000039928010	174013156	/nfs/dbraw/zinc/01/31/56/174013156.db2.gz	UMRFKSPDZAUMSM-UHFFFAOYSA-N	-1	0	210.185	0.641	10	30		BCEERM
COC1=C[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)CS)C1	ZINC000027991144	174014854	/nfs/dbraw/zinc/01/48/54/174014854.db2.gz	XKSAFDJCXPUULT-XPUUQOCRSA-N	-1	0	245.300	0.378	10	30		BCEERM
CC1=C(N)C(C(=O)CC#N)C([O-])=C(C)C1=O	ZINC000100441600	176042046	/nfs/dbraw/zinc/04/20/46/176042046.db2.gz	YJDOQFGQCLRVPX-WDSKDSINSA-N	-1	0	220.228	0.106	10	30	in-vitro	BCEERM
C=CCOCCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC000659190712	487967988	/nfs/dbraw/zinc/96/79/88/487967988.db2.gz	CABAUKOBPDUZJN-IUCAKERBSA-N	-1	0	227.260	0.416	10	30		BCEERM
O=C(C=N[O-])Nc1ccc2c[nH]nc2c1	ZINC000301054941	526319320	/nfs/dbraw/zinc/31/93/20/526319320.db2.gz	QJNXMFYLQNNWGL-UHFFFAOYSA-N	-1	0	204.189	0.961	10	30		BCEERM
O=Cc1cc2c(c(C#CC(=O)[O-])c1)OCO2	ZINC000757567088	586306027	/nfs/dbraw/zinc/30/60/27/586306027.db2.gz	HPPOHODNAKHFOA-UHFFFAOYSA-N	-1	0	218.164	0.664	10	30		BCEERM
COc1cc(C#CC(=O)[O-])c(C=O)c(OC)c1	ZINC000757569687	586376721	/nfs/dbraw/zinc/37/67/21/586376721.db2.gz	VWFRQDKVDQDYIC-UHFFFAOYSA-N	-1	0	234.207	0.952	10	30		BCEERM
O=Cc1cc2c(cc1C#CC(=O)[O-])OCO2	ZINC000757566224	586461685	/nfs/dbraw/zinc/46/16/85/586461685.db2.gz	FIFWDOQRTWTDRV-UHFFFAOYSA-N	-1	0	218.164	0.664	10	30		BCEERM
C#CCN(CC)c1ncc(C(=O)[O-])cn1	ZINC000126471714	590315455	/nfs/dbraw/zinc/31/54/55/590315455.db2.gz	LPCYOKUATWIJAQ-UHFFFAOYSA-N	-1	0	205.217	0.634	10	30		BCEERM
C#CC[C@H](C)Nc1cnc(C(=O)[O-])cn1	ZINC000229026030	640917401	/nfs/dbraw/zinc/91/74/01/640917401.db2.gz	BEYAZTSXAOOALT-ZETCQYMHSA-N	-1	0	205.217	0.999	10	30		BCEERM
C#CCSCCNc1nccc(C(=O)[O-])n1	ZINC000231970828	641226160	/nfs/dbraw/zinc/22/61/60/641226160.db2.gz	GJURYUTZDMHEJE-UHFFFAOYSA-N	-1	0	237.284	0.953	10	30		BCEERM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CC[C@H](C)O1	ZINC000088140507	641317148	/nfs/dbraw/zinc/31/71/48/641317148.db2.gz	OAKUCMQDAXKFPB-DTWKUNHWSA-N	-1	0	227.260	0.653	10	30		BCEERM
C#CCN(C)C(=O)C1CCC(C(=O)[O-])CC1	ZINC000130607464	642246710	/nfs/dbraw/zinc/24/67/10/642246710.db2.gz	AVXISBCVGRVQKP-UHFFFAOYSA-N	-1	0	223.272	0.969	10	30		BCEERM
C#CCN(CC(=O)[O-])C(=O)N1CC[C@@H](C)C1	ZINC000086156406	644458496	/nfs/dbraw/zinc/45/84/96/644458496.db2.gz	SCABCUSCSYVLFQ-SECBINFHSA-N	-1	0	224.260	0.468	10	30		BCEERM
C=CCN(C)S(=O)(=O)[C@@H]1CCC[C@H]1C(=O)[O-]	ZINC000300028450	804061742	/nfs/dbraw/zinc/06/17/42/804061742.db2.gz	NCLOTCITFBVZPO-RKDXNWHRSA-N	-1	0	247.316	0.687	10	30		BCEERM
N#C[C@@H]1CCN(CC(F)(F)C(=O)[O-])C1	ZINC000685956897	538901716	/nfs/dbraw/zinc/90/17/16/538901716.db2.gz	JAEGZPFCJWQSFH-LURJTMIESA-N	-1	0	204.176	0.552	10	30		BCEERM
CC#CCNC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C	ZINC000167671816	346825622	/nfs/dbraw/zinc/82/56/22/346825622.db2.gz	ZJMYRNHPAYPUGZ-JGVFFNPUSA-N	-1	0	209.245	0.483	10	30		BCEERM
C#C[C@H](CC)Nc1cnc(C(=O)[O-])cn1	ZINC000229995554	342862863	/nfs/dbraw/zinc/86/28/63/342862863.db2.gz	AEMHDTFOIWJUMP-SSDOTTSWSA-N	-1	0	205.217	0.999	10	30		BCEERM
C#CCNC(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000019433502	166178544	/nfs/dbraw/zinc/17/85/44/166178544.db2.gz	BANLTVVHDBKVMK-ZETCQYMHSA-N	-1	0	230.289	0.125	10	30		BCEERM
O=C1[N-]C(=O)N(/N=C/c2ccccc2)C1=O	ZINC000022050813	343037520	/nfs/dbraw/zinc/03/75/20/343037520.db2.gz	QMHLKOIIYHZAID-IZZDOVSWSA-N	-1	0	217.184	0.099	10	30	in-vitro	BCEERM
C#CCNC(=O)[C@H](C)SCCC(=O)[O-]	ZINC000034938414	166184390	/nfs/dbraw/zinc/18/43/90/166184390.db2.gz	NWSBOUHCIDDYPP-ZETCQYMHSA-N	-1	0	215.274	0.332	10	30		BCEERM
CCc1cnc2c(n1)C([O-])=CC(=O)C2=O	ZINC000039096423	343382582	/nfs/dbraw/zinc/38/25/82/343382582.db2.gz	KGGVATACNGMSJP-UHFFFAOYSA-N	-1	0	204.185	0.860	10	30		BCEERM
C=C(Cl)CN1C[C@H](C(=O)[O-])CC1=O	ZINC000135087511	343932466	/nfs/dbraw/zinc/93/24/66/343932466.db2.gz	HEYZKPUYWHRVIX-ZCFIWIBFSA-N	-1	0	203.625	0.672	10	30		BCEERM
CC#CCNc1nc[n-]c(=O)c1Br	ZINC000165898726	344196393	/nfs/dbraw/zinc/19/63/93/344196393.db2.gz	FDXVGKNIVVAIDC-UHFFFAOYSA-N	-1	0	242.076	0.968	10	30		BCEERM
C#CC[C@@H](Nc1cc(C)ncn1)C(=O)[O-]	ZINC000127577908	344566903	/nfs/dbraw/zinc/56/69/03/344566903.db2.gz	OOVPWIVECLFVOA-MRVPVSSYSA-N	-1	0	205.217	0.673	10	30		BCEERM
N#Cc1c(N)cc(=O)[n-]c1N1CCCC1	ZINC000675053202	537863343	/nfs/dbraw/zinc/86/33/43/537863343.db2.gz	HMIIOOFLLFMYHZ-UHFFFAOYSA-N	-1	0	204.233	0.841	10	30		BCEERM
N#Cc1cc(C=O)c(CC(=O)[O-])c([N+](=O)[O-])c1	ZINC000514274539	344911537	/nfs/dbraw/zinc/91/15/37/344911537.db2.gz	OTFCLDGKTLBFQE-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
N#Cc1c(CO)cc(CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000514275761	344911987	/nfs/dbraw/zinc/91/19/87/344911987.db2.gz	PXGGIXAQYDJANK-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
C=CCOCCCNC(=O)[C@@H]1CC[C@@H]1C(=O)[O-]	ZINC000634846044	345000115	/nfs/dbraw/zinc/00/01/15/345000115.db2.gz	ZDSOONHIBFWSCM-ZJUUUORDSA-N	-1	0	241.287	0.806	10	30		BCEERM
COc1ccc([C@@H](O)C(=O)[O-])c(C#N)c1	ZINC000238338799	345025570	/nfs/dbraw/zinc/02/55/70/345025570.db2.gz	ZMMUCYIYIOQKQG-SECBINFHSA-N	-1	0	207.185	0.685	10	30		BCEERM
Cc1n[nH]c(C)c1[N-]S(=O)(=O)CC#N	ZINC000044509726	345100353	/nfs/dbraw/zinc/10/03/53/345100353.db2.gz	WKPMOEYQIWGBCJ-UHFFFAOYSA-N	-1	0	214.250	0.292	10	30		BCEERM
C#CCN(C)c1nc[n-]c(=O)c1Br	ZINC000166825330	345844742	/nfs/dbraw/zinc/84/47/42/345844742.db2.gz	VRCACTDFGLGFHK-UHFFFAOYSA-N	-1	0	242.076	0.602	10	30		BCEERM
CC(C)(C)OC(=O)[N-]S(=O)(=O)C1(C#N)CC1	ZINC000146785046	345988376	/nfs/dbraw/zinc/98/83/76/345988376.db2.gz	AQSNWGFWRKQPIP-UHFFFAOYSA-N	-1	0	246.288	0.897	10	30		BCEERM
CC(C)O/N=C(\C#N)C(=O)[N-]OC(C)C	ZINC000148818966	346055279	/nfs/dbraw/zinc/05/52/79/346055279.db2.gz	BAZGVPBEAAKIPY-DHZHZOJOSA-N	-1	0	213.237	0.747	10	30		BCEERM
C#CCC(=O)N[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC000236447104	346241256	/nfs/dbraw/zinc/24/12/56/346241256.db2.gz	ZZFGFTCFUNTGCP-RKDXNWHRSA-N	-1	0	209.245	0.769	10	30		BCEERM
CS(=O)(=O)O[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000148054696	346501911	/nfs/dbraw/zinc/50/19/11/346501911.db2.gz	MNGSJENYNYMNDX-NKWVEPMBSA-N	-1	0	222.262	0.606	10	30		BCEERM
N#CC1=C([O-])NC(=S)NC12CCCC2	ZINC000196307189	347867844	/nfs/dbraw/zinc/86/78/44/347867844.db2.gz	OFOVTEBJJOXKPS-LURJTMIESA-N	-1	0	209.274	0.443	10	30		BCEERM
C#CCNS(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000038058507	187419769	/nfs/dbraw/zinc/41/97/69/187419769.db2.gz	UZVPBHRLPLQVLY-UHFFFAOYSA-N	-1	0	245.281	0.358	10	30		BCEERM
Cc1nn(C)c(N(C)CCC#N)c1C(=O)[O-]	ZINC000020445850	180351267	/nfs/dbraw/zinc/35/12/67/180351267.db2.gz	DJOSEZINSSDNNS-UHFFFAOYSA-N	-1	0	222.248	0.777	10	30		BCEERM
C=C1CCN(S(=O)(=O)CC(=O)[O-])CC1	ZINC000306791933	351041053	/nfs/dbraw/zinc/04/10/53/351041053.db2.gz	ZKDGOHSTRJCIEE-UHFFFAOYSA-N	-1	0	219.262	0.053	10	30		BCEERM
N#Cc1ccc(C(=O)N[C@@H](CS)C(=O)[O-])o1	ZINC000606301961	351552377	/nfs/dbraw/zinc/55/23/77/351552377.db2.gz	PBKJYOYDRHRTDH-LURJTMIESA-N	-1	0	240.240	0.264	10	30		BCEERM
C=C(C)CNC(=O)NC(C)(C)C(=O)[O-]	ZINC000019433233	187487178	/nfs/dbraw/zinc/48/71/78/187487178.db2.gz	HVAYPHBNVYGWMT-UHFFFAOYSA-N	-1	0	200.238	0.725	10	30		BCEERM
C=CCSC[C@@H](NC(C)=O)C(=O)[O-]	ZINC000038916954	187764712	/nfs/dbraw/zinc/76/47/12/187764712.db2.gz	LKRAEHUDIUJBSF-SSDOTTSWSA-N	-1	0	203.263	0.495	10	30	in-vitro	BCEERM
C=CCC(=O)N1C[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000054399637	187830372	/nfs/dbraw/zinc/83/03/72/187830372.db2.gz	DUNVGMZTDHZPJW-HTQZYQBOSA-N	-1	0	213.233	0.263	10	30		BCEERM
N#CCNC(=O)c1s[n-]c(=O)c1Cl	ZINC000307679814	352754518	/nfs/dbraw/zinc/75/45/18/352754518.db2.gz	NKRAIXNNUXCQRR-UHFFFAOYSA-N	-1	0	217.637	0.755	10	30		BCEERM
C#CCNS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000036949128	188104801	/nfs/dbraw/zinc/10/48/01/188104801.db2.gz	WOHQNAUZSYSNEV-UHFFFAOYSA-N	-1	0	245.281	0.358	10	30		BCEERM
N#CCSCC(=O)N1CSC[C@@H]1C(=O)[O-]	ZINC000037454744	188106682	/nfs/dbraw/zinc/10/66/82/188106682.db2.gz	NBZWCWZQPZOBFF-ZCFIWIBFSA-N	-1	0	246.313	0.229	10	30		BCEERM
N#CCN(CC#N)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000019403138	188107918	/nfs/dbraw/zinc/10/79/18/188107918.db2.gz	GIJRQPUXYVJCFE-VHSXEESVSA-N	-1	0	249.270	0.753	10	30		BCEERM
C=CCNC(=O)N1C[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000040521407	166377183	/nfs/dbraw/zinc/37/71/83/166377183.db2.gz	HQCSJMJGDJVILI-HTQZYQBOSA-N	-1	0	228.248	0.056	10	30		BCEERM
C#CCC(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000232812653	353572357	/nfs/dbraw/zinc/57/23/57/353572357.db2.gz	YJZKCEOGALAECM-UHFFFAOYSA-N	-1	0	209.245	0.723	10	30		BCEERM
C#CC[C@@H](C)Nc1ncncc1C(=O)[O-]	ZINC000300976865	363244584	/nfs/dbraw/zinc/24/45/84/363244584.db2.gz	XVKXEHCYMVCEDI-SSDOTTSWSA-N	-1	0	205.217	0.999	10	30		BCEERM
N#CCN(CC#N)C(=O)CC1(C(=O)[O-])CCCC1	ZINC000035083157	181039300	/nfs/dbraw/zinc/03/93/00/181039300.db2.gz	SDNYNHPTSDGRBI-UHFFFAOYSA-N	-1	0	249.270	0.897	10	30		BCEERM
N#CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000040422516	181043239	/nfs/dbraw/zinc/04/32/39/181043239.db2.gz	ZRGSBZWOMFJFDP-UHFFFAOYSA-N	-1	0	240.240	0.187	10	30		BCEERM
N#Cc1ncn(-c2ccc(C(=O)[O-])cc2)n1	ZINC000061842105	188541192	/nfs/dbraw/zinc/54/11/92/188541192.db2.gz	CVYNZRAEPWFHNC-UHFFFAOYSA-N	-1	0	214.184	0.837	10	30		BCEERM
N#Cc1c(F)cccc1N1C(=O)[N-]C(=O)C1=O	ZINC000036158420	181074734	/nfs/dbraw/zinc/07/47/34/181074734.db2.gz	OWDWZPDFVWTKRQ-UHFFFAOYSA-N	-1	0	233.158	0.280	10	30		BCEERM
N#C[C@H]1C(C(=O)[O-])=CN=C[C@H]1OC1CC1	ZINC000095735246	181067597	/nfs/dbraw/zinc/06/75/97/181067597.db2.gz	KKYHWCMMWRGSBM-IONNQARKSA-N	-1	0	206.201	0.727	10	30		BCEERM
N#Cc1cc(CCO)c(C(F)(F)F)[n-]c1=O	ZINC000022218647	181085149	/nfs/dbraw/zinc/08/51/49/181085149.db2.gz	DCJCMYJOOAUEJO-UHFFFAOYSA-N	-1	0	232.161	0.800	10	30		BCEERM
N#Cc1cc(NC(=O)C(=O)[O-])ccc1F	ZINC000051638690	181089931	/nfs/dbraw/zinc/08/99/31/181089931.db2.gz	URXIVBSWLUTCIB-UHFFFAOYSA-N	-1	0	208.148	0.720	10	30		BCEERM
N#Cc1ccc(CNC(=O)/C=C/C(=O)[O-])cc1	ZINC000037748216	181106679	/nfs/dbraw/zinc/10/66/79/181106679.db2.gz	ABZFARNAFIGHQD-AATRIKPKSA-N	-1	0	230.223	0.815	10	30		BCEERM
N#Cc1ccccc1Cn1[n-]c(=O)ccc1=O	ZINC000019482472	181147203	/nfs/dbraw/zinc/14/72/03/181147203.db2.gz	YWAGMIAWNGPILP-UHFFFAOYSA-N	-1	0	227.223	0.457	10	30		BCEERM
N#Cc1ncn(C/C=C/C(=O)[O-])c1C#N	ZINC000161205662	363414690	/nfs/dbraw/zinc/41/46/90/363414690.db2.gz	HHRFAPGUQPPUOX-OWOJBTEDSA-N	-1	0	202.173	0.267	10	30		BCEERM
N/C(COc1ccc(C(=O)[O-])cc1)=N\O	ZINC000008575994	181183544	/nfs/dbraw/zinc/18/35/44/181183544.db2.gz	VTAONEGQLFSALQ-UHFFFAOYSA-N	-1	0	210.189	0.510	10	30		BCEERM
C#CC(C)(C)n1cc(C(=O)[O-])ccc1=O	ZINC000069682725	359770507	/nfs/dbraw/zinc/77/05/07/359770507.db2.gz	LWBXSIYSMMHTQX-UHFFFAOYSA-N	-1	0	205.213	0.915	10	30		BCEERM
C=CCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC	ZINC000578440051	366568635	/nfs/dbraw/zinc/56/86/35/366568635.db2.gz	FIISPGRRHHMBNH-DTWKUNHWSA-N	-1	0	249.332	0.981	10	30		BCEERM
CC#CC(=O)N(C)c1nc(C(=O)[O-])cs1	ZINC000306531085	360393161	/nfs/dbraw/zinc/39/31/61/360393161.db2.gz	ACVYXOALMDKFNB-UHFFFAOYSA-N	-1	0	224.241	0.827	10	30		BCEERM
C=C[C@@H](C(=O)[O-])N1CCO[C@H](COCC)C1	ZINC000629371857	361021100	/nfs/dbraw/zinc/02/11/00/361021100.db2.gz	NMGMLTKADFLVPC-UWVGGRQHSA-N	-1	0	229.276	0.363	10	30		BCEERM
C=C[C@H](C(=O)[O-])N1CCO[C@@H](COCC)C1	ZINC000629371856	361021252	/nfs/dbraw/zinc/02/12/52/361021252.db2.gz	NMGMLTKADFLVPC-NXEZZACHSA-N	-1	0	229.276	0.363	10	30		BCEERM
C=C[C@]1(CC(=O)[O-])CCS(=O)(=O)C1	ZINC000675053966	541432993	/nfs/dbraw/zinc/43/29/93/541432993.db2.gz	RWRXLVKIBBDKQJ-MRVPVSSYSA-N	-1	0	204.247	0.452	10	30		BCEERM
N/C(=N\[O-])c1nccc(OCC(F)(F)F)n1	ZINC000112953714	368881284	/nfs/dbraw/zinc/88/12/84/368881284.db2.gz	BZILPSZPTRQDRS-UHFFFAOYSA-N	-1	0	236.153	0.512	10	30		BCEERM
CC#CCNC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000163628665	372022393	/nfs/dbraw/zinc/02/23/93/372022393.db2.gz	JIDHWDQYZPZRBS-QMMMGPOBSA-N	-1	0	210.233	0.268	10	30		BCEERM
C#CC(=O)Nc1ccc(CC(=O)[O-])nc1	ZINC000229613117	372173136	/nfs/dbraw/zinc/17/31/36/372173136.db2.gz	IWUVBLCRROFQQM-UHFFFAOYSA-N	-1	0	204.185	0.280	10	30		BCEERM
C[C@@H](C#N)[S@](=O)c1ccc(C(=O)[O-])o1	ZINC000068984423	373102325	/nfs/dbraw/zinc/10/23/25/373102325.db2.gz	JFWFSCTZYLYFQG-OVZGEXIGSA-N	-1	0	213.214	0.997	10	30		BCEERM
O=C([O-])[C@@H]1CSCN1C(=O)CCS	ZINC000039331935	182520002	/nfs/dbraw/zinc/52/00/02/182520002.db2.gz	SJWSKLANDBKQKV-YFKPBYRVSA-N	-1	0	221.303	0.292	10	30		BCEERM
O=C(/C=N/[O-])Nc1ccc2c(c1)OCCO2	ZINC000003886473	384030767	/nfs/dbraw/zinc/03/07/67/384030767.db2.gz	RYGNABOONRGSDG-IZZDOVSWSA-N	-1	0	222.200	0.856	10	30		BCEERM
CCCCCCCC(=O)N[C@H](O)C(=O)[O-]	ZINC000138030977	384560424	/nfs/dbraw/zinc/56/04/24/384560424.db2.gz	HBGXZSWRZZHJKJ-SECBINFHSA-N	-1	0	217.265	0.866	10	30		BCEERM
C#CCNC(=O)C[N-]c1nc(C(C)C)no1	ZINC000302760872	385016694	/nfs/dbraw/zinc/01/66/94/385016694.db2.gz	XGKSRRYAHLDOSY-UHFFFAOYSA-N	-1	0	222.248	0.354	10	30		BCEERM
C=C(C)[C@@H]1C[NH2+][C@@H](C(=O)[O-])[C@H]1CC(=O)[O-]	ZINC000005382902	385062671	/nfs/dbraw/zinc/06/26/71/385062671.db2.gz	VLSMHEGGTFMBBZ-ACLDMZEESA-N	-1	0	213.233	0.326	10	30	in-vitro	BCEERM
N#Cc1cc(C=O)cc(CC(=O)[O-])c1[N+](=O)[O-]	ZINC000575390839	386959618	/nfs/dbraw/zinc/95/96/18/386959618.db2.gz	DUCVFOIXQTUEHJ-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
N#Cc1cc(CC(=O)[O-])cc(C=O)c1[N+](=O)[O-]	ZINC000575391613	386961640	/nfs/dbraw/zinc/96/16/40/386961640.db2.gz	XNUHCNMQTHBYOT-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
N#Cc1cc(CO)c([N+](=O)[O-])c(CC(=O)[O-])c1	ZINC000575391108	386961912	/nfs/dbraw/zinc/96/19/12/386961912.db2.gz	HBMKKBFTXFSPKP-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
COC(=O)Cc1cc(C#N)cc([O-])c1[N+](=O)[O-]	ZINC000575391730	386963101	/nfs/dbraw/zinc/96/31/01/386963101.db2.gz	MKCOZUAOSYFTFQ-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
O=C1[N-]C(=O)C(=CNc2cccc(O)c2)C(=O)N1	ZINC000103235852	388582553	/nfs/dbraw/zinc/58/25/53/388582553.db2.gz	VWMOHDARFHXOSY-LFYBBSHMSA-N	-1	0	247.210	0.077	10	30		BCEERM
C#C[C@H](NC(=O)N(C)CCC(=O)[O-])C(C)C	ZINC000261530568	533321527	/nfs/dbraw/zinc/32/15/27/533321527.db2.gz	IKVALCJYYGCVER-VIFPVBQESA-N	-1	0	226.276	0.760	10	30		BCEERM
N#Cc1cc(N2CCO[C@@H](C(=O)[O-])C2)ccn1	ZINC000061811453	132387199	/nfs/dbraw/zinc/38/71/99/132387199.db2.gz	MNVGNKKPBVMFTP-SNVBAGLBSA-N	-1	0	233.227	0.243	10	30		BCEERM
N#Cc1cc(N2CCO[C@H](C(=O)[O-])C2)ccn1	ZINC000061811452	132387225	/nfs/dbraw/zinc/38/72/25/132387225.db2.gz	MNVGNKKPBVMFTP-JTQLQIEISA-N	-1	0	233.227	0.243	10	30		BCEERM
C=CCC[C@@H](CO)Nc1cnc(C(=O)[O-])cn1	ZINC000263349933	135348512	/nfs/dbraw/zinc/34/85/12/135348512.db2.gz	VGSCHEKTNAYLCJ-QMMMGPOBSA-N	-1	0	237.259	0.914	10	30		BCEERM
C#CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000019506437	166109412	/nfs/dbraw/zinc/10/94/12/166109412.db2.gz	JHWDCYHLJATWJL-SNVBAGLBSA-N	-1	0	233.223	0.137	10	30		BCEERM
C#CC(=O)N[C@]1(C(=O)[O-])CCCC[C@H]1C	ZINC000041037392	166109603	/nfs/dbraw/zinc/10/96/03/166109603.db2.gz	UYUMQAYOKRKRIH-LDYMZIIASA-N	-1	0	209.245	0.769	10	30		BCEERM
C#CC(=O)N1CCCC[C@@H]1CCC(=O)[O-]	ZINC000050921488	166109101	/nfs/dbraw/zinc/10/91/01/166109101.db2.gz	MRYSLDUMUDKSKM-SECBINFHSA-N	-1	0	209.245	0.866	10	30		BCEERM
C#CCNC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000019477639	166180012	/nfs/dbraw/zinc/18/00/12/166180012.db2.gz	RWVFGDLYEUTNSS-NSHDSACASA-N	-1	0	246.266	0.615	10	30		BCEERM
C#CCNC(=O)N[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000070502458	166181012	/nfs/dbraw/zinc/18/10/12/166181012.db2.gz	ADYJVMNHWBACDW-IUCAKERBSA-N	-1	0	224.260	0.562	10	30		BCEERM
C#CCN[C@](C)(C(=O)[O-])c1ccc(O)cc1	ZINC000051963642	166192488	/nfs/dbraw/zinc/19/24/88/166192488.db2.gz	MQSUTNXUWBOKAD-LBPRGKRZSA-N	-1	0	219.240	0.915	10	30		BCEERM
C=CCCO[C@H](C)C(=O)N[C@@H](CF)C(=O)[O-]	ZINC000262980968	166289139	/nfs/dbraw/zinc/28/91/39/166289139.db2.gz	PILXBRCTTSIJRT-SFYZADRCSA-N	-1	0	233.239	0.507	10	30		BCEERM
C=CCNC(=O)N[C@@H](CCC)C(=O)[O-]	ZINC000019505898	166378905	/nfs/dbraw/zinc/37/89/05/166378905.db2.gz	QWJKDQIENVUWNZ-ZETCQYMHSA-N	-1	0	200.238	0.725	10	30		BCEERM
C=CCNC(=O)[C@H](C)N1CCCC[C@@H]1C(=O)[O-]	ZINC000035297314	166386385	/nfs/dbraw/zinc/38/63/85/166386385.db2.gz	UVBBQSUDVTYWQB-VHSXEESVSA-N	-1	0	240.303	0.616	10	30		BCEERM
CC1(C)[C@@H]2CC[C@@]1(C(=O)[O-])C(=O)/C2=N\O	ZINC000026441514	168002952	/nfs/dbraw/zinc/00/29/52/168002952.db2.gz	IFHLHUGNJRJLCS-CKNXXPAGSA-N	-1	0	211.217	0.907	10	30		BCEERM
CC[C@H](C(=O)[O-])S(=O)(=O)CCCC#N	ZINC000082692693	171237609	/nfs/dbraw/zinc/23/76/09/171237609.db2.gz	ISUMHAZFEHTYGL-SSDOTTSWSA-N	-1	0	219.262	0.568	10	30		BCEERM
COc1ccc(C#N)cc1[C@@H]1OC(=O)[N-]C1=O	ZINC000027875658	175051836	/nfs/dbraw/zinc/05/18/36/175051836.db2.gz	OQTOOXAORICWLL-VIFPVBQESA-N	-1	0	232.195	0.874	10	30		BCEERM
C[C@H](CC(=O)[O-])Nc1nccnc1C#N	ZINC000054376598	176602756	/nfs/dbraw/zinc/60/27/56/176602756.db2.gz	QVOSCOXSGPPJOF-ZCFIWIBFSA-N	-1	0	206.205	0.623	10	30		BCEERM
C[C@H](S)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000006858544	177025224	/nfs/dbraw/zinc/02/52/24/177025224.db2.gz	SRIPWKGWOAOUEH-WDSKDSINSA-N	-1	0	203.263	0.380	10	30		BCEERM
Cc1nc(=O)[nH]c(S[C@@H](C)C#N)c1C(=O)[O-]	ZINC000043513285	177505520	/nfs/dbraw/zinc/50/55/20/177505520.db2.gz	ALZQRINICGNOIC-BYPYZUCNSA-N	-1	0	239.256	0.781	10	30		BCEERM
C=CCCNC(=O)N(C)CCC(=O)[O-]	ZINC000168902441	487550937	/nfs/dbraw/zinc/55/09/37/487550937.db2.gz	SZQQZOIWJZPEHB-UHFFFAOYSA-N	-1	0	200.238	0.679	10	30		BCEERM
C=CC[C@H](CO)CNc1cnc(C(=O)[O-])cn1	ZINC000263438252	534403402	/nfs/dbraw/zinc/40/34/02/534403402.db2.gz	WASICRUCLIAJMR-QMMMGPOBSA-N	-1	0	237.259	0.771	10	30		BCEERM
C=CCC[C@@H](NC(=O)c1cnsn1)C(=O)[O-]	ZINC000262960659	534794130	/nfs/dbraw/zinc/79/41/30/534794130.db2.gz	RPPIZEXKXZTKQU-ZCFIWIBFSA-N	-1	0	241.272	0.687	10	30		BCEERM
N#CC[S@@](=O)c1ccc(CC(=O)[O-])cc1	ZINC000082990818	526481613	/nfs/dbraw/zinc/48/16/13/526481613.db2.gz	HHROXIHACZHBKT-HNNXBMFYSA-N	-1	0	223.253	0.945	10	30		BCEERM
N#Cc1c(N)cc(=O)[n-]c1N1CCOCC1	ZINC000675054151	566416512	/nfs/dbraw/zinc/41/65/12/566416512.db2.gz	MBMHENWDGFSFSZ-UHFFFAOYSA-N	-1	0	220.232	0.078	10	30		BCEERM
COc1cc(C#CC(=O)[O-])c(O)c(C=O)c1	ZINC000757566145	586305870	/nfs/dbraw/zinc/30/58/70/586305870.db2.gz	DXDBOVKVDPAYFX-UHFFFAOYSA-N	-1	0	220.180	0.649	10	30		BCEERM
Cn1nc(C(=O)[O-])cc1CNCCC#N	ZINC000757179840	586433442	/nfs/dbraw/zinc/43/34/42/586433442.db2.gz	MPEIUCQGKYODHY-UHFFFAOYSA-N	-1	0	208.221	0.122	10	30		BCEERM
C#CCN(c1nccnc1C(=O)[O-])C1CC1	ZINC000757177120	586433545	/nfs/dbraw/zinc/43/35/45/586433545.db2.gz	JPULXEMNZKCZFO-UHFFFAOYSA-N	-1	0	217.228	0.777	10	30		BCEERM
C=CCN(CC(=O)[O-])C(=O)N[C@H]1CCO[C@H]1C	ZINC000156630055	632395752	/nfs/dbraw/zinc/39/57/52/632395752.db2.gz	OFGGKKPLUJZQOF-IUCAKERBSA-N	-1	0	242.275	0.446	10	30		BCEERM
C#CCNc1cc(C(=O)[O-])c([N+](=O)[O-])cn1	ZINC000236457928	632943062	/nfs/dbraw/zinc/94/30/62/632943062.db2.gz	GDIJBUSSXQKCHS-UHFFFAOYSA-N	-1	0	221.172	0.733	10	30		BCEERM
C=C[C@H](C)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1	ZINC000230119029	641029116	/nfs/dbraw/zinc/02/91/16/641029116.db2.gz	SJXRWCZLANOWOD-BIIVOSGPSA-N	-1	0	213.233	0.309	10	30		BCEERM
C#CC[C@@H](C)Nc1nccc(C(=O)[O-])n1	ZINC000231954239	641219247	/nfs/dbraw/zinc/21/92/47/641219247.db2.gz	CZXYCIBGDRXXES-SSDOTTSWSA-N	-1	0	205.217	0.999	10	30		BCEERM
C#CC[C@H](C)Nc1nccc(C(=O)[O-])n1	ZINC000231954241	641221039	/nfs/dbraw/zinc/22/10/39/641221039.db2.gz	CZXYCIBGDRXXES-ZETCQYMHSA-N	-1	0	205.217	0.999	10	30		BCEERM
C=CCN(CC(=O)[O-])C(=O)[C@H](C)COC	ZINC000191252447	641910620	/nfs/dbraw/zinc/91/06/20/641910620.db2.gz	OENKVFCZQIFWSV-MRVPVSSYSA-N	-1	0	215.249	0.368	10	30		BCEERM
C=CCN(CCO)CC(F)(F)C(=O)[O-]	ZINC000685956694	538903602	/nfs/dbraw/zinc/90/36/02/538903602.db2.gz	ZKNZFTQACGNSKP-UHFFFAOYSA-N	-1	0	209.192	0.187	10	30		BCEERM
C#C[C@@H](C)NC(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000306642400	361767126	/nfs/dbraw/zinc/76/71/26/361767126.db2.gz	SUZAGOWADYUANF-ZCFIWIBFSA-N	-1	0	206.201	0.464	10	30		BCEERM
N#CCCCCn1cc(N)c(C(=O)[O-])n1	ZINC000229717057	538939886	/nfs/dbraw/zinc/93/98/86/538939886.db2.gz	DNEDUQWHQGLMHA-UHFFFAOYSA-N	-1	0	208.221	0.857	10	30		BCEERM
C#CCNC(=O)N1CCCC[C@H]1CC(=O)[O-]	ZINC000040520560	166176753	/nfs/dbraw/zinc/17/67/53/166176753.db2.gz	FSCKTHCHSNINAS-VIFPVBQESA-N	-1	0	224.260	0.658	10	30		BCEERM
Cc1c(C#N)ccc(=O)n1CCC(=O)[O-]	ZINC000306668195	362024746	/nfs/dbraw/zinc/02/47/46/362024746.db2.gz	KCWVMWJOGUQZDM-UHFFFAOYSA-N	-1	0	206.201	0.503	10	30		BCEERM
O=C([O-])c1ccc(/N=C\[C@H](O)CO)cc1	ZINC000039087112	343382013	/nfs/dbraw/zinc/38/20/13/343382013.db2.gz	HTJYHXNYTWHDJQ-BVBCSLMJSA-N	-1	0	209.201	0.440	10	30		BCEERM
N#CCS(=O)(=O)[N-]c1ccc(F)nc1	ZINC000236202096	344317392	/nfs/dbraw/zinc/31/73/92/344317392.db2.gz	ZMXMWAKZYDIWPW-UHFFFAOYSA-N	-1	0	215.209	0.486	10	30		BCEERM
N#Cc1ccc(CC(=O)[O-])c(F)c1CO	ZINC000396145614	344619303	/nfs/dbraw/zinc/61/93/03/344619303.db2.gz	UEJSPWIJPBXQKJ-UHFFFAOYSA-N	-1	0	209.176	0.817	10	30		BCEERM
N#Cc1c(C=O)c([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000396162670	344634755	/nfs/dbraw/zinc/63/47/55/344634755.db2.gz	QOILYNHKNQDYBC-UHFFFAOYSA-N	-1	0	220.140	0.977	10	30		BCEERM
N#Cc1c(C=O)ccc([N+](=O)[O-])c1CC(=O)[O-]	ZINC000514274566	344911178	/nfs/dbraw/zinc/91/11/78/344911178.db2.gz	RRSCDUQPOWCDFN-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
N#Cc1c(CC(=O)[O-])ccc([N+](=O)[O-])c1C=O	ZINC000514276460	344911850	/nfs/dbraw/zinc/91/18/50/344911850.db2.gz	DWFLLACATFOXPT-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
C#CCNc1nc[n-]c(=O)c1Br	ZINC000163844678	345775860	/nfs/dbraw/zinc/77/58/60/345775860.db2.gz	QQZYVLFRIJABQA-UHFFFAOYSA-N	-1	0	228.049	0.578	10	30		BCEERM
C#C[C@@H](C)NC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000166957631	345961380	/nfs/dbraw/zinc/96/13/80/345961380.db2.gz	JMAJMNKGIRUBLK-HTQZYQBOSA-N	-1	0	210.233	0.124	10	30		BCEERM
N#C[C@@H](CO)c1nc[nH]c(=O)c1Br	ZINC000166955311	345961604	/nfs/dbraw/zinc/96/16/04/345961604.db2.gz	DPHIVJLTFUJZNG-BYPYZUCNSA-N	-1	0	244.048	0.132	10	30		BCEERM
N#CC1=C([O-])NC(=S)NC12CCCCC2	ZINC000196307197	347496790	/nfs/dbraw/zinc/49/67/90/347496790.db2.gz	WABRUFLYYQRPGR-SSDOTTSWSA-N	-1	0	223.301	0.833	10	30		BCEERM
C/N=c1\nc(C/C(C)=N/OC)[n-]s1	ZINC000017696936	187415988	/nfs/dbraw/zinc/41/59/88/187415988.db2.gz	ZMOHDRFMNQLORT-BJMVGYQFSA-N	-1	0	200.267	0.567	10	30		BCEERM
CN(CC(=O)[O-])C(=O)NCc1cccc(C#N)c1	ZINC000051668169	350022503	/nfs/dbraw/zinc/02/25/03/350022503.db2.gz	CXCCTUGPYUXGAK-UHFFFAOYSA-N	-1	0	247.254	0.784	10	30		BCEERM
Cc1[nH]c(=O)nc(N=NC(C)C)c1C(=O)[O-]	ZINC000098181216	191061763	/nfs/dbraw/zinc/06/17/63/191061763.db2.gz	CYWDPOSXSGHHBW-UHFFFAOYSA-N	-1	0	224.220	0.997	10	30		BCEERM
Cc1nn(C)c(N(C)CCC(=O)[O-])c1C#N	ZINC000070073431	180352198	/nfs/dbraw/zinc/35/21/98/180352198.db2.gz	QLWHKKSQNOIFCJ-UHFFFAOYSA-N	-1	0	222.248	0.511	10	30		BCEERM
Cc1nn(C)c(N2CCC[C@@H]2C(=O)[O-])c1C#N	ZINC000111615370	180355690	/nfs/dbraw/zinc/35/56/90/180355690.db2.gz	GAHSHJOBKOGQNS-SECBINFHSA-N	-1	0	234.259	0.654	10	30		BCEERM
C=C1CCN(C(=O)N[C@@H](C)C(=O)[O-])CC1	ZINC000306785530	351038047	/nfs/dbraw/zinc/03/80/47/351038047.db2.gz	NRQMMESCMLETDS-QMMMGPOBSA-N	-1	0	212.249	0.821	10	30		BCEERM
N#Cc1ccc(C(=O)N[C@H](CS)C(=O)[O-])o1	ZINC000606301962	351552592	/nfs/dbraw/zinc/55/25/92/351552592.db2.gz	PBKJYOYDRHRTDH-ZCFIWIBFSA-N	-1	0	240.240	0.264	10	30		BCEERM
CC(C)[C@H](NC(=O)[C@@H](C)S)C(=O)[O-]	ZINC000065743188	187498371	/nfs/dbraw/zinc/49/83/71/187498371.db2.gz	LPQVCURJKWLHLV-RITPCOANSA-N	-1	0	205.279	0.530	10	30	in-vitro	BCEERM
C#CCn1cc(OC)c(=O)cc1C(=O)[O-]	ZINC000300919034	363119707	/nfs/dbraw/zinc/11/97/07/363119707.db2.gz	MRWVVAZYYLRUJA-UHFFFAOYSA-N	-1	0	207.185	0.188	10	30		BCEERM
N#CCN(CC#N)C(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000019391568	187761514	/nfs/dbraw/zinc/76/15/14/187761514.db2.gz	JYFAOEPWDJQNRM-NXEZZACHSA-N	-1	0	247.254	0.529	10	30		BCEERM
N#CCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC000037494371	188107344	/nfs/dbraw/zinc/10/73/44/188107344.db2.gz	XZRJLGZGMNLNTI-RKDXNWHRSA-N	-1	0	224.260	0.907	10	30		BCEERM
N#CCN(CC#N)C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000019403148	188108075	/nfs/dbraw/zinc/10/80/75/188108075.db2.gz	GIJRQPUXYVJCFE-ZJUUUORDSA-N	-1	0	249.270	0.753	10	30		BCEERM
CC(=O)c1ccc([O-])c(C(=O)Nc2nn[nH]n2)c1	ZINC000027629172	188110593	/nfs/dbraw/zinc/11/05/93/188110593.db2.gz	NSYOULVCWPFTPN-UHFFFAOYSA-N	-1	0	247.214	0.744	10	30		BCEERM
C=C(C)C(=O)N[C@H](CCSC)C(=O)[O-]	ZINC000033433426	188182999	/nfs/dbraw/zinc/18/29/99/188182999.db2.gz	DORQPWXPGNHZIL-SSDOTTSWSA-N	-1	0	217.290	0.885	10	30		BCEERM
CC(C)(NC(=O)N(CCC#N)C1CC1)C(=O)[O-]	ZINC000042549916	188477578	/nfs/dbraw/zinc/47/75/78/188477578.db2.gz	PCRSGRRTBWGCHG-UHFFFAOYSA-N	-1	0	239.275	0.937	10	30		BCEERM
N#Cc1c(N)cccc1NC(=O)C(=O)[O-]	ZINC000027854633	181076883	/nfs/dbraw/zinc/07/68/83/181076883.db2.gz	KCFPAWNQZGKAEA-UHFFFAOYSA-N	-1	0	205.173	0.164	10	30		BCEERM
N#Cc1cc2cn[nH]c2c(C(=O)[O-])c1N	ZINC000089200390	181093862	/nfs/dbraw/zinc/09/38/62/181093862.db2.gz	RXSIWCUASCUPFB-UHFFFAOYSA-N	-1	0	202.173	0.715	10	30		BCEERM
N#Cc1ccc(-n2[n-]c(=O)cc2N)cc1	ZINC000042372711	181096226	/nfs/dbraw/zinc/09/62/26/181096226.db2.gz	JHFMELRNARECEM-UHFFFAOYSA-N	-1	0	200.201	0.619	10	30		BCEERM
N#Cc1ccc(-n2[n-]c(=O)cc2O)cc1	ZINC000090567356	181117382	/nfs/dbraw/zinc/11/73/82/181117382.db2.gz	QINHGXJVMVHYAT-UHFFFAOYSA-N	-1	0	201.185	0.326	10	30		BCEERM
C=CCNC(=O)c1cnn([C@@H](C)C(=O)[O-])c1	ZINC000020323525	166395595	/nfs/dbraw/zinc/39/55/95/166395595.db2.gz	QSSKUOLCABKCMG-ZETCQYMHSA-N	-1	0	223.232	0.445	10	30		BCEERM
N#Cc1ccccc1N1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000020075454	181147841	/nfs/dbraw/zinc/14/78/41/181147841.db2.gz	OGHRJVLAKAPRGP-GXSJLCMTSA-N	-1	0	232.239	0.582	10	30		BCEERM
N#Cc1ccccc1N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000020075452	181147933	/nfs/dbraw/zinc/14/79/33/181147933.db2.gz	OGHRJVLAKAPRGP-MWLCHTKSSA-N	-1	0	232.239	0.582	10	30		BCEERM
CC(=O)N[C@H](CS)c1ocnc1C(=O)[O-]	ZINC000675060321	538485928	/nfs/dbraw/zinc/48/59/28/538485928.db2.gz	DYAOJLZTWWDZLZ-RXMQYKEDSA-N	-1	0	230.245	0.480	10	30		BCEERM
C=CCN1C(=O)[C@@H](CC(=O)[O-])SC1=S	ZINC000584609130	358269777	/nfs/dbraw/zinc/26/97/77/358269777.db2.gz	SSJWCFPSSQQQKE-RXMQYKEDSA-N	-1	0	231.298	0.876	10	30		BCEERM
CN(C(=O)/C(=N/[O-])[N+](=O)[O-])c1ccccc1	ZINC000584622334	358290113	/nfs/dbraw/zinc/29/01/13/358290113.db2.gz	LKSFOEYHWPZBEM-NTMALXAHSA-N	-1	0	223.188	0.714	10	30		BCEERM
N#Cc1nc(C(=O)[O-])c(N)nc1-c1ncco1	ZINC000584628638	358298163	/nfs/dbraw/zinc/29/81/63/358298163.db2.gz	QSUFBDZVGVJCRL-UHFFFAOYSA-N	-1	0	231.171	0.284	10	30		BCEERM
CCCC1(C(=O)[O-])N=C(C#N)C(C#N)=N1	ZINC000584616595	358281376	/nfs/dbraw/zinc/28/13/76/358281376.db2.gz	XVEVKJHLUNNSGU-UHFFFAOYSA-N	-1	0	204.189	0.510	10	30		BCEERM
C=C[C@@H](C(=O)[O-])N1CCO[C@@H](COCC)C1	ZINC000629371859	361021056	/nfs/dbraw/zinc/02/10/56/361021056.db2.gz	NMGMLTKADFLVPC-ZJUUUORDSA-N	-1	0	229.276	0.363	10	30		BCEERM
C#C[C@@H](CC)Nc1nccnc1C(=O)[O-]	ZINC000230023122	371636328	/nfs/dbraw/zinc/63/63/28/371636328.db2.gz	VMONHINQOJOYKE-ZETCQYMHSA-N	-1	0	205.217	0.999	10	30		BCEERM
CC(C)(Nc1nccc(C#N)n1)C(=O)[O-]	ZINC000231892804	372085082	/nfs/dbraw/zinc/08/50/82/372085082.db2.gz	LDHITHAPDHDROU-UHFFFAOYSA-N	-1	0	206.205	0.623	10	30		BCEERM
N#CCS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000068984315	373101823	/nfs/dbraw/zinc/10/18/23/373101823.db2.gz	HYPDKNRZWPZQGQ-UHFFFAOYSA-N	-1	0	215.186	0.275	10	30		BCEERM
CSc1nn(CC(=O)[O-])c(N)c1C#N	ZINC000070824744	374193271	/nfs/dbraw/zinc/19/32/71/374193271.db2.gz	HLYHFRMFCRRITI-UHFFFAOYSA-N	-1	0	212.234	0.143	10	30		BCEERM
CCCN(CC(=O)[O-])C(=O)N(C)C[C@@H](C)C#N	ZINC000042461983	169097475	/nfs/dbraw/zinc/09/74/75/169097475.db2.gz	UXHFGVSMCNZAEJ-VIFPVBQESA-N	-1	0	241.291	0.994	10	30		BCEERM
C=C(Br)CN1C(=O)CC[C@@H]1C(=O)[O-]	ZINC000061447627	384441844	/nfs/dbraw/zinc/44/18/44/384441844.db2.gz	NCTYWDAVFTVZIE-ZCFIWIBFSA-N	-1	0	248.076	0.971	10	30		BCEERM
COn1c2cc(C#N)ccc2nc1C(=O)[O-]	ZINC000253564302	385683947	/nfs/dbraw/zinc/68/39/47/385683947.db2.gz	GJAQKRQBARATTI-UHFFFAOYSA-N	-1	0	217.184	0.665	10	30		BCEERM
C#CC(=O)N1CCC[C@](CC)(C(=O)[O-])C1	ZINC000062869697	386528674	/nfs/dbraw/zinc/52/86/74/386528674.db2.gz	JZHPCQJFLRKZQD-NSHDSACASA-N	-1	0	209.245	0.723	10	30		BCEERM
COC(=O)Cc1c(C#N)ccc([O-])c1[N+](=O)[O-]	ZINC000575391461	386959807	/nfs/dbraw/zinc/95/98/07/386959807.db2.gz	IJWMNSRVXZTXLA-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
N#Cc1cc(CO)c(CC(=O)[O-])c([N+](=O)[O-])c1	ZINC000575391103	386960055	/nfs/dbraw/zinc/96/00/55/386960055.db2.gz	GGTDXBBIWUHOOL-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
N#Cc1cc(C=O)cc([N+](=O)[O-])c1CC(=O)[O-]	ZINC000575390917	386960465	/nfs/dbraw/zinc/96/04/65/386960465.db2.gz	JJCZQVLSYMYZQK-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
COC(=O)Cc1ccc([O-])c(C#N)c1[N+](=O)[O-]	ZINC000575391179	386962470	/nfs/dbraw/zinc/96/24/70/386962470.db2.gz	AFQHSFQCWWGBCK-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
COC(=O)Cc1c(C#N)cc([O-])cc1[N+](=O)[O-]	ZINC000575391939	386963908	/nfs/dbraw/zinc/96/39/08/386963908.db2.gz	XGHXJFPPWPGSBC-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
Cn1cc(Br)c(C#CC(=O)[O-])n1	ZINC000575484270	387197313	/nfs/dbraw/zinc/19/73/13/387197313.db2.gz	SWGVUCVJIIWJFJ-UHFFFAOYSA-N	-1	0	229.033	0.619	10	30		BCEERM
COC(=O)Cc1c([O-])cc(C#N)cc1[N+](=O)[O-]	ZINC000575391388	388595036	/nfs/dbraw/zinc/59/50/36/388595036.db2.gz	FLYBKSJBUPZPQX-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
C#CC[C@H](NS(=O)(=O)CCC(C)C)C(=O)[O-]	ZINC000127522298	133471076	/nfs/dbraw/zinc/47/10/76/133471076.db2.gz	OPCWSBNKSLCMPZ-VIFPVBQESA-N	-1	0	247.316	0.428	10	30		BCEERM
CC#CCCNC(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000125923670	133633291	/nfs/dbraw/zinc/63/32/91/133633291.db2.gz	DHJXVUCKQLWYGA-SECBINFHSA-N	-1	0	226.276	0.762	10	30		BCEERM
C=CCC[C@@H](NC(=O)[C@@H](C)COC)C(=O)[O-]	ZINC000262786220	135318407	/nfs/dbraw/zinc/31/84/07/135318407.db2.gz	BLTFMHAOXLDRBP-DTWKUNHWSA-N	-1	0	229.276	0.805	10	30		BCEERM
C#CC(=O)Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000037583190	166109222	/nfs/dbraw/zinc/10/92/22/166109222.db2.gz	BYBJHBREXGPEHK-UHFFFAOYSA-N	-1	0	234.167	0.865	10	30		BCEERM
C#CC(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000019485195	166109380	/nfs/dbraw/zinc/10/93/80/166109380.db2.gz	QTNXNBJVAKMKIF-SNVBAGLBSA-N	-1	0	203.197	0.562	10	30		BCEERM
C#CC(=O)N[C@@]1(C(=O)[O-])CCC[C@H](C)C1	ZINC000041034039	166108401	/nfs/dbraw/zinc/10/84/01/166108401.db2.gz	FTFYDAWPDIMPPR-KWQFWETISA-N	-1	0	209.245	0.769	10	30		BCEERM
C#CC(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000042431728	166109033	/nfs/dbraw/zinc/10/90/33/166109033.db2.gz	DPMADLXXKWDWAI-UHFFFAOYSA-N	-1	0	205.169	0.662	10	30		BCEERM
C#CC(=O)N[C@@H](C(=O)[O-])C1CCCCC1	ZINC000038036271	166108724	/nfs/dbraw/zinc/10/87/24/166108724.db2.gz	GUEPKQXEVOCWDE-SNVBAGLBSA-N	-1	0	209.245	0.769	10	30		BCEERM
C#CC(=O)N[C@@]1(C(=O)[O-])CCC[C@@H](C)C1	ZINC000041034038	166108732	/nfs/dbraw/zinc/10/87/32/166108732.db2.gz	FTFYDAWPDIMPPR-KCJUWKMLSA-N	-1	0	209.245	0.769	10	30		BCEERM
C#CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000019505523	166108740	/nfs/dbraw/zinc/10/87/40/166108740.db2.gz	TZTUTSGOLFNUQE-LLVKDONJSA-N	-1	0	229.235	0.658	10	30		BCEERM
C#CCNC(=O)N[C@@]1(C(=O)[O-])CCCC[C@H]1C	ZINC000019430153	166179437	/nfs/dbraw/zinc/17/94/37/166179437.db2.gz	COMZJHJTFUCBGT-SKDRFNHKSA-N	-1	0	238.287	0.952	10	30		BCEERM
C#CCNC(=O)N[C@]1(C(=O)[O-])CCCC[C@H]1C	ZINC000019430157	166181825	/nfs/dbraw/zinc/18/18/25/166181825.db2.gz	COMZJHJTFUCBGT-BXKDBHETSA-N	-1	0	238.287	0.952	10	30		BCEERM
C=CCNC(=O)C[C@H](C(=O)[O-])c1ccccn1	ZINC000076615828	166373919	/nfs/dbraw/zinc/37/39/19/166373919.db2.gz	ALQBAMOVRCGOTJ-VIFPVBQESA-N	-1	0	234.255	0.942	10	30		BCEERM
C=CCNC(=O)[C@@H](C)n1ccc(C(=O)[O-])n1	ZINC000020320723	166385421	/nfs/dbraw/zinc/38/54/21/166385421.db2.gz	YABIMNPVSGIRTP-SSDOTTSWSA-N	-1	0	223.232	0.445	10	30		BCEERM
CC(C)[C@@H](C(=O)[O-])S(=O)(=O)CC#N	ZINC000058262307	167347096	/nfs/dbraw/zinc/34/70/96/167347096.db2.gz	QECKAVVNGAXPBO-LURJTMIESA-N	-1	0	205.235	0.034	10	30		BCEERM
C=C[C@H](C(=O)[O-])N(C)Cc1cnn(CC)c1	ZINC000652414545	411234406	/nfs/dbraw/zinc/23/44/06/411234406.db2.gz	GFYGGTDTNJREJO-SNVBAGLBSA-N	-1	0	223.276	0.974	10	30		BCEERM
COc1ccccc1-n1cc(C#N)c(=O)[n-]c1=O	ZINC000039370119	175312599	/nfs/dbraw/zinc/31/25/99/175312599.db2.gz	AOBNQLPSWDRTEQ-UHFFFAOYSA-N	-1	0	243.222	0.818	10	30		BCEERM
C[C@@H](CC#N)N(C)C(=O)N[C@@H](C(=O)[O-])C1CC1	ZINC000063097164	175637901	/nfs/dbraw/zinc/63/79/01/175637901.db2.gz	JNWACHVHPUUJMD-IONNQARKSA-N	-1	0	239.275	0.793	10	30		BCEERM
C[C@@H](S)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000006858555	176006612	/nfs/dbraw/zinc/00/66/12/176006612.db2.gz	SRIPWKGWOAOUEH-RITPCOANSA-N	-1	0	203.263	0.380	10	30		BCEERM
C[C@@]1(c2cccnc2)OC(C(=O)[O-])=CC1=O	ZINC000040585093	176547820	/nfs/dbraw/zinc/54/78/20/176547820.db2.gz	USBLGWSXFJWTQZ-NSHDSACASA-N	-1	0	219.196	0.865	10	30		BCEERM
C=CCOCCNC(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000304233553	487482333	/nfs/dbraw/zinc/48/23/33/487482333.db2.gz	LOIKWZNZTZIJRN-VIFPVBQESA-N	-1	0	244.291	0.551	10	30		BCEERM
C#C[C@H]1CCCN1c1cncc(C(=O)[O-])n1	ZINC000757177315	582552596	/nfs/dbraw/zinc/55/25/96/582552596.db2.gz	ZSLLVJNWXMSYLG-QMMMGPOBSA-N	-1	0	217.228	0.777	10	30		BCEERM
C#CCN(c1ccc(C(=O)[O-])nn1)C1CC1	ZINC000757176002	582553262	/nfs/dbraw/zinc/55/32/62/582553262.db2.gz	RCNVTHAJLJUXEM-UHFFFAOYSA-N	-1	0	217.228	0.777	10	30		BCEERM
C#CCN(c1cnc(C(=O)[O-])cn1)C1CC1	ZINC000757180542	582553609	/nfs/dbraw/zinc/55/36/09/582553609.db2.gz	XGCZNXZPSMFDRP-UHFFFAOYSA-N	-1	0	217.228	0.777	10	30		BCEERM
C#C[C@@H]1CCCN1c1cnc(C(=O)[O-])cn1	ZINC000757180334	582553743	/nfs/dbraw/zinc/55/37/43/582553743.db2.gz	ISUCGEKRMKWTLR-MRVPVSSYSA-N	-1	0	217.228	0.777	10	30		BCEERM
CC(C)(C#N)CC(=O)N1CCC[C@H]1c1nnn[n-]1	ZINC000900391635	584301202	/nfs/dbraw/zinc/30/12/02/584301202.db2.gz	DTVIEZYNJBVCSE-QMMMGPOBSA-N	-1	0	248.290	0.803	10	30		BCEERM
C#CCOc1ccc(C#CC(=O)[O-])cc1C=O	ZINC000757569766	586380969	/nfs/dbraw/zinc/38/09/69/586380969.db2.gz	WVLQJVDLABDOPD-UHFFFAOYSA-N	-1	0	228.203	0.947	10	30		BCEERM
C#CCN(CC)c1nc(C)ncc1C(=O)[O-]	ZINC000300987053	592527160	/nfs/dbraw/zinc/52/71/60/592527160.db2.gz	ZOQCKYXZHLFBRS-UHFFFAOYSA-N	-1	0	219.244	0.943	10	30		BCEERM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CCO[C@@H]1C	ZINC000156629697	632395705	/nfs/dbraw/zinc/39/57/05/632395705.db2.gz	OFGGKKPLUJZQOF-RKDXNWHRSA-N	-1	0	242.275	0.446	10	30		BCEERM
C#CC[C@H](NC(=O)[C@H]1CC[C@H](C)O1)C(=O)[O-]	ZINC000127398885	636505790	/nfs/dbraw/zinc/50/57/90/636505790.db2.gz	SMNDTZWUXABXJJ-XHNCKOQMSA-N	-1	0	225.244	0.147	10	30		BCEERM
C#CCN(C)c1nccc(C(=O)[O-])c1F	ZINC000164122686	640450659	/nfs/dbraw/zinc/45/06/59/640450659.db2.gz	GRXXBXCPNZMDKM-UHFFFAOYSA-N	-1	0	208.192	0.988	10	30		BCEERM
C#C[C@H](CC)Nc1nccc(C(=O)[O-])n1	ZINC000230022915	641005813	/nfs/dbraw/zinc/00/58/13/641005813.db2.gz	CRTYRNGBGGXKBF-SSDOTTSWSA-N	-1	0	205.217	0.999	10	30		BCEERM
N#Cc1cc(C[C@@H](O)C(=O)[O-])ccc1F	ZINC000076164756	641155184	/nfs/dbraw/zinc/15/51/84/641155184.db2.gz	UIFNQLGKKZMMJP-SECBINFHSA-N	-1	0	209.176	0.685	10	30		BCEERM
CC#CCNc1nc(C)cc(C(=O)[O-])n1	ZINC000231954100	641220616	/nfs/dbraw/zinc/22/06/16/641220616.db2.gz	XUOLBVSRZXFXHZ-UHFFFAOYSA-N	-1	0	205.217	0.918	10	30		BCEERM
CS(=O)(=O)[N-]C(=O)c1sccc1C#N	ZINC000158603823	641641329	/nfs/dbraw/zinc/64/13/29/641641329.db2.gz	QJWLYFQVOROWKM-UHFFFAOYSA-N	-1	0	230.270	0.309	10	30		BCEERM
N#C[C@H]1CCN(CC(F)(F)C(=O)[O-])C1	ZINC000685956898	538901848	/nfs/dbraw/zinc/90/18/48/538901848.db2.gz	JAEGZPFCJWQSFH-ZCFIWIBFSA-N	-1	0	204.176	0.552	10	30		BCEERM
C#CCNC(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000040520306	166176075	/nfs/dbraw/zinc/17/60/75/166176075.db2.gz	KALJNGGUSHRWEF-QMMMGPOBSA-N	-1	0	210.233	0.268	10	30		BCEERM
C=C(CN1C(=O)c2ccccc2C1=O)C(=O)[O-]	ZINC000034514856	346871437	/nfs/dbraw/zinc/87/14/37/346871437.db2.gz	DPCXXNHMYHXUGL-UHFFFAOYSA-N	-1	0	231.207	0.923	10	30		BCEERM
N#CCS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000036893958	343075186	/nfs/dbraw/zinc/07/51/86/343075186.db2.gz	MFJTZWZLLPSZDJ-UHFFFAOYSA-N	-1	0	243.215	0.821	10	30		BCEERM
COCCCNc1nonc1/C(Cl)=N/[O-]	ZINC000113203477	343120311	/nfs/dbraw/zinc/12/03/11/343120311.db2.gz	ZGPRXMLBTVQYLW-POHAHGRESA-N	-1	0	234.643	0.893	10	30		BCEERM
S=C1C=CNN[C@@]2([S-])ON=CN12	ZINC000039124966	343385911	/nfs/dbraw/zinc/38/59/11/343385911.db2.gz	UPCLIOWBCHCWSB-YFKPBYRVSA-N	-1	0	202.264	0.163	10	30		BCEERM
C#CCON=c1nc(N(C)C)nc(Cl)[n-]1	ZINC000306555389	343857246	/nfs/dbraw/zinc/85/72/46/343857246.db2.gz	BWVIVYGBUFMRKC-UHFFFAOYSA-N	-1	0	227.655	0.568	10	30		BCEERM
Cc1cc(CC(=O)[O-])c(CO)cc1C#N	ZINC000396151098	344623678	/nfs/dbraw/zinc/62/36/78/344623678.db2.gz	BOTHDPYEVLYLSF-UHFFFAOYSA-N	-1	0	205.213	0.986	10	30		BCEERM
Cc1cc(CO)cc(CC(=O)[O-])c1C#N	ZINC000396166043	344635982	/nfs/dbraw/zinc/63/59/82/344635982.db2.gz	SZTXAVLOIAKVSW-UHFFFAOYSA-N	-1	0	205.213	0.986	10	30		BCEERM
Cc1c(CC(=O)[O-])ccc(C#N)c1CO	ZINC000396167911	344636825	/nfs/dbraw/zinc/63/68/25/344636825.db2.gz	WJMPFPIQMJOFSC-UHFFFAOYSA-N	-1	0	205.213	0.986	10	30		BCEERM
N#Cc1ccc(CC(=O)[O-])c(CO)c1[N+](=O)[O-]	ZINC000514275957	344911826	/nfs/dbraw/zinc/91/18/26/344911826.db2.gz	JEJVZHKNCNEXHA-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
N#Cc1c(CC(=O)[O-])ccc([N+](=O)[O-])c1CO	ZINC000514276573	344911932	/nfs/dbraw/zinc/91/19/32/344911932.db2.gz	XWKRVTIXHYHKCR-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
C#C[C@H](C)NC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000166957331	345961593	/nfs/dbraw/zinc/96/15/93/345961593.db2.gz	JMAJMNKGIRUBLK-YUMQZZPRSA-N	-1	0	210.233	0.124	10	30		BCEERM
Cc1cc(Cl)nc([N-]S(=O)(=O)CC#N)n1	ZINC000235845165	345947042	/nfs/dbraw/zinc/94/70/42/345947042.db2.gz	XTEKIDSYFPTWMZ-UHFFFAOYSA-N	-1	0	246.679	0.704	10	30		BCEERM
C#CCC(=O)Nc1nccnc1C(=O)[O-]	ZINC000236467383	346242549	/nfs/dbraw/zinc/24/25/49/346242549.db2.gz	PHQZWZVJGPJAKQ-UHFFFAOYSA-N	-1	0	205.173	0.137	10	30		BCEERM
C#CC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1	ZINC000062869698	347216898	/nfs/dbraw/zinc/21/68/98/347216898.db2.gz	JZHPCQJFLRKZQD-LLVKDONJSA-N	-1	0	209.245	0.723	10	30		BCEERM
C=C(Cl)CN1N=C(C(=O)[O-])CCC1=O	ZINC000036771772	187418411	/nfs/dbraw/zinc/41/84/11/187418411.db2.gz	GLQNMHDFXPAJMG-UHFFFAOYSA-N	-1	0	216.624	0.802	10	30		BCEERM
N#Cc1ccc2nc(C(=O)[O-])c(=O)[nH]c2c1	ZINC000222915963	350256071	/nfs/dbraw/zinc/25/60/71/350256071.db2.gz	YJJFXNJNNQFMJO-UHFFFAOYSA-N	-1	0	215.168	0.493	10	30		BCEERM
C[C@@H]1CC[C@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)O1	ZINC000159622156	350955483	/nfs/dbraw/zinc/95/54/83/350955483.db2.gz	DJUIXGWGOCGZIO-HZGVNTEJSA-N	-1	0	245.242	0.659	10	30		BCEERM
C#CCN(C)c1nc(C)cc(C(=O)[O-])n1	ZINC000231953545	351480961	/nfs/dbraw/zinc/48/09/61/351480961.db2.gz	MSKCMJWTBWQHSY-UHFFFAOYSA-N	-1	0	205.217	0.553	10	30		BCEERM
C#C[C@@H](C)Oc1nc(C)cc(C(=O)[O-])n1	ZINC000231957736	351482560	/nfs/dbraw/zinc/48/25/60/351482560.db2.gz	YZZJIBCZBDMPMT-SSDOTTSWSA-N	-1	0	206.201	0.884	10	30		BCEERM
CC(C)N(CC(=O)[O-])C(=O)[C@@H](C)CS	ZINC000027721645	187493729	/nfs/dbraw/zinc/49/37/29/187493729.db2.gz	CXBHQULQNOOTII-ZETCQYMHSA-N	-1	0	219.306	0.874	10	30		BCEERM
CS/C(=N/C#N)N1CCC(C(=O)[O-])CC1	ZINC000073736648	187771044	/nfs/dbraw/zinc/77/10/44/187771044.db2.gz	UIDHONQPYWNBPY-PKNBQFBNSA-N	-1	0	227.289	0.983	10	30		BCEERM
C=CCNC(=O)CCn1ccc(C(=O)[O-])n1	ZINC000020322045	166366138	/nfs/dbraw/zinc/36/61/38/166366138.db2.gz	ZANOWVUOXRYYGO-UHFFFAOYSA-N	-1	0	223.232	0.274	10	30		BCEERM
N#CCCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000037494362	188107284	/nfs/dbraw/zinc/10/72/84/188107284.db2.gz	ANKAONXKVJIVKX-BDAKNGLRSA-N	-1	0	222.244	0.683	10	30		BCEERM
C=CCNC(=O)C[C@@H](C(=O)[O-])c1cccnc1	ZINC000076615838	166372402	/nfs/dbraw/zinc/37/24/02/166372402.db2.gz	KSIBGPYGKZWGDC-SNVBAGLBSA-N	-1	0	234.255	0.942	10	30		BCEERM
CC#CCNC(=O)NC1(C(=O)[O-])CCCC1	ZINC000051662712	188157210	/nfs/dbraw/zinc/15/72/10/188157210.db2.gz	BFSJKNDSNJTOJR-UHFFFAOYSA-N	-1	0	224.260	0.706	10	30		BCEERM
C#CC[C@@H](NC(=O)c1ccccc1)C(=O)[O-]	ZINC000059926611	188184132	/nfs/dbraw/zinc/18/41/32/188184132.db2.gz	XGCXUUMQCVXJEC-SNVBAGLBSA-N	-1	0	217.224	0.893	10	30		BCEERM
C#CC[C@@H](Nc1ncc(F)cn1)C(=O)[O-]	ZINC000128433857	353291021	/nfs/dbraw/zinc/29/10/21/353291021.db2.gz	MEQAJEXZCZCMFY-SSDOTTSWSA-N	-1	0	209.180	0.504	10	30		BCEERM
C#C[C@H](C)NC(=O)c1cc(C(=O)[O-])on1	ZINC000230053981	353422034	/nfs/dbraw/zinc/42/20/34/353422034.db2.gz	SXGGHEODUUEPLW-YFKPBYRVSA-N	-1	0	208.173	0.124	10	30		BCEERM
C#Cc1cc2cn[nH]c2c(C(=O)[O-])c1N	ZINC000089200399	188451167	/nfs/dbraw/zinc/45/11/67/188451167.db2.gz	RKZCKVOCYPLULN-UHFFFAOYSA-N	-1	0	201.185	0.825	10	30		BCEERM
N#CCN(CC#N)c1ccc(N)cc1C(=O)[O-]	ZINC000037930421	181040153	/nfs/dbraw/zinc/04/01/53/181040153.db2.gz	QNJAAFWNAAXRQX-UHFFFAOYSA-N	-1	0	230.227	0.821	10	30		BCEERM
N#CNN=CNc1ccc(C(=O)[O-])cc1	ZINC000039085449	181053017	/nfs/dbraw/zinc/05/30/17/181053017.db2.gz	HBNPWFULCXYJTA-UHFFFAOYSA-N	-1	0	204.189	0.811	10	30		BCEERM
N#Cc1c(F)cccc1NC(=O)C(=O)[O-]	ZINC000036158575	181075363	/nfs/dbraw/zinc/07/53/63/181075363.db2.gz	XIQWMOTWBRGIDW-UHFFFAOYSA-N	-1	0	208.148	0.720	10	30		BCEERM
N#C[C@H]1CCC[C@@H]1NC(=O)/C=C/C(=O)[O-]	ZINC000061889923	181069093	/nfs/dbraw/zinc/06/90/93/181069093.db2.gz	OEBASLJGMORBFH-VWFQECGMSA-N	-1	0	208.217	0.436	10	30		BCEERM
CCC#CC[C@H](C[C@H]([NH3+])C(=O)[O-])C(=O)[O-]	ZINC000001903204	188585838	/nfs/dbraw/zinc/58/58/38/188585838.db2.gz	IYWDAKBOEQTXJL-SFYZADRCSA-N	-1	0	213.233	0.293	10	30		BCEERM
N#Cc1cc(N)ccc1NCc1nnn[n-]1	ZINC000044925867	181089080	/nfs/dbraw/zinc/08/90/80/181089080.db2.gz	BJMDJKJSXYFTRR-UHFFFAOYSA-N	-1	0	215.220	0.266	10	30		BCEERM
N#Cc1cc(NCc2nnn[n-]2)ccn1	ZINC000061812121	181092013	/nfs/dbraw/zinc/09/20/13/181092013.db2.gz	UXECLWWDEIYEDR-UHFFFAOYSA-N	-1	0	201.193	0.078	10	30		BCEERM
N#Cc1cccnc1-n1cc(C(=O)[O-])cn1	ZINC000043299373	181150775	/nfs/dbraw/zinc/15/07/75/181150775.db2.gz	JDNOZPISVQEJCA-UHFFFAOYSA-N	-1	0	214.184	0.837	10	30		BCEERM
N#Cc1cn(-c2ccc(F)cc2)c(=O)[n-]c1=O	ZINC000039370148	181161495	/nfs/dbraw/zinc/16/14/95/181161495.db2.gz	YWRWOANWXOHXHJ-UHFFFAOYSA-N	-1	0	231.186	0.949	10	30		BCEERM
N#Cc1nccnc1N1CCC[C@@H]1C(=O)[O-]	ZINC000054376613	181172939	/nfs/dbraw/zinc/17/29/39/181172939.db2.gz	JYXSPEZRAUOHTA-MRVPVSSYSA-N	-1	0	218.216	0.402	10	30		BCEERM
C=C(Br)Cn1c(=O)[n-][nH]c1=S	ZINC000168377855	356859306	/nfs/dbraw/zinc/85/93/06/356859306.db2.gz	ZDOOEVIQSSRRLN-UHFFFAOYSA-N	-1	0	236.094	0.769	10	30		BCEERM
CCOC(=O)c1cc(C#N)c(=O)[n-]c1N	ZINC000238304563	360827815	/nfs/dbraw/zinc/82/78/15/360827815.db2.gz	REMCWXUCWTVPAL-UHFFFAOYSA-N	-1	0	207.189	0.005	10	30		BCEERM
C=C(Cn1c(C)cc(C)nc1=O)C(=O)[O-]	ZINC000069907286	361002062	/nfs/dbraw/zinc/00/20/62/361002062.db2.gz	DHEWCMWZDXGWCS-UHFFFAOYSA-N	-1	0	208.217	0.501	10	30		BCEERM
C#CC(C)(C)Nc1cnc(C(=O)[O-])cn1	ZINC000070582508	361571343	/nfs/dbraw/zinc/57/13/43/361571343.db2.gz	FNZNSJDHBGCRIM-UHFFFAOYSA-N	-1	0	205.217	0.999	10	30		BCEERM
CC[C@H](C(=O)[O-])n1cnc(C#N)c1C#N	ZINC000163336914	371977504	/nfs/dbraw/zinc/97/75/04/371977504.db2.gz	MUQKJURKDNQCFU-SSDOTTSWSA-N	-1	0	204.189	0.662	10	30		BCEERM
O=C([O-])[C@@H](CS)NC(=O)Cc1ccccc1	ZINC000028972393	182044257	/nfs/dbraw/zinc/04/42/57/182044257.db2.gz	MDBITHZZHAXREB-SECBINFHSA-N	-1	0	239.296	0.728	10	30		BCEERM
C[C@H](C#N)S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000068984313	373101355	/nfs/dbraw/zinc/10/13/55/373101355.db2.gz	VODNVZMQTLZGQO-RXMQYKEDSA-N	-1	0	229.213	0.664	10	30		BCEERM
C[C@H](C#N)[S@@](=O)c1ccc(C(=O)[O-])o1	ZINC000068984420	373102441	/nfs/dbraw/zinc/10/24/41/373102441.db2.gz	JFWFSCTZYLYFQG-YYNRFHATSA-N	-1	0	213.214	0.997	10	30		BCEERM
C[C@@H](CC(=O)[O-])Nc1cnc(C#N)cn1	ZINC000070581070	374147361	/nfs/dbraw/zinc/14/73/61/374147361.db2.gz	KMXULNIGDDLJRJ-LURJTMIESA-N	-1	0	206.205	0.623	10	30		BCEERM
CCN(CCC(=O)[O-])C(=O)CSCC#N	ZINC000038022342	169817416	/nfs/dbraw/zinc/81/74/16/169817416.db2.gz	AIEIOCXTIYTVMS-UHFFFAOYSA-N	-1	0	230.289	0.566	10	30		BCEERM
COC(=O)c1cc(=O)[n-]c(OC)c1C#N	ZINC000098178925	384498867	/nfs/dbraw/zinc/49/88/67/384498867.db2.gz	LXDOEMRSJGLHID-UHFFFAOYSA-N	-1	0	208.173	0.042	10	30		BCEERM
C=CCCCN1Cc2nncn2C[C@H]1C(=O)[O-]	ZINC000643881230	384721034	/nfs/dbraw/zinc/72/10/34/384721034.db2.gz	HKGURQXRSCPALK-VIFPVBQESA-N	-1	0	236.275	0.513	10	30		BCEERM
C[C@@H](C#N)N1CCS[C@@H](C(=O)[O-])C1	ZINC000575574772	386172035	/nfs/dbraw/zinc/17/20/35/386172035.db2.gz	ACWRKYVWUSSUEC-NKWVEPMBSA-N	-1	0	200.263	0.400	10	30		BCEERM
COC(=O)Cc1ccc([N+](=O)[O-])c([O-])c1C#N	ZINC000575391243	386958904	/nfs/dbraw/zinc/95/89/04/386958904.db2.gz	BPTHZQZAOAEQCH-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
N#Cc1ccc([N+](=O)[O-])c(CO)c1CC(=O)[O-]	ZINC000575391113	386962690	/nfs/dbraw/zinc/96/26/90/386962690.db2.gz	HQNWUXUEYAFIOY-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
C[C@@H](C#N)N1CCS[C@H](C(=O)[O-])C1	ZINC000575574762	386975423	/nfs/dbraw/zinc/97/54/23/386975423.db2.gz	ACWRKYVWUSSUEC-BQBZGAKWSA-N	-1	0	200.263	0.400	10	30		BCEERM
CC/N=C1/S[C@H](CC(=O)[O-])C(=O)N1CC	ZINC000011666881	386991442	/nfs/dbraw/zinc/99/14/42/386991442.db2.gz	GNIQDUCUSLHMDD-VQAQDHJASA-N	-1	0	230.289	0.801	10	30		BCEERM
O=C1[N-]C(=O)C(=CNc2ccccc2O)C(=O)N1	ZINC000103235845	388582086	/nfs/dbraw/zinc/58/20/86/388582086.db2.gz	NHTHDWFOWLEDID-LFYBBSHMSA-N	-1	0	247.210	0.077	10	30		BCEERM
Cc1cc(=O)c(C#N)c2c(C#N)c(N)[n-]n21	ZINC000100375981	177713268	/nfs/dbraw/zinc/71/32/68/177713268.db2.gz	SBVKBCDCWWODKH-UHFFFAOYSA-N	-1	0	213.200	0.262	10	30		BCEERM
C=C(C)COCCNC(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC000262176088	135284026	/nfs/dbraw/zinc/28/40/26/135284026.db2.gz	QSTKCDOHSNNJAI-NXEZZACHSA-N	-1	0	241.287	0.806	10	30		BCEERM
C#CCON=c1[nH]ccc(C(=O)[O-])c1F	ZINC000307120478	397981347	/nfs/dbraw/zinc/98/13/47/397981347.db2.gz	HLILPBHDKMCBTB-UHFFFAOYSA-N	-1	0	210.164	0.896	10	30		BCEERM
C#CC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000019482096	166109384	/nfs/dbraw/zinc/10/93/84/166109384.db2.gz	QZSACNVLSDKAAH-UHFFFAOYSA-N	-1	0	246.222	0.073	10	30		BCEERM
C#CC(=O)N[C@]1(C(=O)[O-])CCC[C@@H](C)C1	ZINC000041034036	166107999	/nfs/dbraw/zinc/10/79/99/166107999.db2.gz	FTFYDAWPDIMPPR-LDYMZIIASA-N	-1	0	209.245	0.769	10	30		BCEERM
C#CC(=O)Nc1ccccc1CC(=O)[O-]	ZINC000053200145	166107933	/nfs/dbraw/zinc/10/79/33/166107933.db2.gz	IVMKUPIWKYUZEU-UHFFFAOYSA-N	-1	0	203.197	0.885	10	30		BCEERM
C#CCCNC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000019513816	166143431	/nfs/dbraw/zinc/14/34/31/166143431.db2.gz	FUZQORNOSWARHB-QMMMGPOBSA-N	-1	0	212.249	0.418	10	30		BCEERM
C#CCNC(=O)N[C@](C)(C(=O)[O-])C1CC1	ZINC000019512937	166181740	/nfs/dbraw/zinc/18/17/40/166181740.db2.gz	TVYXZLJNZYLXIS-JTQLQIEISA-N	-1	0	210.233	0.172	10	30		BCEERM
C#CCNC(=O)[C@@H](C)SCCC(=O)[O-]	ZINC000034938415	166182981	/nfs/dbraw/zinc/18/29/81/166182981.db2.gz	NWSBOUHCIDDYPP-SSDOTTSWSA-N	-1	0	215.274	0.332	10	30		BCEERM
C=CCCO[C@H](C)C(=O)N[C@H](CF)C(=O)[O-]	ZINC000262980965	166289418	/nfs/dbraw/zinc/28/94/18/166289418.db2.gz	PILXBRCTTSIJRT-HTQZYQBOSA-N	-1	0	233.239	0.507	10	30		BCEERM
C=CCNC(=O)C[C@H](C(=O)[O-])c1ccncc1	ZINC000076615842	166373769	/nfs/dbraw/zinc/37/37/69/166373769.db2.gz	CRBXBUJTTCJDED-JTQLQIEISA-N	-1	0	234.255	0.942	10	30		BCEERM
C=CCNC(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000040521411	166376001	/nfs/dbraw/zinc/37/60/01/166376001.db2.gz	HQCSJMJGDJVILI-SFYZADRCSA-N	-1	0	228.248	0.056	10	30		BCEERM
C=CCNC(=O)N[C@H](CCC)C(=O)[O-]	ZINC000019505896	166380857	/nfs/dbraw/zinc/38/08/57/166380857.db2.gz	QWJKDQIENVUWNZ-SSDOTTSWSA-N	-1	0	200.238	0.725	10	30		BCEERM
C=CCOCCCNC(=O)N(C)CCC(=O)[O-]	ZINC000659411816	411412966	/nfs/dbraw/zinc/41/29/66/411412966.db2.gz	FADWEGHRXNSWEC-UHFFFAOYSA-N	-1	0	244.291	0.695	10	30		BCEERM
C[C@@H](Oc1ccc(C#N)cc1N)C(=O)[O-]	ZINC000043623610	176003574	/nfs/dbraw/zinc/00/35/74/176003574.db2.gz	QWYSZQMXAQNRJT-ZCFIWIBFSA-N	-1	0	206.201	0.992	10	30		BCEERM
C[C@@H](S)C(=O)N1CSC[C@H]1C(=O)[O-]	ZINC000027871924	176006373	/nfs/dbraw/zinc/00/63/73/176006373.db2.gz	LXQJJKNBGQICEQ-UHNVWZDZSA-N	-1	0	221.303	0.291	10	30		BCEERM
C[C@@H](SCC(=O)NCCC#N)C(=O)[O-]	ZINC000019511341	176007427	/nfs/dbraw/zinc/00/74/27/176007427.db2.gz	NIJMBEURBAPDGH-ZCFIWIBFSA-N	-1	0	216.262	0.223	10	30		BCEERM
C[C@H](S)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000006858542	177024907	/nfs/dbraw/zinc/02/49/07/177024907.db2.gz	SRIPWKGWOAOUEH-NTSWFWBYSA-N	-1	0	203.263	0.380	10	30		BCEERM
Cc1nc(=O)[nH]c(S[C@H](C)C#N)c1C(=O)[O-]	ZINC000043513286	177505264	/nfs/dbraw/zinc/50/52/64/177505264.db2.gz	ALZQRINICGNOIC-SCSAIBSYSA-N	-1	0	239.256	0.781	10	30		BCEERM
C=CCCNC(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000168910476	487551934	/nfs/dbraw/zinc/55/19/34/487551934.db2.gz	QDBBASJDCLUHNG-QMMMGPOBSA-N	-1	0	214.265	0.925	10	30		BCEERM
C=CCCn1nnc(C(=O)[O-])c1-c1ccnn1C	ZINC000725256998	538061367	/nfs/dbraw/zinc/06/13/67/538061367.db2.gz	FHRBAAPOPWEAER-UHFFFAOYSA-N	-1	0	247.258	0.953	10	30		BCEERM
C#CCN(c1nccc(C(=O)[O-])n1)C1CC1	ZINC000757180319	582553553	/nfs/dbraw/zinc/55/35/53/582553553.db2.gz	FHPPECFGNTZXMR-UHFFFAOYSA-N	-1	0	217.228	0.777	10	30		BCEERM
CC(C)(C#N)CC(=O)N1CCC[C@@H]1c1nnn[n-]1	ZINC000900391629	584301273	/nfs/dbraw/zinc/30/12/73/584301273.db2.gz	DTVIEZYNJBVCSE-MRVPVSSYSA-N	-1	0	248.290	0.803	10	30		BCEERM
C#C[C@@H](C)Nc1nc(C)ncc1C(=O)[O-]	ZINC000300896400	585702870	/nfs/dbraw/zinc/70/28/70/585702870.db2.gz	NBAUBCNBEBCSFS-ZCFIWIBFSA-N	-1	0	205.217	0.917	10	30		BCEERM
COc1c(C#CC(=O)[O-])cccc1C=O	ZINC000757566158	586305896	/nfs/dbraw/zinc/30/58/96/586305896.db2.gz	DZPKCFYHYJYDJM-UHFFFAOYSA-N	-1	0	204.181	0.944	10	30		BCEERM
C#C[C@H]1CCCN1c1ncncc1C(=O)[O-]	ZINC000757175775	586433100	/nfs/dbraw/zinc/43/31/00/586433100.db2.gz	JPCRERGFNYMOCO-QMMMGPOBSA-N	-1	0	217.228	0.777	10	30		BCEERM
C#C[C@H]1CCCN1c1nccc(C(=O)[O-])n1	ZINC000757176759	586433444	/nfs/dbraw/zinc/43/34/44/586433444.db2.gz	AZAUOOLSONWEMW-QMMMGPOBSA-N	-1	0	217.228	0.777	10	30		BCEERM
COc1cc(C#CC(=O)[O-])c(C=O)cc1O	ZINC000757568988	586461888	/nfs/dbraw/zinc/46/18/88/586461888.db2.gz	RPUGWQZETFXJPL-UHFFFAOYSA-N	-1	0	220.180	0.649	10	30		BCEERM
COc1ccc(C=O)c(C#CC(=O)[O-])c1	ZINC000757568982	586462042	/nfs/dbraw/zinc/46/20/42/586462042.db2.gz	RPNOIZQXEKMQAS-UHFFFAOYSA-N	-1	0	204.181	0.944	10	30		BCEERM
COc1ccc(C=O)cc1C#CC(=O)[O-]	ZINC000757569062	586462398	/nfs/dbraw/zinc/46/23/98/586462398.db2.gz	SIEJKQNAHWOAKV-UHFFFAOYSA-N	-1	0	204.181	0.944	10	30		BCEERM
C#CCN(C)c1nc(C)ncc1C(=O)[O-]	ZINC000300840527	592522135	/nfs/dbraw/zinc/52/21/35/592522135.db2.gz	GOUPBKIHYFZIIG-UHFFFAOYSA-N	-1	0	205.217	0.553	10	30		BCEERM
Cc1nc(C#N)cc(N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1	ZINC000308358316	631299034	/nfs/dbraw/zinc/29/90/34/631299034.db2.gz	LJPMCDXUWNUXPG-GMSGAONNSA-N	-1	0	246.270	0.814	10	30		BCEERM
COc1cccc(CN=Nc2nnn[n-]2)c1O	ZINC000250390672	635698272	/nfs/dbraw/zinc/69/82/72/635698272.db2.gz	CPUMUPXXOVLWTJ-UHFFFAOYSA-N	-1	0	234.219	0.360	10	30		BCEERM
C#CC[C@@H](C)Nc1ccc(C(=O)[O-])nn1	ZINC000228976973	640908722	/nfs/dbraw/zinc/90/87/22/640908722.db2.gz	MYWCLXPRAYRSHV-SSDOTTSWSA-N	-1	0	205.217	0.999	10	30		BCEERM
C[C@H](CC#N)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1	ZINC000230117208	641028816	/nfs/dbraw/zinc/02/88/16/641028816.db2.gz	QHEVRDYBGBKRNE-HRDYMLBCSA-N	-1	0	240.259	0.379	10	30		BCEERM
C[C@@H](CC#N)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1	ZINC000230117204	641029308	/nfs/dbraw/zinc/02/93/08/641029308.db2.gz	QHEVRDYBGBKRNE-XHNCKOQMSA-N	-1	0	240.259	0.379	10	30		BCEERM
C=CCN(CC(=O)[O-])C(=O)c1cnc(C)cn1	ZINC000092463198	644658964	/nfs/dbraw/zinc/65/89/64/644658964.db2.gz	ICCPZZCTPSGROZ-UHFFFAOYSA-N	-1	0	235.243	0.498	10	30		BCEERM
C=CCN(C)S(=O)(=O)[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000300028449	804061615	/nfs/dbraw/zinc/06/16/15/804061615.db2.gz	NCLOTCITFBVZPO-BDAKNGLRSA-N	-1	0	247.316	0.687	10	30		BCEERM
CCN(CCC#N)CC(F)(F)C(=O)[O-]	ZINC000685957844	538905473	/nfs/dbraw/zinc/90/54/73/538905473.db2.gz	IOMIKTWTDDKIKJ-UHFFFAOYSA-N	-1	0	206.192	0.942	10	30		BCEERM
CC(=O)N[C@@H](CSCCC#N)C(=O)[O-]	ZINC000005167327	342759262	/nfs/dbraw/zinc/75/92/62/342759262.db2.gz	VDKVYEUEJCNDHM-ZETCQYMHSA-N	-1	0	216.262	0.223	10	30		BCEERM
Cc1nc2c(C#N)cnn2cc1C(=O)[O-]	ZINC000229924950	342855688	/nfs/dbraw/zinc/85/56/88/342855688.db2.gz	QGLWGUFDGCQFAC-UHFFFAOYSA-N	-1	0	202.173	0.608	10	30		BCEERM
CC#CCCn1cc(C(=O)[O-])ccc1=O	ZINC000165144736	342877606	/nfs/dbraw/zinc/87/76/06/342877606.db2.gz	DSYXVTISTPDXMF-UHFFFAOYSA-N	-1	0	205.213	0.960	10	30		BCEERM
C#CCNC(=O)N[C@@]1(C(=O)[O-])CCCC[C@@H]1C	ZINC000019430155	166178756	/nfs/dbraw/zinc/17/87/56/166178756.db2.gz	COMZJHJTFUCBGT-CABZTGNLSA-N	-1	0	238.287	0.952	10	30		BCEERM
O=C([O-])COCCOCCOCCS	ZINC000090745376	259341785	/nfs/dbraw/zinc/34/17/85/259341785.db2.gz	OQVCAAVSSRTKKR-UHFFFAOYSA-N	-1	0	224.278	0.051	10	30		BCEERM
C#CCN[C@H](C(=O)[O-])c1cccc(O)c1	ZINC000051963269	166192465	/nfs/dbraw/zinc/19/24/65/166192465.db2.gz	KHFSBKVCAVFHHN-JTQLQIEISA-N	-1	0	205.213	0.741	10	30		BCEERM
C#C[C@H](C)Nc1nc[n-]c(=O)c1Br	ZINC000165976268	344264298	/nfs/dbraw/zinc/26/42/98/344264298.db2.gz	JGEOJKAKVAQJPN-YFKPBYRVSA-N	-1	0	242.076	0.966	10	30		BCEERM
N#C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ncc[n-]1	ZINC000381062617	344475444	/nfs/dbraw/zinc/47/54/44/344475444.db2.gz	LRPYBNSVVXRVLP-JGVFFNPUSA-N	-1	0	240.288	0.380	10	30		BCEERM
N#Cc1ccc(C(=O)[O-])c(C=O)c1[N+](=O)[O-]	ZINC000396164515	344635443	/nfs/dbraw/zinc/63/54/43/344635443.db2.gz	UDIHLVHQQGYKAM-UHFFFAOYSA-N	-1	0	220.140	0.977	10	30		BCEERM
C[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ncn1	ZINC000235403033	344903681	/nfs/dbraw/zinc/90/36/81/344903681.db2.gz	RPPDLBDWDTUPMP-RXMQYKEDSA-N	-1	0	246.679	0.784	10	30		BCEERM
C#C[C@H](C)NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])C1	ZINC000235512417	344929156	/nfs/dbraw/zinc/92/91/56/344929156.db2.gz	BFJTVTIZMFJALS-DJLDLDEBSA-N	-1	0	209.245	0.625	10	30		BCEERM
C#C[C@@](C)(NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000034268230	166214104	/nfs/dbraw/zinc/21/41/04/166214104.db2.gz	SYWWVGBCSHMZNN-SNVBAGLBSA-N	-1	0	213.233	0.988	10	30		BCEERM
O=S(=O)([O-])CC/N=C/c1ccccc1O	ZINC000031501234	345551287	/nfs/dbraw/zinc/55/12/87/345551287.db2.gz	NRMJWVBMZKPSSH-JXMROGBWSA-N	-1	0	229.257	0.699	10	30		BCEERM
C#CCC(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000236456232	346241767	/nfs/dbraw/zinc/24/17/67/346241767.db2.gz	ZZFGFTCFUNTGCP-DTWKUNHWSA-N	-1	0	209.245	0.769	10	30		BCEERM
N#Cc1cccc([C@H](O)S(=O)(=O)[O-])c1	ZINC000236522626	346246144	/nfs/dbraw/zinc/24/61/44/346246144.db2.gz	PHMLKURIRYOPIH-MRVPVSSYSA-N	-1	0	213.214	0.437	10	30		BCEERM
CS(=O)(=O)O[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000148055190	346501465	/nfs/dbraw/zinc/50/14/65/346501465.db2.gz	MNGSJENYNYMNDX-RQJHMYQMSA-N	-1	0	222.262	0.606	10	30		BCEERM
C[C@H](CC(=O)[O-])n1cnc(C#N)c1C#N	ZINC000164668002	346615499	/nfs/dbraw/zinc/61/54/99/346615499.db2.gz	CYOQZMQTQCPIHF-ZCFIWIBFSA-N	-1	0	204.189	0.662	10	30		BCEERM
C[C@@H](C#N)N1CCSC[C@H]1C(=O)[O-]	ZINC000251019695	362833862	/nfs/dbraw/zinc/83/38/62/362833862.db2.gz	CQTNWVGHYFZUFM-BQBZGAKWSA-N	-1	0	200.263	0.400	10	30		BCEERM
N#CC1=C([O-])NC(=S)NC12CCCCC2	ZINC000196307199	347868166	/nfs/dbraw/zinc/86/81/66/347868166.db2.gz	WABRUFLYYQRPGR-ZETCQYMHSA-N	-1	0	223.301	0.833	10	30		BCEERM
C=C(Cl)Cn1cc(N)c(C(=O)[O-])n1	ZINC000710566370	538093313	/nfs/dbraw/zinc/09/33/13/538093313.db2.gz	MTRYLCHEIDFZJL-UHFFFAOYSA-N	-1	0	201.613	0.916	10	30		BCEERM
C[C@H]1CC[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)O1	ZINC000159622462	350955754	/nfs/dbraw/zinc/95/57/54/350955754.db2.gz	DJUIXGWGOCGZIO-RCOVLWMOSA-N	-1	0	245.242	0.659	10	30		BCEERM
C#C[C@H](C)Nc1nc(C)cc(C(=O)[O-])n1	ZINC000231954797	351481268	/nfs/dbraw/zinc/48/12/68/351481268.db2.gz	PQKOUWOHURRDHR-LURJTMIESA-N	-1	0	205.217	0.917	10	30		BCEERM
CC[C@@H](NC(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000606301969	351552752	/nfs/dbraw/zinc/55/27/52/351552752.db2.gz	QFOCJYNPFGCDQX-SSDOTTSWSA-N	-1	0	222.200	0.744	10	30		BCEERM
CC(C)[C@H](NC(=O)[C@H](C)S)C(=O)[O-]	ZINC000065743189	187836326	/nfs/dbraw/zinc/83/63/26/187836326.db2.gz	LPQVCURJKWLHLV-WDSKDSINSA-N	-1	0	205.279	0.530	10	30	in-vitro	BCEERM
CC#CC(=O)NC[C@@H]1CCC[C@H]1C(=O)[O-]	ZINC000232618032	353144892	/nfs/dbraw/zinc/14/48/92/353144892.db2.gz	NPOZEDCQPUPHGM-DTWKUNHWSA-N	-1	0	209.245	0.627	10	30		BCEERM
N#Cc1cc([N+](=O)[O-])cc(CC(=O)[O-])n1	ZINC000095767129	188146371	/nfs/dbraw/zinc/14/63/71/188146371.db2.gz	RJIRCBIOSHLDDY-UHFFFAOYSA-N	-1	0	207.145	0.489	10	30		BCEERM
C=CCNC(=O)[C@H](C)N(CC)CC(=O)[O-]	ZINC000038018094	166387262	/nfs/dbraw/zinc/38/72/62/166387262.db2.gz	WLAHQPSRZBBTCA-QMMMGPOBSA-N	-1	0	214.265	0.084	10	30		BCEERM
N#CCN(CC#N)C(=O)CCCC(=O)[O-]	ZINC000026513830	181039836	/nfs/dbraw/zinc/03/98/36/181039836.db2.gz	NPUXXLJXQZJQBY-UHFFFAOYSA-N	-1	0	209.205	0.117	10	30		BCEERM
N#CCCNC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000037494365	181038296	/nfs/dbraw/zinc/03/82/96/181038296.db2.gz	ANKAONXKVJIVKX-DTWKUNHWSA-N	-1	0	222.244	0.683	10	30		BCEERM
N#C[C@@H]1CCC[C@H]1NC(=O)CCC(=O)[O-]	ZINC000061889914	181059676	/nfs/dbraw/zinc/05/96/76/181059676.db2.gz	HGAMUJOTJYINJD-JGVFFNPUSA-N	-1	0	210.233	0.660	10	30		BCEERM
N#Cc1ccc(C[S@@](=O)CC(=O)[O-])cc1	ZINC000037921627	181110624	/nfs/dbraw/zinc/11/06/24/181110624.db2.gz	XDDKSCSUNNLVHL-HNNXBMFYSA-N	-1	0	223.253	0.892	10	30		BCEERM
C=CCNC(=O)[C@H](CC(=O)[O-])c1ccccn1	ZINC000076615814	166390971	/nfs/dbraw/zinc/39/09/71/166390971.db2.gz	ZDBGRISFZYGKNF-SECBINFHSA-N	-1	0	234.255	0.942	10	30		BCEERM
N#Cc1ccc([N-]S(=O)(=O)c2cn[nH]c2)nc1	ZINC000051953555	181124215	/nfs/dbraw/zinc/12/42/15/181124215.db2.gz	FLHMRKYTUCUBMS-UHFFFAOYSA-N	-1	0	249.255	0.477	10	30		BCEERM
N#Cc1cccc(NC(=O)CC(=O)[O-])c1	ZINC000050914058	181140025	/nfs/dbraw/zinc/14/00/25/181140025.db2.gz	CVHWASNRZYVRFD-UHFFFAOYSA-N	-1	0	204.185	0.971	10	30		BCEERM
N#Cc1ccsc1[N-]C(=O)c1nonc1N	ZINC000054432220	181161900	/nfs/dbraw/zinc/16/19/00/181161900.db2.gz	RSDLTWYOYSUWCQ-UHFFFAOYSA-N	-1	0	235.228	0.837	10	30		BCEERM
N#Cc1cn(-c2ccccc2F)c(=O)[n-]c1=O	ZINC000039370123	181161668	/nfs/dbraw/zinc/16/16/68/181161668.db2.gz	UMCKHLXRAFRCEJ-UHFFFAOYSA-N	-1	0	231.186	0.949	10	30		BCEERM
N#Cc1ncn(-c2cc(C(=O)[O-])ccn2)n1	ZINC000061191722	181174819	/nfs/dbraw/zinc/17/48/19/181174819.db2.gz	BTTSHBHEHZYSQU-UHFFFAOYSA-N	-1	0	215.172	0.232	10	30		BCEERM
C=CCN1C(=O)[C@H](CC(=O)[O-])SC1=S	ZINC000584609134	358269826	/nfs/dbraw/zinc/26/98/26/358269826.db2.gz	SSJWCFPSSQQQKE-YFKPBYRVSA-N	-1	0	231.298	0.876	10	30		BCEERM
COCCOc1cnc(/C(Cl)=N/[O-])cn1	ZINC000584628500	358297885	/nfs/dbraw/zinc/29/78/85/358297885.db2.gz	MBOLADSBJLEIHM-WQLSENKSSA-N	-1	0	231.639	0.876	10	30		BCEERM
C#CC(C)(C)NC(=O)N1CC[C@@H]1C(=O)[O-]	ZINC000306515355	360341451	/nfs/dbraw/zinc/34/14/51/360341451.db2.gz	DAPGMFQBYIPCTR-SSDOTTSWSA-N	-1	0	210.233	0.267	10	30		BCEERM
C#CCC(=O)Nc1nc(C(=O)[O-])cs1	ZINC000306588455	360492580	/nfs/dbraw/zinc/49/25/80/360492580.db2.gz	VNTLJHBJXBXYID-UHFFFAOYSA-N	-1	0	210.214	0.803	10	30		BCEERM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccnc(Cl)n1	ZINC000161798905	371565578	/nfs/dbraw/zinc/56/55/78/371565578.db2.gz	XQSLBJXGUZHDDA-YFKPBYRVSA-N	-1	0	246.679	0.784	10	30		BCEERM
O=C([O-])[C@H](CS)NC(=O)Cc1ccccc1	ZINC000028972397	182044125	/nfs/dbraw/zinc/04/41/25/182044125.db2.gz	MDBITHZZHAXREB-VIFPVBQESA-N	-1	0	239.296	0.728	10	30		BCEERM
CC(=O)[N-]S(=O)(=O)c1cnc(Cl)nc1	ZINC000040691570	373603307	/nfs/dbraw/zinc/60/33/07/373603307.db2.gz	JSIXZSCMSQSKEF-UHFFFAOYSA-N	-1	0	235.652	0.795	10	30		BCEERM
C[C@H](CC(=O)[O-])Nc1cnc(C#N)cn1	ZINC000070581071	374147773	/nfs/dbraw/zinc/14/77/73/374147773.db2.gz	KMXULNIGDDLJRJ-ZCFIWIBFSA-N	-1	0	206.205	0.623	10	30		BCEERM
O=C([O-])[C@H](CS)NC(=O)c1ccccc1	ZINC000013430897	182287131	/nfs/dbraw/zinc/28/71/31/182287131.db2.gz	LJWSDBHOEIBWJY-QMMMGPOBSA-N	-1	0	225.269	0.799	10	30		BCEERM
CNS(=O)(=O)[N-]C(=O)OC(C)(C)C	ZINC000039093618	384101530	/nfs/dbraw/zinc/10/15/30/384101530.db2.gz	JXNWFOWDUMUVHZ-UHFFFAOYSA-N	-1	0	210.255	0.180	10	30		BCEERM
Cc1ccc(C#N)c(=O)n1CCC(=O)[O-]	ZINC000041605175	384194508	/nfs/dbraw/zinc/19/45/08/384194508.db2.gz	ZKNJMHVGJUYWTB-UHFFFAOYSA-N	-1	0	206.201	0.503	10	30		BCEERM
N#Cc1cc([N+](=O)[O-])cc(CC(=O)[O-])c1C=O	ZINC000575391204	386958019	/nfs/dbraw/zinc/95/80/19/386958019.db2.gz	OWJJEYDSXPGTHM-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
N#Cc1cc(CC(=O)[O-])cc(CO)c1[N+](=O)[O-]	ZINC000575391094	386960010	/nfs/dbraw/zinc/96/00/10/386960010.db2.gz	CYBQANMRYLSHBN-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
N#Cc1c(CC(=O)[O-])cc(C=O)cc1[N+](=O)[O-]	ZINC000575391591	386961613	/nfs/dbraw/zinc/96/16/13/386961613.db2.gz	WSLPIFMNIICYJF-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
COC(=O)Cc1cc([N+](=O)[O-])cc(C#N)c1[O-]	ZINC000575391193	386962672	/nfs/dbraw/zinc/96/26/72/386962672.db2.gz	ATNNODMLGRRMIN-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
C[C@@H](CC(=O)[O-])Nc1nccnc1C#N	ZINC000054376596	388593874	/nfs/dbraw/zinc/59/38/74/388593874.db2.gz	QVOSCOXSGPPJOF-LURJTMIESA-N	-1	0	206.205	0.623	10	30		BCEERM
C=CCC[C@H](NC(=O)c1cnsn1)C(=O)[O-]	ZINC000262960657	135325140	/nfs/dbraw/zinc/32/51/40/135325140.db2.gz	RPPIZEXKXZTKQU-LURJTMIESA-N	-1	0	241.272	0.687	10	30		BCEERM
C=CCCO[C@@H](C)C(=O)NC1(C(=O)[O-])CC1	ZINC000133820064	135501568	/nfs/dbraw/zinc/50/15/68/135501568.db2.gz	YUHBTAPCSSLWJC-QMMMGPOBSA-N	-1	0	227.260	0.701	10	30		BCEERM
C#CCNC(=O)N[C@@](C)(C(=O)[O-])c1ccco1	ZINC000019483510	166179829	/nfs/dbraw/zinc/17/98/29/166179829.db2.gz	FOEAQUPGZCLRDS-LLVKDONJSA-N	-1	0	236.227	0.512	10	30		BCEERM
C#CCNC(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000019439444	166180739	/nfs/dbraw/zinc/18/07/39/166180739.db2.gz	YQGWRIRQJPFJEC-MRVPVSSYSA-N	-1	0	212.249	0.418	10	30		BCEERM
C=CCNC(=O)COc1cncc(C(=O)[O-])c1	ZINC000082293298	166372790	/nfs/dbraw/zinc/37/27/90/166372790.db2.gz	UYASGJQIOCTPAZ-UHFFFAOYSA-N	-1	0	236.227	0.461	10	30		BCEERM
C=CCNC(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000015999087	166377834	/nfs/dbraw/zinc/37/78/34/166377834.db2.gz	KMURLFZNLYEABQ-SSDOTTSWSA-N	-1	0	200.238	0.581	10	30		BCEERM
C=CCNC(=O)c1cn(C)nc1C(=O)[O-]	ZINC000020319392	166395044	/nfs/dbraw/zinc/39/50/44/166395044.db2.gz	VVLJZDTTYWPVPU-UHFFFAOYSA-N	-1	0	209.205	0.034	10	30		BCEERM
CC1(C)[C@H]2CC[C@]1(C(=O)[O-])C(=O)/C2=N\O	ZINC000026441517	168010198	/nfs/dbraw/zinc/01/01/98/168010198.db2.gz	IFHLHUGNJRJLCS-IHKCMDJESA-N	-1	0	211.217	0.907	10	30		BCEERM
CCOC(=O)C1=C(O)C(=O)C(=C(O)OCC)O1	ZINC000100877943	170179272	/nfs/dbraw/zinc/17/92/72/170179272.db2.gz	YCNONGXDPIGWCP-XOHWUJONSA-N	-1	0	244.199	0.682	10	30		BCEERM
CCOC(=O)/C(=N/[O-])C(=O)C(F)(F)F	ZINC000100206551	170180439	/nfs/dbraw/zinc/18/04/39/170180439.db2.gz	ZQBIGESTMJGOAX-XCVCLJGOSA-N	-1	0	213.111	0.511	10	30		BCEERM
CO[C@@H]1C[C@H](C(=O)[O-])N(c2ccc(C#N)cn2)C1	ZINC000019429477	174775707	/nfs/dbraw/zinc/77/57/07/174775707.db2.gz	BLLBKQXEWBOZGD-NXEZZACHSA-N	-1	0	247.254	0.632	10	30		BCEERM
COc1ccc(C(=O)/C=C2\NC(=O)[N-]C2=O)cc1	ZINC000100338376	175052778	/nfs/dbraw/zinc/05/27/78/175052778.db2.gz	RLVAGVSPCRHABQ-TWGQIWQCSA-N	-1	0	246.222	0.601	10	30		BCEERM
C[C@@H](C#N)CN(C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000042461632	176797721	/nfs/dbraw/zinc/79/77/21/176797721.db2.gz	KMYUBQCPYUPIBA-BQBZGAKWSA-N	-1	0	213.237	0.261	10	30		BCEERM
C=CCCNC(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000168910564	487551808	/nfs/dbraw/zinc/55/18/08/487551808.db2.gz	QDBBASJDCLUHNG-MRVPVSSYSA-N	-1	0	214.265	0.925	10	30		BCEERM
C#CCN(c1ncncc1C(=O)[O-])C1CC1	ZINC000757175615	582552227	/nfs/dbraw/zinc/55/22/27/582552227.db2.gz	BZDRUTFBXLARJI-UHFFFAOYSA-N	-1	0	217.228	0.777	10	30		BCEERM
C=CC[C@@H](NS(=O)(=O)CC(C)C)C(=O)[O-]	ZINC000127533485	534320352	/nfs/dbraw/zinc/32/03/52/534320352.db2.gz	FOOLLNLNCKBGGN-MRVPVSSYSA-N	-1	0	235.305	0.591	10	30		BCEERM
Cc1ccc(C)c(S(=O)([O-])=NC(N)=O)c1	ZINC000026481419	524184055	/nfs/dbraw/zinc/18/40/55/524184055.db2.gz	CKJASEMLRLVVHV-UHFFFAOYSA-N	-1	0	228.273	0.865	10	30		BCEERM
C=CCC[C@@H](NC(=O)c1cnccn1)C(=O)[O-]	ZINC000263009224	534794155	/nfs/dbraw/zinc/79/41/55/534794155.db2.gz	XBFGVHOJTNBUDR-MRVPVSSYSA-N	-1	0	235.243	0.626	10	30		BCEERM
Cc1ccc(S(=O)([O-])=NC(N)=O)c(C)c1	ZINC000026481390	525480936	/nfs/dbraw/zinc/48/09/36/525480936.db2.gz	XHAGDQDMCYGRTH-UHFFFAOYSA-N	-1	0	228.273	0.865	10	30		BCEERM
N#CC[S@](=O)c1ccc(CC(=O)[O-])cc1	ZINC000082990817	526481732	/nfs/dbraw/zinc/48/17/32/526481732.db2.gz	HHROXIHACZHBKT-OAHLLOKOSA-N	-1	0	223.253	0.945	10	30		BCEERM
CC(=O)N[C@H](CSCCC#N)C(=O)[O-]	ZINC000022047214	526892831	/nfs/dbraw/zinc/89/28/31/526892831.db2.gz	VDKVYEUEJCNDHM-SSDOTTSWSA-N	-1	0	216.262	0.223	10	30	in-vitro	BCEERM
C#C[C@H]1CCCN1c1cnc(C(=O)[O-])cn1	ZINC000757180337	582553863	/nfs/dbraw/zinc/55/38/63/582553863.db2.gz	ISUCGEKRMKWTLR-QMMMGPOBSA-N	-1	0	217.228	0.777	10	30		BCEERM
CCOC(=O)/C(=N/[O-])c1ncnn1CC	ZINC000757067267	586423916	/nfs/dbraw/zinc/42/39/16/586423916.db2.gz	DWIBAQDPCGSAQT-IZZDOVSWSA-N	-1	0	212.209	0.039	10	30		BCEERM
Cc1cc(NCC#CCO)nc(C(=O)[O-])c1	ZINC000757176031	586433038	/nfs/dbraw/zinc/43/30/38/586433038.db2.gz	VAZFAOVVCFEHLU-UHFFFAOYSA-N	-1	0	220.228	0.496	10	30		BCEERM
C#C[C@H]1CCCN1c1cc(C(=O)[O-])ncn1	ZINC000757177024	586433580	/nfs/dbraw/zinc/43/35/80/586433580.db2.gz	HNADRYGTJOCXBO-QMMMGPOBSA-N	-1	0	217.228	0.777	10	30		BCEERM
O=C([O-])c1nc(NCC#CCO)ncc1Cl	ZINC000757177085	586433738	/nfs/dbraw/zinc/43/37/38/586433738.db2.gz	ISPLQZMYFOUYRY-UHFFFAOYSA-N	-1	0	241.634	0.236	10	30		BCEERM
COc1ccc(C#CC(=O)[O-])c(C=O)c1	ZINC000757565880	586461713	/nfs/dbraw/zinc/46/17/13/586461713.db2.gz	CEPZFSSIUXULIE-UHFFFAOYSA-N	-1	0	204.181	0.944	10	30		BCEERM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1OCC[C@H]1C	ZINC000122691246	589618829	/nfs/dbraw/zinc/61/88/29/589618829.db2.gz	DHWTXJHRJOHQTP-PSASIEDQSA-N	-1	0	227.260	0.511	10	30		BCEERM
C#CCN(CC)c1ccc(C(=O)[O-])nn1	ZINC000130206610	591448334	/nfs/dbraw/zinc/44/83/34/591448334.db2.gz	DZJUDCGKACNNTQ-UHFFFAOYSA-N	-1	0	205.217	0.634	10	30		BCEERM
C#C[C@H](C)Nc1nc(C)ncc1C(=O)[O-]	ZINC000300896397	592524595	/nfs/dbraw/zinc/52/45/95/592524595.db2.gz	NBAUBCNBEBCSFS-LURJTMIESA-N	-1	0	205.217	0.917	10	30		BCEERM
C#CC[C@H](NC(=O)[C@H]1OCC[C@@H]1C)C(=O)[O-]	ZINC000127386059	636028987	/nfs/dbraw/zinc/02/89/87/636028987.db2.gz	IEXSPUFHOVDWCR-CIUDSAMLSA-N	-1	0	225.244	0.004	10	30		BCEERM
C#CC(C)(C)Nc1cncc(C(=O)[O-])n1	ZINC000085694567	636879913	/nfs/dbraw/zinc/87/99/13/636879913.db2.gz	KUXVVHWWVREKNG-UHFFFAOYSA-N	-1	0	205.217	0.999	10	30		BCEERM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CCO[C@H]1C	ZINC000156629807	640476493	/nfs/dbraw/zinc/47/64/93/640476493.db2.gz	OFGGKKPLUJZQOF-DTWKUNHWSA-N	-1	0	242.275	0.446	10	30		BCEERM
C=CCS(=O)(=O)[N-]c1nncs1	ZINC000223420333	640562019	/nfs/dbraw/zinc/56/20/19/640562019.db2.gz	RWKRRFLOEOYBJK-UHFFFAOYSA-N	-1	0	205.264	0.466	10	30		BCEERM
C#C[C@H](CCC)NC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC000229868321	640988224	/nfs/dbraw/zinc/98/82/24/640988224.db2.gz	HSABTRSQFDUWLR-VGMNWLOBSA-N	-1	0	209.245	0.625	10	30		BCEERM
C#CCSCCNc1cnc(C(=O)[O-])cn1	ZINC000231952159	641219699	/nfs/dbraw/zinc/21/96/99/641219699.db2.gz	OEXMGWXWMVJPJW-UHFFFAOYSA-N	-1	0	237.284	0.953	10	30		BCEERM
C#CCN(CC)c1nc(C)cc(C(=O)[O-])n1	ZINC000231953553	641220562	/nfs/dbraw/zinc/22/05/62/641220562.db2.gz	ALGQHQZPNKLTML-UHFFFAOYSA-N	-1	0	219.244	0.943	10	30		BCEERM
C#CCSCCNc1nccnc1C(=O)[O-]	ZINC000231971021	641226570	/nfs/dbraw/zinc/22/65/70/641226570.db2.gz	JXDMMBSRPXRDAB-UHFFFAOYSA-N	-1	0	237.284	0.953	10	30		BCEERM
C#C[C@H](NC(=O)N(C)CC(=O)[O-])C(C)C	ZINC000300997436	645899271	/nfs/dbraw/zinc/89/92/71/645899271.db2.gz	WOBHQEFRHZZDPH-QMMMGPOBSA-N	-1	0	212.249	0.370	10	30		BCEERM
C#CC[C@H](C)Nc1nccnc1C(=O)[O-]	ZINC000229025992	711645589	/nfs/dbraw/zinc/64/55/89/711645589.db2.gz	ACVWUCTXZXMTPS-ZETCQYMHSA-N	-1	0	205.217	0.999	10	30		BCEERM
C=CCN(C)S(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC000234273678	804059335	/nfs/dbraw/zinc/05/93/35/804059335.db2.gz	NCLOTCITFBVZPO-DTWKUNHWSA-N	-1	0	247.316	0.687	10	30		BCEERM
C#CCN(CC#C)CC(F)(F)C(=O)[O-]	ZINC000685957852	538905356	/nfs/dbraw/zinc/90/53/56/538905356.db2.gz	IWXHYLIEPVGJTL-UHFFFAOYSA-N	-1	0	201.172	0.275	10	30		BCEERM
C=CC[N@@H+](C)[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC000649452525	398254753	/nfs/dbraw/zinc/25/47/53/398254753.db2.gz	CAVRLUPOLCQVNU-SNVBAGLBSA-N	-1	0	240.303	0.570	10	30		BCEERM
C#Cc1cccc(NC[C@@H](O)C(=O)[O-])c1	ZINC000306670423	362033511	/nfs/dbraw/zinc/03/35/11/362033511.db2.gz	LVXYENZPINDGBR-SNVBAGLBSA-N	-1	0	205.213	0.525	10	30		BCEERM
CCc1nc2c(C#N)c[n-]n2c(=O)c1C	ZINC000229925210	537812508	/nfs/dbraw/zinc/81/25/08/537812508.db2.gz	CCAAGJHWPKULMJ-UHFFFAOYSA-N	-1	0	202.217	0.765	10	30		BCEERM
CC#CCNC(=O)c1cnc(C(=O)[O-])s1	ZINC000307179765	343911690	/nfs/dbraw/zinc/91/16/90/343911690.db2.gz	MSKJTMUKMGDXBA-UHFFFAOYSA-N	-1	0	224.241	0.594	10	30		BCEERM
C#C[C@H](C)Nc1cc(C(=O)[O-])nc(C)n1	ZINC000307469421	343938037	/nfs/dbraw/zinc/93/80/37/343938037.db2.gz	SZYPUZIJQIZTEZ-LURJTMIESA-N	-1	0	205.217	0.917	10	30		BCEERM
N#Cc1cc(F)c(CC(=O)[O-])c(CO)c1	ZINC000396141736	344615894	/nfs/dbraw/zinc/61/58/94/344615894.db2.gz	FXRIBJCZWOBKHQ-UHFFFAOYSA-N	-1	0	209.176	0.817	10	30		BCEERM
N#Cc1ccc(C(=O)[O-])c([N+](=O)[O-])c1CO	ZINC000396144019	344617421	/nfs/dbraw/zinc/61/74/21/344617421.db2.gz	NWNFSUCADLMMSI-UHFFFAOYSA-N	-1	0	222.156	0.657	10	30		BCEERM
N#Cc1cc(F)c(CC(=O)[O-])cc1CO	ZINC000396146752	344620151	/nfs/dbraw/zinc/62/01/51/344620151.db2.gz	WVUSCACMZYBZAD-UHFFFAOYSA-N	-1	0	209.176	0.817	10	30		BCEERM
N#Cc1c(F)cc(CO)cc1CC(=O)[O-]	ZINC000396146795	344620606	/nfs/dbraw/zinc/62/06/06/344620606.db2.gz	XJEKARHHTUSRKO-UHFFFAOYSA-N	-1	0	209.176	0.817	10	30		BCEERM
N#Cc1c(CO)cc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000396153814	344626147	/nfs/dbraw/zinc/62/61/47/344626147.db2.gz	OQWNEOAOEXIYPF-UHFFFAOYSA-N	-1	0	222.156	0.657	10	30		BCEERM
N#Cc1cc(O)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000396156023	344627504	/nfs/dbraw/zinc/62/75/04/344627504.db2.gz	HNJWVNMUFWOLKS-UHFFFAOYSA-N	-1	0	208.129	0.870	10	30		BCEERM
C#CC[C@H](C(=O)[O-])N1CCCCCC1=O	ZINC000127731060	344629755	/nfs/dbraw/zinc/62/97/55/344629755.db2.gz	QAVSJTUFUHATCY-SECBINFHSA-N	-1	0	209.245	0.866	10	30		BCEERM
C#C[C@@H](C)Oc1nc[n-]c(=O)c1Br	ZINC000235235695	344852667	/nfs/dbraw/zinc/85/26/67/344852667.db2.gz	PJQYBZAGICEKOT-RXMQYKEDSA-N	-1	0	243.060	0.933	10	30		BCEERM
C#CCNC(=O)N1CC[C@H](C)[C@@H]1C(=O)[O-]	ZINC000227024617	345245533	/nfs/dbraw/zinc/24/55/33/345245533.db2.gz	XPVKQMXAFANNAD-JGVFFNPUSA-N	-1	0	210.233	0.124	10	30		BCEERM
CS(=O)(=O)O[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000148055011	345220305	/nfs/dbraw/zinc/22/03/05/345220305.db2.gz	MNGSJENYNYMNDX-RNFRBKRXSA-N	-1	0	222.262	0.606	10	30		BCEERM
CCCCCC#C[C@H](O)[C@@H](O)C(=O)[O-]	ZINC000013484716	290753836	/nfs/dbraw/zinc/75/38/36/290753836.db2.gz	VSKXYKGCLVJSEW-DTWKUNHWSA-N	-1	0	200.234	0.377	10	30	endogenous,in-man	BCEERM
C[C@H](CC#N)N(C)CC(F)(F)C(=O)[O-]	ZINC000685957787	537943903	/nfs/dbraw/zinc/94/39/03/537943903.db2.gz	GAAZROIFCQEJPR-ZCFIWIBFSA-N	-1	0	206.192	0.940	10	30		BCEERM
C#CCC(=O)N[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000236447411	346241284	/nfs/dbraw/zinc/24/12/84/346241284.db2.gz	ZZFGFTCFUNTGCP-IUCAKERBSA-N	-1	0	209.245	0.769	10	30		BCEERM
C#CC(=O)N1CCC(CC)(C(=O)[O-])CC1	ZINC000062844652	347182172	/nfs/dbraw/zinc/18/21/72/347182172.db2.gz	HLOAMPDSSHQJME-UHFFFAOYSA-N	-1	0	209.245	0.723	10	30		BCEERM
N#Cc1ccc(NC[C@H](O)C(=O)[O-])cc1	ZINC000106886048	350861396	/nfs/dbraw/zinc/86/13/96/350861396.db2.gz	GSYFASJIDYBAAL-VIFPVBQESA-N	-1	0	206.201	0.416	10	30		BCEERM
COC1(C(=O)[O-])CCN([C@@H](C)C#N)CC1	ZINC000306723852	350891267	/nfs/dbraw/zinc/89/12/67/350891267.db2.gz	HONXHYBQWCBKND-QMMMGPOBSA-N	-1	0	212.249	0.464	10	30		BCEERM
C=C[C@@H]1C[C@]1(N)C(=O)[N-]S(=O)(=O)C1CC1	ZINC000091252830	187799633	/nfs/dbraw/zinc/79/96/33/187799633.db2.gz	VGHBWKACJXNKAF-HZGVNTEJSA-N	-1	0	230.289	0.339	10	30		BCEERM
CC#CC(=O)NC[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000232620043	353144178	/nfs/dbraw/zinc/14/41/78/353144178.db2.gz	NPOZEDCQPUPHGM-RKDXNWHRSA-N	-1	0	209.245	0.627	10	30		BCEERM
CC#CC(=O)NC[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC000232617880	353144733	/nfs/dbraw/zinc/14/47/33/353144733.db2.gz	NPOZEDCQPUPHGM-IUCAKERBSA-N	-1	0	209.245	0.627	10	30		BCEERM
CC#CC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000232634520	353150186	/nfs/dbraw/zinc/15/01/86/353150186.db2.gz	WKWFBWHDJULJMQ-BDAKNGLRSA-N	-1	0	209.245	0.769	10	30		BCEERM
CC(=O)c1cc(C#N)nc(CC(=O)[O-])c1	ZINC000095767138	188146275	/nfs/dbraw/zinc/14/62/75/188146275.db2.gz	ZBEIZJCBVIDNDN-UHFFFAOYSA-N	-1	0	204.185	0.783	10	30		BCEERM
C=CCNC(=O)Cn1nc(C)c(C(=O)[O-])c1C	ZINC000036778133	166375027	/nfs/dbraw/zinc/37/50/27/166375027.db2.gz	QPJWYJBPFKBWBA-UHFFFAOYSA-N	-1	0	237.259	0.500	10	30		BCEERM
C=CC[C@@H](NC(=O)N(C)CC)C(=O)[O-]	ZINC000127517302	353270542	/nfs/dbraw/zinc/27/05/42/353270542.db2.gz	UIUBKAMVSPBDKZ-SSDOTTSWSA-N	-1	0	200.238	0.677	10	30		BCEERM
N#C[C@H](C(=O)NCc1nnn[n-]1)c1ccccc1	ZINC000061615345	181062725	/nfs/dbraw/zinc/06/27/25/181062725.db2.gz	UQUMBSVHJUECPV-VIFPVBQESA-N	-1	0	242.242	0.123	10	30		BCEERM
N#C[C@H]1CCC[C@H]1NC(=O)CCC(=O)[O-]	ZINC000061889913	181069187	/nfs/dbraw/zinc/06/91/87/181069187.db2.gz	HGAMUJOTJYINJD-HTQZYQBOSA-N	-1	0	210.233	0.660	10	30		BCEERM
C#CCOC(=O)[C@@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)[O-]	ZINC000136491878	491059412	/nfs/dbraw/zinc/05/94/12/491059412.db2.gz	MVLXYYBXGPWHBX-UTINFBMNSA-N	-1	0	220.224	0.686	10	30		BCEERM
Cn1c(Cl)cnc1C[C@@H](S)C(=O)[O-]	ZINC000301027342	363340189	/nfs/dbraw/zinc/34/01/89/363340189.db2.gz	PXAHZEJEYJNGMZ-SCSAIBSYSA-N	-1	0	220.681	0.999	10	30		BCEERM
N#Cc1ccc(CNC(=O)CC(=O)[O-])cc1	ZINC000050913903	181106367	/nfs/dbraw/zinc/10/63/67/181106367.db2.gz	PUYHENHTAYKZFB-UHFFFAOYSA-N	-1	0	218.212	0.649	10	30		BCEERM
N#Cc1cccc(/C=C2\NC(=O)[N-]C2=O)c1	ZINC000040845693	181134431	/nfs/dbraw/zinc/13/44/31/181134431.db2.gz	GOMXOAZUUWYMST-UITAMQMPSA-N	-1	0	213.196	0.739	10	30		BCEERM
N#Cc1ccccc1N1C[C@H](C(=O)[O-])CC1=O	ZINC000008014818	181148166	/nfs/dbraw/zinc/14/81/66/181148166.db2.gz	GSPFSKPGBBIVTM-SECBINFHSA-N	-1	0	230.223	0.996	10	30		BCEERM
C=C[C@H](C(=O)[O-])n1cnc(C#N)c1C#N	ZINC000301052973	363393678	/nfs/dbraw/zinc/39/36/78/363393678.db2.gz	XFVRPZNTPVRMHC-SSDOTTSWSA-N	-1	0	202.173	0.438	10	30		BCEERM
N#Cc1nccnc1N[C@H](C(=O)[O-])C1CC1	ZINC000054505955	181174992	/nfs/dbraw/zinc/17/49/92/181174992.db2.gz	ZUIGJXNPLWIAOI-QMMMGPOBSA-N	-1	0	218.216	0.623	10	30		BCEERM
NC(=O)/N=C/c1c([O-])c2ccccc2[nH]c1=O	ZINC000100246500	181212898	/nfs/dbraw/zinc/21/28/98/181212898.db2.gz	GRMCFFUZRKASNE-WLRTZDKTSA-N	-1	0	231.211	0.731	10	30		BCEERM
C=C(C)[C@H](CO)SC[C@@H](NC(C)=O)C(=O)[O-]	ZINC000077270314	191869201	/nfs/dbraw/zinc/86/92/01/191869201.db2.gz	VKHVOPQHEPZBQW-BDAKNGLRSA-N	-1	0	247.316	0.246	10	30	in-vitro	BCEERM
N/N=C(/C=N/O)c1ccc([N+](=O)[O-])cc1	ZINC000584651642	358306470	/nfs/dbraw/zinc/30/64/70/358306470.db2.gz	CBRGWCIDTGQCMP-REZFLJOXSA-N	-1	0	208.177	0.718	10	30		BCEERM
N#Cc1cc(CO)c(CC(=O)[O-])cc1F	ZINC000396144633	359808314	/nfs/dbraw/zinc/80/83/14/359808314.db2.gz	PPHPIEMBXWUTLX-UHFFFAOYSA-N	-1	0	209.176	0.817	10	30		BCEERM
CC#CCn1c(=O)cc(O)cc1C(=O)[O-]	ZINC000300794540	360502830	/nfs/dbraw/zinc/50/28/30/360502830.db2.gz	CTHQADOKVNWJCX-UHFFFAOYSA-N	-1	0	207.185	0.275	10	30		BCEERM
N#CC1(C(=O)[O-])CCC2(CC1)OCCO2	ZINC000238679563	361176458	/nfs/dbraw/zinc/17/64/58/361176458.db2.gz	LSKACMRYDAUAHR-UHFFFAOYSA-N	-1	0	211.217	0.898	10	30		BCEERM
C[C@@H](C#N)N1CCSC[C@@H]1C(=O)[O-]	ZINC000126743339	371549151	/nfs/dbraw/zinc/54/91/51/371549151.db2.gz	CQTNWVGHYFZUFM-NKWVEPMBSA-N	-1	0	200.263	0.400	10	30		BCEERM
O=C(CO[C@H](CO)c1ccccc1)NO	ZINC000103233435	182000328	/nfs/dbraw/zinc/00/03/28/182000328.db2.gz	DVVLZKQMLDOWGP-SECBINFHSA-N	-1	0	211.217	0.242	10	30		BCEERM
C#CCCNc1c(C(=O)[O-])c(C)nn1C	ZINC000069791767	373767619	/nfs/dbraw/zinc/76/76/19/373767619.db2.gz	IJYUCCZMLUZFJJ-UHFFFAOYSA-N	-1	0	207.233	0.862	10	30		BCEERM
O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=O	ZINC000062722539	385046114	/nfs/dbraw/zinc/04/61/14/385046114.db2.gz	OEVNYZUEKNCGRA-UHFFFAOYSA-N	-1	0	238.220	0.712	10	30		BCEERM
N#CCS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000036893619	385589949	/nfs/dbraw/zinc/58/99/49/385589949.db2.gz	SAGXTKYKLIRMJQ-UHFFFAOYSA-N	-1	0	225.225	0.682	10	30		BCEERM
COC(=O)Cc1ccc([N+](=O)[O-])c(C#N)c1[O-]	ZINC000575391379	386958054	/nfs/dbraw/zinc/95/80/54/386958054.db2.gz	FAMQPYLJQNDPND-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
N#Cc1c(C=O)c(CC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000575391272	386958992	/nfs/dbraw/zinc/95/89/92/386958992.db2.gz	RWILAFWHQNHMJK-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
N#Cc1ccc(C=O)c([N+](=O)[O-])c1CC(=O)[O-]	ZINC000575390931	386960807	/nfs/dbraw/zinc/96/08/07/386960807.db2.gz	JZTFYUWNXFHRPB-UHFFFAOYSA-N	-1	0	234.167	0.906	10	30		BCEERM
N#Cc1c(CC(=O)[O-])cc(CO)cc1[N+](=O)[O-]	ZINC000575391167	386962506	/nfs/dbraw/zinc/96/25/06/386962506.db2.gz	PKGHDSKXIXHHGT-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
N#Cc1cc(CC(=O)[O-])c(CO)c([N+](=O)[O-])c1	ZINC000575391106	386962668	/nfs/dbraw/zinc/96/26/68/386962668.db2.gz	GNJALDMLOMEPNF-UHFFFAOYSA-N	-1	0	236.183	0.586	10	30		BCEERM
COC(=O)Cc1c(C#N)ccc([N+](=O)[O-])c1[O-]	ZINC000575391896	386963134	/nfs/dbraw/zinc/96/31/34/386963134.db2.gz	UJSFVCMSMFXEAU-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
COC(=O)Cc1c(C#N)c([O-])ccc1[N+](=O)[O-]	ZINC000575391787	386963971	/nfs/dbraw/zinc/96/39/71/386963971.db2.gz	PEGZCRWCLWIUPG-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
COC(=O)Cc1cc([O-])c([N+](=O)[O-])cc1C#N	ZINC000575391932	386964825	/nfs/dbraw/zinc/96/48/25/386964825.db2.gz	WDTQRJCYOQSECZ-UHFFFAOYSA-N	-1	0	236.183	0.888	10	30		BCEERM
C[C@H](C#N)N1CCS[C@@H](C(=O)[O-])C1	ZINC000575574773	386976277	/nfs/dbraw/zinc/97/62/77/386976277.db2.gz	ACWRKYVWUSSUEC-RNFRBKRXSA-N	-1	0	200.263	0.400	10	30		BCEERM
C#CC[C@@H](C)Nc1cnc(C(=O)[O-])cn1	ZINC000229026039	533206237	/nfs/dbraw/zinc/20/62/37/533206237.db2.gz	BEYAZTSXAOOALT-SSDOTTSWSA-N	-1	0	205.217	0.999	10	30		BCEERM
CC(C)[C@@H](NC(=O)[C@H](C)S)C(=O)[O-]	ZINC000096030370	256643220	/nfs/dbraw/zinc/64/32/20/256643220.db2.gz	LPQVCURJKWLHLV-NTSWFWBYSA-N	-1	0	205.279	0.530	10	30		BCEERM
O=S1(=O)CCCC1=C(O)C=CCl	ZINC000575468857	388841283	/nfs/dbraw/zinc/84/12/83/388841283.db2.gz	SHKDADGSVDLKQH-KGGZQZJCSA-N	-1	0	208.666	0.885	10	30		BCEERM
C#C[C@@H](O)OC(=O)c1ccccc1C(=O)[O-]	ZINC000016123552	533269628	/nfs/dbraw/zinc/26/96/28/533269628.db2.gz	WAUGKQWSQAUKPF-VIFPVBQESA-N	-1	0	220.180	0.493	10	30		BCEERM
C=CCCC(=O)N1C[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000054399629	133656476	/nfs/dbraw/zinc/65/64/76/133656476.db2.gz	FTNBHOVFAZTVHL-RKDXNWHRSA-N	-1	0	227.260	0.653	10	30		BCEERM
C=CCC[C@H](NC(=O)[C@H](C)COC)C(=O)[O-]	ZINC000262786219	135318030	/nfs/dbraw/zinc/31/80/30/135318030.db2.gz	BLTFMHAOXLDRBP-BDAKNGLRSA-N	-1	0	229.276	0.805	10	30		BCEERM
C=CC[C@H](CO)Nc1cnc(C(=O)[O-])cn1	ZINC000263353255	135348970	/nfs/dbraw/zinc/34/89/70/135348970.db2.gz	WFTFACOSBLHHDY-SSDOTTSWSA-N	-1	0	223.232	0.524	10	30		BCEERM
N#CCCS(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000263472012	135356319	/nfs/dbraw/zinc/35/63/19/135356319.db2.gz	ICGMWOSLHHDTFO-QMMMGPOBSA-N	-1	0	246.288	0.169	10	30		BCEERM
CN(CC(=O)[O-])S(=O)(=O)CCC(C)(C)C#N	ZINC000263545541	135359443	/nfs/dbraw/zinc/35/94/43/135359443.db2.gz	GPRGABUUURUOQX-UHFFFAOYSA-N	-1	0	248.304	0.272	10	30		BCEERM
C#CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC000037918700	166108617	/nfs/dbraw/zinc/10/86/17/166108617.db2.gz	VRKFOFZYQWEWQV-UHFFFAOYSA-N	-1	0	217.224	0.976	10	30		BCEERM
C#CCNC(=O)[C@H](C)Oc1cncc(C(=O)[O-])c1	ZINC000104424286	166184523	/nfs/dbraw/zinc/18/45/23/166184523.db2.gz	VKNRGERVAZJQAT-QMMMGPOBSA-N	-1	0	248.238	0.297	10	30		BCEERM
C#Cc1cccc(NS(=O)(=O)CC(=O)[O-])c1	ZINC000020245590	166223711	/nfs/dbraw/zinc/22/37/11/166223711.db2.gz	CTABZGBCBXZOPO-UHFFFAOYSA-N	-1	0	239.252	0.494	10	30		BCEERM
C=CCNC(=O)C[C@@H](C(=O)[O-])c1ccncc1	ZINC000076615847	166373147	/nfs/dbraw/zinc/37/31/47/166373147.db2.gz	CRBXBUJTTCJDED-SNVBAGLBSA-N	-1	0	234.255	0.942	10	30		BCEERM
C=CCNC(=O)N[C@](C)(CC)C(=O)[O-]	ZINC000019476847	166380154	/nfs/dbraw/zinc/38/01/54/166380154.db2.gz	JWINWPPIBGUJJL-SECBINFHSA-N	-1	0	200.238	0.725	10	30		BCEERM
C=CCNC(=O)[C@@H](CC(=O)[O-])c1ccncc1	ZINC000076615822	166384834	/nfs/dbraw/zinc/38/48/34/166384834.db2.gz	RKJQYQBSWXJWQX-JTQLQIEISA-N	-1	0	234.255	0.942	10	30		BCEERM
CCOC(=O)c1c(=O)n([O-])c2ccc[nH]c1-2	ZINC000002032497	170256876	/nfs/dbraw/zinc/25/68/76/170256876.db2.gz	XIRNQPPYBYNHRW-ZETCQYMHSA-N	-1	0	222.200	0.464	10	30		BCEERM
C=C[C@H](C(=O)[O-])N1CCO[C@](C)(C(F)F)C1	ZINC000663315936	411623118	/nfs/dbraw/zinc/62/31/18/411623118.db2.gz	QDEHBJZPTQGABA-XCBNKYQSSA-N	-1	0	235.230	0.982	10	30		BCEERM
CCOc1nc(C(=O)[O-])cc(N)c1C#N	ZINC000032914798	170602329	/nfs/dbraw/zinc/60/23/29/170602329.db2.gz	WDRMGFHPCHCAMT-UHFFFAOYSA-N	-1	0	207.189	0.632	10	30		BCEERM
COC(=O)c1cc(C#N)nc(C(=O)[O-])c1	ZINC000095765853	173849477	/nfs/dbraw/zinc/84/94/77/173849477.db2.gz	DVIZOQUTJUBIRJ-UHFFFAOYSA-N	-1	0	206.157	0.438	10	30		BCEERM
C[C@@H](CC#N)N(C)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000063096723	175638465	/nfs/dbraw/zinc/63/84/65/175638465.db2.gz	GOLMJTHBYUXADT-IUCAKERBSA-N	-1	0	239.275	0.889	10	30		BCEERM
C[C@@H](NC(=O)NCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000051354826	175839217	/nfs/dbraw/zinc/83/92/17/175839217.db2.gz	BKSVAOTYBUNRBK-MRVPVSSYSA-N	-1	0	247.254	0.831	10	30		BCEERM
C[C@@H]([C@@H](C#N)CPCCC#N)S(=O)(=O)[O-]	ZINC000223709718	176011395	/nfs/dbraw/zinc/01/13/95/176011395.db2.gz	DRDRFJMKDFIYPA-YUMQZZPRSA-N	-1	0	248.244	0.995	10	30		BCEERM
C[C@H](C(=O)[O-])N(C)c1cc(C#N)ccn1	ZINC000054054890	176583717	/nfs/dbraw/zinc/58/37/17/176583717.db2.gz	JAAGPCPICISWJU-SSDOTTSWSA-N	-1	0	205.217	0.863	10	30		BCEERM
C[C@H](O)[C@H](NC(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000019266219	177014060	/nfs/dbraw/zinc/01/40/60/177014060.db2.gz	QOHNTTXXZQTVJX-XVKPBYJWSA-N	-1	0	248.238	0.122	10	30		BCEERM
C[C@H](Oc1ccc(C#N)cc1N)C(=O)[O-]	ZINC000043623607	177022188	/nfs/dbraw/zinc/02/21/88/177022188.db2.gz	QWYSZQMXAQNRJT-LURJTMIESA-N	-1	0	206.201	0.992	10	30		BCEERM
C#C[C@@H]1CCCN1c1ncc(C(=O)[O-])cn1	ZINC000757180552	582553873	/nfs/dbraw/zinc/55/38/73/582553873.db2.gz	YSLPIFJOWGKTDQ-SECBINFHSA-N	-1	0	217.228	0.777	10	30		BCEERM
O=Cc1cn(-c2ccccc2C#CC(=O)[O-])nn1	ZINC000757566861	586306490	/nfs/dbraw/zinc/30/64/90/586306490.db2.gz	GXOSDWNMNKTYBR-UHFFFAOYSA-N	-1	0	241.206	0.516	10	30		BCEERM
Cc1cc(C#CC(=O)[O-])cn2c(C=O)cnc12	ZINC000757568120	586336333	/nfs/dbraw/zinc/33/63/33/586336333.db2.gz	KSBAWBJBGFHINX-UHFFFAOYSA-N	-1	0	228.207	0.891	10	30		BCEERM
COc1cc(C=O)cc(C#CC(=O)[O-])c1OC	ZINC000757569710	586380817	/nfs/dbraw/zinc/38/08/17/586380817.db2.gz	WPRHXVSZAUZLFT-UHFFFAOYSA-N	-1	0	234.207	0.952	10	30		BCEERM
C#C[C@@H]1CCCN1c1ncncc1C(=O)[O-]	ZINC000757175774	586432888	/nfs/dbraw/zinc/43/28/88/586432888.db2.gz	JPCRERGFNYMOCO-MRVPVSSYSA-N	-1	0	217.228	0.777	10	30		BCEERM
C=CCONCc1cc(C(=O)[O-])nn1C	ZINC000757179962	586433458	/nfs/dbraw/zinc/43/34/58/586433458.db2.gz	PJLXDVIGOGCLNP-UHFFFAOYSA-N	-1	0	211.221	0.326	10	30		BCEERM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1OCC[C@@H]1C	ZINC000122691486	589618794	/nfs/dbraw/zinc/61/87/94/589618794.db2.gz	DHWTXJHRJOHQTP-WCBMZHEXSA-N	-1	0	227.260	0.511	10	30		BCEERM
C=CCN(CC(=O)[O-])C(=O)N[C@H]1CCO[C@@H]1C	ZINC000156629935	632396436	/nfs/dbraw/zinc/39/64/36/632396436.db2.gz	OFGGKKPLUJZQOF-BDAKNGLRSA-N	-1	0	242.275	0.446	10	30		BCEERM
C#CC[C@H](NC(=O)[C@@H]1CC[C@@H](C)O1)C(=O)[O-]	ZINC000127399040	636506138	/nfs/dbraw/zinc/50/61/38/636506138.db2.gz	SMNDTZWUXABXJJ-VGMNWLOBSA-N	-1	0	225.244	0.147	10	30		BCEERM
CN(C)S(=O)(=O)[N-]c1sccc1C#N	ZINC000306333706	711468979	/nfs/dbraw/zinc/46/89/79/711468979.db2.gz	DTDKZIZBSRRLQD-UHFFFAOYSA-N	-1	0	231.302	0.838	10	30		BCEERM
C=CCCOCCNC(=O)N(C)[C@@H](C)C(=O)[O-]	ZINC000231837781	641206108	/nfs/dbraw/zinc/20/61/08/641206108.db2.gz	SKNQVSBLKHOBMM-VIFPVBQESA-N	-1	0	244.291	0.694	10	30		BCEERM
N#Cc1cc(C[C@H](O)C(=O)[O-])ccc1F	ZINC000076164755	643130229	/nfs/dbraw/zinc/13/02/29/643130229.db2.gz	UIFNQLGKKZMMJP-VIFPVBQESA-N	-1	0	209.176	0.685	10	30		BCEERM
C#CCN(CC(=O)[O-])C(=O)N1CC[C@H](C)C1	ZINC000086156407	644460098	/nfs/dbraw/zinc/46/00/98/644460098.db2.gz	SCABCUSCSYVLFQ-VIFPVBQESA-N	-1	0	224.260	0.468	10	30		BCEERM
C#CCN(CC)c1ncncc1C(=O)[O-]	ZINC000300964524	645899638	/nfs/dbraw/zinc/89/96/38/645899638.db2.gz	VYZFRAPBFYJIHL-UHFFFAOYSA-N	-1	0	205.217	0.634	10	30		BCEERM