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@@H](O)[C@@H]1C(=O)N2C(C(=O)[O-])=C(S[C@@H]3N[C@H](C(=O)Nc4cccc(C(=O)[O-])c4)CS3)[C@H](C)[C@@H]12	ZINC000004102292	560196776	/nfs/dbraw/zinc/19/67/76/560196776.db2.gz	WQQHQJCEAFGLEA-JUUSNTADSA-N	-2	0	493.563	1.199	1	0	in-vitro	JDAFRL
Cc1c(CN(C)c2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)cnc2nc(N)nc(N)c12	ZINC000001532951	562920473	/nfs/dbraw/zinc/92/04/73/562920473.db2.gz	AQCFFYVRUFKELC-HNNXBMFYSA-N	-2	0	467.486	1.182	1	0		JDAFRL
Cc1c(NCc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)ccc2nc(N)[nH]c(=O)c12	ZINC000001565328	562921466	/nfs/dbraw/zinc/92/14/66/562921466.db2.gz	PWDUHBWWDCSSPY-INIZCTEOSA-N	-2	0	453.455	1.474	1	0		JDAFRL
Nc1nc(N)c2c(ccc(CNc3ccc(C(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc3)c2Cl)n1	ZINC000001607422	562921618	/nfs/dbraw/zinc/92/16/18/562921618.db2.gz	GWIBVUFMBFNYLT-CYBMUJFWSA-N	-2	0	458.862	1.717	1	0		JDAFRL
Cc1cccc2[nH]c(Cc3nc4ccc(C(=O)N[C@@H](C[P@@](=O)([O-])O)C(=O)[O-])cc4n3C)nc21	ZINC000003587853	562927251	/nfs/dbraw/zinc/92/72/51/562927251.db2.gz	RNVXFIHVBGUSFZ-HNNXBMFYSA-N	-2	0	471.410	1.710	1	0		JDAFRL
CCN(Cc1cnc2nc(N)nc(N)c2c1C)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000011687235	562957480	/nfs/dbraw/zinc/95/74/80/562957480.db2.gz	UKWNRXJJWQXNTC-MRXNPFEDSA-N	-2	0	481.513	1.572	1	0		JDAFRL
CC(C)C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(=O)[O-]	ZINC000012473108	562960068	/nfs/dbraw/zinc/96/00/68/562960068.db2.gz	GCTBLAXQLHDUDZ-OKILXGFUSA-N	-2	0	464.562	1.242	3	0		JDAFRL
COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)c(OP(=O)([O-])[O-])c1OP(=O)([O-])[O-]	ZINC000013558333	562974302	/nfs/dbraw/zinc/97/43/02/562974302.db2.gz	UUGYHXURHOMOIB-UHFFFAOYSA-N	-4	0	494.282	1.895	1	0		JDAFRL
CCC[C@@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000013590041	562978182	/nfs/dbraw/zinc/97/81/82/562978182.db2.gz	VIBFQIZOMPFURO-HOCLYGCPSA-N	-2	0	481.513	1.758	1	0		JDAFRL
Nc1nc2ncc3cn(-c4ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc4)cc3c2c(=O)[nH]1	ZINC000013651048	562981572	/nfs/dbraw/zinc/98/15/72/562981572.db2.gz	DAWDAGQDTYQILT-AWEZNQCLSA-N	-2	0	450.411	1.304	1	0		JDAFRL
Nc1nc2[nH]cc(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(=O)[nH]1	ZINC000013671591	562982558	/nfs/dbraw/zinc/98/25/58/562982558.db2.gz	JMZHOXVUVYALKN-HNNXBMFYSA-N	-2	0	455.471	1.447	1	0		JDAFRL
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(C(F)(F)P(=O)([O-])[O-])cc1)C(N)=O	ZINC000013674405	562983022	/nfs/dbraw/zinc/98/30/22/562983022.db2.gz	KPMMESISHWWXNM-ROUUACIJSA-N	-2	0	483.408	1.174	1	0	in-vivo	JDAFRL
Cc1nc2ccc(CN(CCF)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])nc3)cc2c(=O)[nH]1	ZINC000013821868	562997834	/nfs/dbraw/zinc/99/78/34/562997834.db2.gz	PFVMJIRCZWUUMJ-IBGZPJMESA-N	-2	0	485.472	1.650	1	0		JDAFRL
C[C@H](c1nc2ccccc2[nH]1)c1nc2cccc(C(=O)N[C@@H](C[P@@](=O)([O-])O)C(=O)[O-])c2n1C	ZINC000013860222	563001929	/nfs/dbraw/zinc/00/19/29/563001929.db2.gz	FESQCMADYYULGP-BZNIZROVSA-N	-2	0	471.410	1.962	1	0		JDAFRL
C[C@H](c1nc2cc(C(N)=O)ccc2[nH]1)c1nc2cc(C(=O)[C@@H](C[P@@](=O)([O-])O)C(=O)[O-])ccc2n1C	ZINC000013860215	563001959	/nfs/dbraw/zinc/00/19/59/563001959.db2.gz	MXDHXCGIJTWSKJ-ZWNOBZJWSA-N	-2	0	499.420	1.762	1	0		JDAFRL
C[C@H](c1nc2ccccc2[nH]1)c1nc2ccc(C(=O)N[C@H](C[P@@](=O)([O-])O)C(=O)[O-])cc2n1C	ZINC000013860220	563001976	/nfs/dbraw/zinc/00/19/76/563001976.db2.gz	ZVNJVQNMVGIIHK-BDJLRTHQSA-N	-2	0	471.410	1.962	1	0		JDAFRL
Cn1c(Cc2nc3cc(O)ccc3[nH]2)nc2ccc(C(=O)N[C@H](C[P@@](=O)([O-])O)C(=O)[O-])cc21	ZINC000013860251	563001995	/nfs/dbraw/zinc/00/19/95/563001995.db2.gz	HGTFAIYZZVFMNW-OAHLLOKOSA-N	-2	0	473.382	1.107	1	0		JDAFRL
CNc1nc(Cl)nc2c1ncn2CC(CCOP(=O)([O-])[O-])CCOP(=O)([O-])[O-]	ZINC000013864027	563003742	/nfs/dbraw/zinc/00/37/42/563003742.db2.gz	XZSCVJNFUYJEPA-UHFFFAOYSA-N	-4	0	459.720	1.136	1	0		JDAFRL
CNc1nc(Cl)nc2c1ncn2C[C@H](COP(=O)([O-])[O-])COP(=O)(OC)OC	ZINC000013864020	563003750	/nfs/dbraw/zinc/00/37/50/563003750.db2.gz	VXJKJEPLVWDJDH-MRVPVSSYSA-N	-2	0	459.720	1.664	1	0		JDAFRL
CCc1c(Sc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)[nH]c2nc(N)nc(N)c21	ZINC000014967406	563009418	/nfs/dbraw/zinc/00/94/18/563009418.db2.gz	ZXZRTAHHFWSMGX-LBPRGKRZSA-N	-2	0	458.500	1.884	1	0		JDAFRL
CC[C@@H](CC1=Nc2c(N)nc(N)nc2NC1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026002850	563021326	/nfs/dbraw/zinc/02/13/26/563021326.db2.gz	UWJVCMUANRKMFF-NHYWBVRUSA-N	-2	0	469.502	1.771	1	0		JDAFRL
CC[C@H](CC1=Nc2c(N)nc(N)nc2NC1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026002857	563021342	/nfs/dbraw/zinc/02/13/42/563021342.db2.gz	UWJVCMUANRKMFF-ABAIWWIYSA-N	-2	0	469.502	1.771	1	0		JDAFRL
Cc1c(CNc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)cnc2nc(N)nc(N)c12	ZINC000026021778	563021940	/nfs/dbraw/zinc/02/19/40/563021940.db2.gz	HQUYUYFCWLLOEV-AWEZNQCLSA-N	-2	0	453.459	1.158	1	0		JDAFRL
CCC[C@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026376328	563026112	/nfs/dbraw/zinc/02/61/12/563026112.db2.gz	VIBFQIZOMPFURO-GDBMZVCRSA-N	-2	0	481.513	1.758	1	0		JDAFRL
C[C@@H](Cc1cnc2nc(N)nc(N)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026969224	563038308	/nfs/dbraw/zinc/03/83/08/563038308.db2.gz	IBBJCSZQBBGNDY-MEDUHNTESA-N	-2	0	452.471	1.583	1	0		JDAFRL
Nc1nc(=O)c2c([nH]1)NC[C@H](CCCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)C2	ZINC000027100906	563039919	/nfs/dbraw/zinc/03/99/19/563039919.db2.gz	GFHUCCQIBDDMRG-CZUORRHYSA-N	-2	0	457.487	1.007	1	0		JDAFRL
Nc1nc(=O)c2c([nH]1)NC[C@@H](CCCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)C2	ZINC000027100912	563039962	/nfs/dbraw/zinc/03/99/62/563039962.db2.gz	GFHUCCQIBDDMRG-XJKSGUPXSA-N	-2	0	457.487	1.007	1	0		JDAFRL
C[C@H](Cc1ccc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027211449	563042027	/nfs/dbraw/zinc/04/20/27/563042027.db2.gz	GOFXWLAIFGDFSK-BZNIZROVSA-N	-2	0	452.471	1.583	1	0		JDAFRL
CCCN(Cc1cnc2nc(N)nc(N)c2c1C)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027301612	563042352	/nfs/dbraw/zinc/04/23/52/563042352.db2.gz	ABSVSAYXYBUIQL-QGZVFWFLSA-N	-2	0	495.540	1.962	1	0		JDAFRL
CCc1c(CNc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)cnc2nc(N)nc(N)c21	ZINC000027302726	563042441	/nfs/dbraw/zinc/04/24/41/563042441.db2.gz	ZKQYYDSDLPDDIZ-HNNXBMFYSA-N	-2	0	467.486	1.412	1	0		JDAFRL
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c4ccccc34)cnc2n1	ZINC000027420285	563043785	/nfs/dbraw/zinc/04/37/85/563043785.db2.gz	NXSOQESYOFTIRJ-MRXNPFEDSA-N	-2	0	490.480	1.397	1	0		JDAFRL
Nc1cc2c(c(=O)[nH]1)C[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CCN2	ZINC000027522512	563045130	/nfs/dbraw/zinc/04/51/30/563045130.db2.gz	OYZJAEQJHDLZOE-YOEHRIQHSA-N	-2	0	456.499	1.612	1	0		JDAFRL
O=C([O-])CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)S(=O)(=O)C[P@](=O)([O-])O	ZINC000027620831	563047255	/nfs/dbraw/zinc/04/72/55/563047255.db2.gz	KSMRYGYJCPJIEJ-KRWDZBQOSA-N	-2	0	455.425	1.406	1	0		JDAFRL
C[C@H](CC[C@H]1CNc2nc(N)nc(N)c21)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027629827	563047544	/nfs/dbraw/zinc/04/75/44/563047544.db2.gz	QKDOCKAXPOPXJW-BYCMXARLSA-N	-2	0	456.503	1.782	1	0		JDAFRL
C[C@@H](CCc1c[nH]c2nc(N)nc(N)c12)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027637509	563047811	/nfs/dbraw/zinc/04/78/11/563047811.db2.gz	XKYWSCPLPKXCDI-XHDPSFHLSA-N	-2	0	454.487	1.906	1	0		JDAFRL
CNc1nc(Cl)nc2c1ncn2[C@H]1C[C@@H](OC(=O)NC(C)C)[C@@H](COP(=O)([O-])[O-])O1	ZINC000027639499	563048015	/nfs/dbraw/zinc/04/80/15/563048015.db2.gz	LBWNKEMQGZCSLS-OPRDCNLKSA-N	-2	0	464.803	1.421	1	0		JDAFRL
CCNC(=O)O[C@@H]1C[C@@H](n2cnc3c2nc(Cl)nc3NC)O[C@@H]1COP(=O)([O-])[O-]	ZINC000027647937	563048410	/nfs/dbraw/zinc/04/84/10/563048410.db2.gz	MQNFGUFUZMEZGG-HLTSFMKQSA-N	-2	0	450.776	1.033	1	0		JDAFRL
COc1nc2ccc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000027652501	563048858	/nfs/dbraw/zinc/04/88/58/563048858.db2.gz	IVCBLBWUFFKBKZ-SFHVURJKSA-N	-2	0	468.466	1.616	1	0		JDAFRL
CC(=O)N[C@@H](CSC(=O)Nc1ccc(NC(=O)SC[C@@H](NC(C)=O)C(=O)[O-])cc1)C(=O)[O-]	ZINC000028469706	563065174	/nfs/dbraw/zinc/06/51/74/563065174.db2.gz	LRBOGZIODJYRGY-OKILXGFUSA-N	-2	0	486.528	1.395	1	0		JDAFRL
O=C([O-])CN1CSC(=S)N(CCCCCCN2CN(CC(=O)[O-])CSC2=S)C1	ZINC000028569590	563070467	/nfs/dbraw/zinc/07/04/67/563070467.db2.gz	MMGVGQDXGVQPKM-UHFFFAOYSA-N	-2	0	466.676	1.817	1	0		JDAFRL
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCCCCCC(=O)[O-])C(=O)[O-])cc3)cnc2n1	ZINC000028763807	563078512	/nfs/dbraw/zinc/07/85/12/563078512.db2.gz	BCSXSIFOTDDJGP-INIZCTEOSA-N	-2	0	496.528	1.805	1	0		JDAFRL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21	ZINC000029135266	563097995	/nfs/dbraw/zinc/09/79/95/563097995.db2.gz	JFTNYTMWZHTTBD-AZXOCPPLSA-N	-2	0	461.371	1.239	1	0		JDAFRL
Nc1nc2c(c(=O)[nH]1)N[C@H](CCNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000029318455	563100053	/nfs/dbraw/zinc/10/00/53/563100053.db2.gz	KWOGIKPULGQYDN-ZFWWWQNUSA-N	-2	0	458.475	1.041	1	0		JDAFRL
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCCCC(=O)[O-])C(=O)[O-])cc1	ZINC000029409585	563103106	/nfs/dbraw/zinc/10/31/06/563103106.db2.gz	OOTDXCUPXQETAY-HNNXBMFYSA-N	-2	0	482.501	1.049	1	0		JDAFRL
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCCCCC(=O)[O-])C(=O)[O-])cc1	ZINC000029416940	563103770	/nfs/dbraw/zinc/10/37/70/563103770.db2.gz	FNANGUHFLFYAFR-INIZCTEOSA-N	-2	0	496.528	1.439	1	0		JDAFRL
O=C([O-])CC[C@@H](NC(=O)c1ccc(CNc2nc3ccccc3nc2C(=O)[O-])cc1)C(=O)[O-]	ZINC000031872341	563108848	/nfs/dbraw/zinc/10/88/48/563108848.db2.gz	KTSGGWXJZLGWHK-MRXNPFEDSA-N	-3	0	452.423	1.988	1	0		JDAFRL
O=C([O-])CC[C@H](NC(=O)N[C@@H](CCCC[NH2+]Cc1ccc(Br)cc1)C(=O)[O-])C(=O)[O-]	ZINC000040430997	563143737	/nfs/dbraw/zinc/14/37/37/563143737.db2.gz	RTUFIFJAKPIHLG-GJZGRUSLSA-N	-2	0	488.335	1.779	1	0		JDAFRL
O=C([O-])C(=O)N[C@H](Cc1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1)C(=O)[O-]	ZINC000045374033	563194018	/nfs/dbraw/zinc/19/40/18/563194018.db2.gz	RSQROISKTQNLFB-CQSZACIVSA-N	-2	0	472.269	1.413	1	0		JDAFRL
CC(C)C[C@H](NC(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)[O-])C(=O)[O-]	ZINC000045394263	563195254	/nfs/dbraw/zinc/19/52/54/563195254.db2.gz	XZRCMEYKRXIALC-RYUDHWBXSA-N	-2	0	464.256	1.791	1	0		JDAFRL
C[C@H](Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)C[C@H]1CNc2[nH]c(N)nc(=O)c2N1	ZINC000253848746	581097772	/nfs/dbraw/zinc/09/77/72/581097772.db2.gz	BEYZYYLWBYDYNB-BYCMXARLSA-N	-2	0	472.502	1.287	1	0		JDAFRL
C[C@H]1c2c(=O)nc(N)[nH]c2NC[C@H]1CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026258169	581097841	/nfs/dbraw/zinc/09/78/41/581097841.db2.gz	CJYJOFHMOJCKDH-DFBGVHRSSA-N	-2	0	457.487	1.178	1	0		JDAFRL
O=C([O-])CC[C@H](NC(=O)c1ccc(CNc2nc3ccccc3nc2C(=O)[O-])cc1)C(=O)[O-]	ZINC000001651368	562922429	/nfs/dbraw/zinc/92/24/29/562922429.db2.gz	KTSGGWXJZLGWHK-INIZCTEOSA-N	-3	0	452.423	1.988	1	0		JDAFRL
COc1cccc2[nH]c(Cc3nc4ccc(C(=O)N[C@@H](C[P@@](=O)([O-])O)C(=O)[O-])cc4n3C)nc21	ZINC000003587796	562927244	/nfs/dbraw/zinc/92/72/44/562927244.db2.gz	KZHDFEYBWTZJGE-AWEZNQCLSA-N	-2	0	487.409	1.410	1	0		JDAFRL
Nc1nc(=O)c2c([nH]1)NC[C@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)S2	ZINC000008642281	562948431	/nfs/dbraw/zinc/94/84/31/562948431.db2.gz	KXVFDIDJQOTBSL-STQMWFEESA-N	-2	0	461.500	1.331	1	0		JDAFRL
Cc1c(CN(C)c2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)cnc2nc(N)nc(N)c12	ZINC000011687838	562957477	/nfs/dbraw/zinc/95/74/77/562957477.db2.gz	AQCFFYVRUFKELC-OAHLLOKOSA-N	-2	0	467.486	1.182	1	0		JDAFRL
CCCCCNC(=O)[C@@H](CCc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)CCC(=O)[O-]	ZINC000013472214	562965761	/nfs/dbraw/zinc/96/57/61/562965761.db2.gz	XKCDBGVIQQCVTI-MRXNPFEDSA-N	-3	0	466.487	1.192	1	0		JDAFRL
CCCCCNC(=O)[C@H](Cc1ccc(O[C@H](CC(=O)[O-])C(=O)[O-])cc1)NC(=O)CCC(=O)[O-]	ZINC000013472223	562965770	/nfs/dbraw/zinc/96/57/70/562965770.db2.gz	JQEOIKODJAHHEG-DLBZAZTESA-N	-3	0	466.487	1.192	1	0		JDAFRL
CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000013680746	562984132	/nfs/dbraw/zinc/98/41/32/562984132.db2.gz	TXULAHBZZCHUNL-LBPRGKRZSA-N	-2	0	459.484	1.595	1	0		JDAFRL
Cc1nc2ccc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000013724760	562984702	/nfs/dbraw/zinc/98/47/02/562984702.db2.gz	SFGICYDWGLAKND-IBGZPJMESA-N	-2	0	452.467	1.916	1	0		JDAFRL
CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1nnc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s1	ZINC000013821856	562997753	/nfs/dbraw/zinc/99/77/53/562997753.db2.gz	XKJRUIAEMMMVAC-AWEZNQCLSA-N	-2	0	474.499	1.157	1	0		JDAFRL
Cc1nc2ccc(N(CCO)Cc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=O)[nH]1	ZINC000013822819	562997902	/nfs/dbraw/zinc/99/79/02/562997902.db2.gz	PAXREIMGPYLKIX-KRWDZBQOSA-N	-2	0	488.522	1.340	1	0		JDAFRL
Cn1c(Cc2nc3cc(F)ccc3[nH]2)nc2ccc(C(=O)N[C@H](C[P@@](=O)([O-])O)C(=O)[O-])cc21	ZINC000013860234	563001883	/nfs/dbraw/zinc/00/18/83/563001883.db2.gz	MONOMEPHEGXJGU-OAHLLOKOSA-N	-2	0	475.373	1.540	1	0		JDAFRL
C[C@@H](c1nc2ccccc2[nH]1)c1nc2ccc(C(=O)N[C@H](C[P@@](=O)([O-])O)C(=O)[O-])cc2n1C	ZINC000013860219	563001970	/nfs/dbraw/zinc/00/19/70/563001970.db2.gz	ZVNJVQNMVGIIHK-MEDUHNTESA-N	-2	0	471.410	1.962	1	0		JDAFRL
C[C@@H](c1nc2cc(C(N)=O)ccc2[nH]1)c1nc2cc(C(=O)[C@H](C[P@@](=O)([O-])O)C(=O)[O-])ccc2n1C	ZINC000013860216	563002003	/nfs/dbraw/zinc/00/20/03/563002003.db2.gz	MXDHXCGIJTWSKJ-GWCFXTLKSA-N	-2	0	499.420	1.762	1	0		JDAFRL
C[C@H](c1nc2ccccc2[nH]1)c1nc2cccc(C(=O)N[C@H](C[P@@](=O)([O-])O)C(=O)[O-])c2n1C	ZINC000013860224	563002006	/nfs/dbraw/zinc/00/20/06/563002006.db2.gz	FESQCMADYYULGP-BDJLRTHQSA-N	-2	0	471.410	1.962	1	0		JDAFRL
CC[C@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s1	ZINC000013904157	563004387	/nfs/dbraw/zinc/00/43/87/563004387.db2.gz	GEHSFAONYUHADA-KOLCDFICSA-N	-2	0	473.515	1.430	1	0		JDAFRL
O=C(CCc1cccc(NS(=O)(=O)[O-])c1)N1CCc2ccc(NS(=O)(=O)[O-])cc2C1	ZINC000014952773	563007331	/nfs/dbraw/zinc/00/73/31/563007331.db2.gz	FXQBEIAXSVCANH-UHFFFAOYSA-N	-2	0	455.514	1.634	1	0		JDAFRL
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1[P@](=O)([O-])C[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000014976250	563010384	/nfs/dbraw/zinc/01/03/84/563010384.db2.gz	YWCPOAHEVGIUKQ-HOJAQTOUSA-N	-2	0	476.470	1.619	1	0		JDAFRL
C[C@@H]1c2c(=O)nc(N)[nH]c2NC[C@@H]1CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026258161	563024676	/nfs/dbraw/zinc/02/46/76/563024676.db2.gz	CJYJOFHMOJCKDH-CQDKDKBSSA-N	-2	0	457.487	1.178	1	0		JDAFRL
CC[C@@H](Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)c1cnc2nc(N)nc(N)c2n1	ZINC000026258459	563024711	/nfs/dbraw/zinc/02/47/11/563024711.db2.gz	BRBJBKGSGUBGLP-GXTWGEPZSA-N	-2	0	467.486	1.368	1	0		JDAFRL
C[C@@H]1c2c(=O)nc(N)[nH]c2NC[C@H]1CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026258176	563024717	/nfs/dbraw/zinc/02/47/17/563024717.db2.gz	CJYJOFHMOJCKDH-GLQYFDAESA-N	-2	0	457.487	1.178	1	0		JDAFRL
CN(Cc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)c1ccc2nc(N)[nH]c(=O)c2c1	ZINC000026393455	563027280	/nfs/dbraw/zinc/02/72/80/563027280.db2.gz	PPQUHGJMVMCXPI-KRWDZBQOSA-N	-2	0	453.455	1.190	1	0		JDAFRL
Cc1c(N(C)Cc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)ccc2nc(N)[nH]c(=O)c12	ZINC000026472861	563028008	/nfs/dbraw/zinc/02/80/08/563028008.db2.gz	OLONLVVONCLGDP-INIZCTEOSA-N	-2	0	467.482	1.498	1	0		JDAFRL
Cc1cc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])sc1CC[C@H]1CNc2[nH]c(N)nc(=O)c2S1	ZINC000026505012	563029305	/nfs/dbraw/zinc/02/93/05/563029305.db2.gz	JXLUUFBZGXCZRH-VHSXEESVSA-N	-2	0	481.556	1.289	1	0		JDAFRL
Nc1nc(N)c2c(ncc3c2CC[C@@H](c2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)C3)n1	ZINC000026959594	563038117	/nfs/dbraw/zinc/03/81/17/563038117.db2.gz	TWQHKMFGGWXDNM-CZUORRHYSA-N	-2	0	464.482	1.510	1	0		JDAFRL
C[C@H](Cc1cnc2nc(N)nc(N)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026969231	563038307	/nfs/dbraw/zinc/03/83/07/563038307.db2.gz	IBBJCSZQBBGNDY-BDJLRTHQSA-N	-2	0	452.471	1.583	1	0		JDAFRL
C[C@@H](Cc1ccc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027211445	563041999	/nfs/dbraw/zinc/04/19/99/563041999.db2.gz	GOFXWLAIFGDFSK-ZBEGNZNMSA-N	-2	0	452.471	1.583	1	0		JDAFRL
CCc1c(CN(C)c2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s2)cnc2nc(N)nc(N)c21	ZINC000027216051	563042255	/nfs/dbraw/zinc/04/22/55/563042255.db2.gz	FYEZZWUVAUCFTA-LBPRGKRZSA-N	-2	0	487.542	1.497	1	0		JDAFRL
CCCN(Cc1cnc2nc(N)nc(N)c2c1C)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027301606	563042361	/nfs/dbraw/zinc/04/23/61/563042361.db2.gz	ABSVSAYXYBUIQL-KRWDZBQOSA-N	-2	0	495.540	1.962	1	0		JDAFRL
Cc1c(CN(C)c2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s2)cnc2nc(N)nc(N)c12	ZINC000027303047	563042430	/nfs/dbraw/zinc/04/24/30/563042430.db2.gz	RSBODQKSFGCIIY-LLVKDONJSA-N	-2	0	473.515	1.243	1	0		JDAFRL
CNc1nc(Cl)nc2c1ncn2[C@H]1C[C@@H](OP(=O)([O-])[O-])[C@]2(COP(=O)([O-])[O-])C[C@H]12	ZINC000027556342	563046385	/nfs/dbraw/zinc/04/63/85/563046385.db2.gz	NDCFGYFBDZLTJB-LJYOZPSBSA-N	-4	0	469.715	1.060	1	0		JDAFRL
C[C@@H](CC[C@H]1CNc2nc(N)nc(N)c21)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027629822	563047499	/nfs/dbraw/zinc/04/74/99/563047499.db2.gz	QKDOCKAXPOPXJW-TUKIKUTGSA-N	-2	0	456.503	1.782	1	0		JDAFRL
CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])c(F)c1F)NC(=O)CCC(=O)[O-]	ZINC000027713312	563049952	/nfs/dbraw/zinc/04/99/52/563049952.db2.gz	XBTLDWOVYDWBST-LBPRGKRZSA-N	-3	0	488.440	1.080	1	0		JDAFRL
CCCCCCNC(=O)[C@@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)CCC(=O)[O-]	ZINC000027714356	563050004	/nfs/dbraw/zinc/05/00/04/563050004.db2.gz	LLGYHAVCRRVVNF-MRXNPFEDSA-N	-3	0	466.487	1.192	1	0		JDAFRL
CCCCCNC(=O)[C@@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)CCCC(=O)[O-]	ZINC000027714489	563050074	/nfs/dbraw/zinc/05/00/74/563050074.db2.gz	HBNJXZXNJTUGGD-MRXNPFEDSA-N	-3	0	466.487	1.192	1	0		JDAFRL
C[C@](CCC(=O)[O-])(NC(=O)c1ccc(CC[C@H]2CNc3nc(N)nc(N)c3C2)s1)C(=O)[O-]	ZINC000027880451	563052641	/nfs/dbraw/zinc/05/26/41/563052641.db2.gz	KHOJROSRJZQVSX-CFMSYZGJSA-N	-2	0	462.532	1.357	1	0		JDAFRL
Cc1nc2nc(N)nc(N)c2cc1CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000028227764	563058113	/nfs/dbraw/zinc/05/81/13/563058113.db2.gz	QGMRDFWXSGQBNZ-OAHLLOKOSA-N	-2	0	453.459	1.158	1	0		JDAFRL
C[C@H](Cc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC1=Nc2c(nc(N)[nH]c2=O)NC1	ZINC000028260694	563059442	/nfs/dbraw/zinc/05/94/42/563059442.db2.gz	BLLHPJWVVWYMOU-ABAIWWIYSA-N	-2	0	470.486	1.167	1	0		JDAFRL
CC(=O)N[C@H](CSC(=O)Nc1cccc(NC(=O)SC[C@@H](NC(C)=O)C(=O)[O-])c1)C(=O)[O-]	ZINC000028465324	563064982	/nfs/dbraw/zinc/06/49/82/563064982.db2.gz	JSFCUSVJNDMUFQ-ZIAGYGMSSA-N	-2	0	486.528	1.395	1	0		JDAFRL
Nc1nc2c(c(=O)[nH]1)N[C@@H](CCNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000029318450	563100078	/nfs/dbraw/zinc/10/00/78/563100078.db2.gz	KWOGIKPULGQYDN-HIFRSBDPSA-N	-2	0	458.475	1.041	1	0		JDAFRL
CN(Cc1ccc2nc(CO)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s1	ZINC000029339735	563100884	/nfs/dbraw/zinc/10/08/84/563100884.db2.gz	ICHJJRIRWZJCEP-CQSZACIVSA-N	-2	0	474.495	1.573	1	0		JDAFRL
Cc1nc2ccc(CN(CCO)c3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=O)[nH]1	ZINC000029348358	563101425	/nfs/dbraw/zinc/10/14/25/563101425.db2.gz	PQDODGYVNZOBOU-MRXNPFEDSA-N	-2	0	488.522	1.752	1	0		JDAFRL
CCN(Cc1ccc2nc(CO)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s1	ZINC000029348395	563101490	/nfs/dbraw/zinc/10/14/90/563101490.db2.gz	WYHZLPKNEFOFDC-OAHLLOKOSA-N	-2	0	488.522	1.964	1	0		JDAFRL
CS[C@@H](CCCc1c(N)[nH]c(N)nc1=O)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000040845560	563149195	/nfs/dbraw/zinc/14/91/95/563149195.db2.gz	GEZLAVXTPLTVRU-GJZGRUSLSA-N	-2	0	477.543	1.409	1	0	in-vitro	JDAFRL
O=C([O-])CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Nc1ccc(Cl)cc1)C(=O)[O-])C(=O)[O-]	ZINC000040973204	563161466	/nfs/dbraw/zinc/16/14/66/563161466.db2.gz	VSJUFKLNBGXFBO-KBPBESRZSA-N	-3	0	472.882	1.702	1	0		JDAFRL
CC(C)C[C@H](NC(=O)/C=C/c1ccc(OP(=O)([O-])[O-])cc1)C(=O)N1CCC[C@H]1C(N)=O	ZINC000045287150	563184212	/nfs/dbraw/zinc/18/42/12/563184212.db2.gz	MYAWYPJWTGJXHG-RRUDCUFVSA-N	-2	0	453.432	1.179	1	0		JDAFRL
C[C@H](Nc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000053151198	563205106	/nfs/dbraw/zinc/20/51/06/563205106.db2.gz	RPRLFYWSPUCFEU-GTNSWQLSSA-N	-2	0	453.455	1.726	1	0		JDAFRL
C[C@@H]1c2c(=O)nc(N)[nH]c2NC[C@@H]1CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000058587173	563207983	/nfs/dbraw/zinc/20/79/83/563207983.db2.gz	CJYJOFHMOJCKDH-TUKIKUTGSA-N	-2	0	457.487	1.178	1	0		JDAFRL
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](COP(=O)([O-])[O-])O2)cc1-c1ccc(OCc2ccccc2)cc1	ZINC000169713166	581098048	/nfs/dbraw/zinc/09/80/48/581098048.db2.gz	WBQVPNGHCJTSSK-AQNXPRMDSA-N	-2	0	490.405	1.540	1	0		JDAFRL
O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@@H](COP(=O)([O-])[O-])O2)cc1-c1ccc(OCc2ccccc2)cc1	ZINC000169713167	581098080	/nfs/dbraw/zinc/09/80/80/581098080.db2.gz	WBQVPNGHCJTSSK-VAMGGRTRSA-N	-2	0	490.405	1.540	1	0		JDAFRL
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](COP(=O)([O-])[O-])O2)cc1-c1ccc(OCc2ccccc2)cc1	ZINC000036350159	581098186	/nfs/dbraw/zinc/09/81/86/581098186.db2.gz	WBQVPNGHCJTSSK-AABGKKOBSA-N	-2	0	490.405	1.540	1	0		JDAFRL
CCN(Cc1cnc2nc(N)nc(N)c2c1C)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000001533030	562920452	/nfs/dbraw/zinc/92/04/52/562920452.db2.gz	UKWNRXJJWQXNTC-INIZCTEOSA-N	-2	0	481.513	1.572	1	0		JDAFRL
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCCCC(=O)[O-])C(=O)[O-])cc3)cnc2n1	ZINC000001556423	562921396	/nfs/dbraw/zinc/92/13/96/562921396.db2.gz	BEEXXHBYJPWAHE-AWEZNQCLSA-N	-2	0	468.474	1.024	1	0		JDAFRL
Nc1nc(N)c2cc(CN(C=O)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)ccc2n1	ZINC000001565332	562921537	/nfs/dbraw/zinc/92/15/37/562921537.db2.gz	WFKZHYAJLQEESN-KRWDZBQOSA-N	-2	0	466.454	1.005	1	0		JDAFRL
NS(=O)(=O)c1cc2c(cc1Cl)[N-]C(C(=O)c1cc(=O)c3ccc([O-])cc3o1)=NS2(=O)=O	ZINC000001630096	562921840	/nfs/dbraw/zinc/92/18/40/562921840.db2.gz	CLWGBCZPYDLUOV-UHFFFAOYSA-N	-2	0	483.867	1.195	1	0		JDAFRL
CN(Cc1ccc2nc(N)nc(N)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000001702724	562923294	/nfs/dbraw/zinc/92/32/94/562923294.db2.gz	GVCHCLIZELWQCL-QGZVFWFLSA-N	-2	0	452.471	1.478	1	0		JDAFRL
Nc1nc2ccc(CN(CCF)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000004619452	562933526	/nfs/dbraw/zinc/93/35/26/562933526.db2.gz	QUHSPLVBAACUQP-SFHVURJKSA-N	-2	0	485.472	1.529	1	0		JDAFRL
CCCCCNC(=O)[C@H](Cc1ccc(CC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)CCC(=O)[O-]	ZINC000013472225	562965732	/nfs/dbraw/zinc/96/57/32/562965732.db2.gz	YARZODACZZOYEL-KRWDZBQOSA-N	-3	0	450.488	1.213	1	0		JDAFRL
CCCCCNC(=O)[C@H](Cc1ccc(O[C@@H](CC(=O)[O-])C(=O)[O-])cc1)NC(=O)CCC(=O)[O-]	ZINC000013472222	562965772	/nfs/dbraw/zinc/96/57/72/562965772.db2.gz	JQEOIKODJAHHEG-IRXDYDNUSA-N	-3	0	466.487	1.192	1	0		JDAFRL
Nc1nc(N)c2cc(COC(=O)c3ccc(C(=O)N[C@@H](CCCC(=O)[O-])C(=O)[O-])cc3)ccc2n1	ZINC000013525048	562971419	/nfs/dbraw/zinc/97/14/19/562971419.db2.gz	GJUWHLSSVGPWOZ-KRWDZBQOSA-N	-2	0	481.465	1.589	1	0		JDAFRL
CNc1nc(SC)nc2c1ncn2[C@H]1C[C@H](OP(=O)([O-])[O-])[C@]2(COP(=O)([O-])[O-])C[C@H]12	ZINC000013528979	562971943	/nfs/dbraw/zinc/97/19/43/562971943.db2.gz	AVJWGKNPHWXPQA-JWUFEOHASA-N	-4	0	481.364	1.128	1	0		JDAFRL
CCC[C@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000013590042	562978199	/nfs/dbraw/zinc/97/81/99/562978199.db2.gz	VIBFQIZOMPFURO-ZBFHGGJFSA-N	-2	0	481.513	1.758	1	0		JDAFRL
CCc1cc(CCCSc2c(N)[nH]c(N)nc2=O)sc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000013606140	562978755	/nfs/dbraw/zinc/97/87/55/562978755.db2.gz	YBDNVGJNYGPGFB-NSHDSACASA-N	-2	0	483.572	1.743	1	0		JDAFRL
CNc1ncnc2c1ncn2CCCCCC(COP(=O)([O-])[O-])COP(=O)([O-])[O-]	ZINC000013805506	562995140	/nfs/dbraw/zinc/99/51/40/562995140.db2.gz	GKRMAHHCPPIGRZ-UHFFFAOYSA-N	-4	0	453.329	1.263	1	0		JDAFRL
Cc1nc2ccc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])nc3)cc2c(=O)[nH]1	ZINC000013821860	562997838	/nfs/dbraw/zinc/99/78/38/562997838.db2.gz	ALIVLIRXIXMMMU-SFHVURJKSA-N	-2	0	453.455	1.311	1	0		JDAFRL
C[C@@H](c1nc2ccccc2[nH]1)c1nc2cccc(C(=O)N[C@@H](C[P@@](=O)([O-])O)C(=O)[O-])c2n1C	ZINC000013860221	563001894	/nfs/dbraw/zinc/00/18/94/563001894.db2.gz	FESQCMADYYULGP-ZBEGNZNMSA-N	-2	0	471.410	1.962	1	0		JDAFRL
Cn1c(Cc2nc3cc(O)ccc3[nH]2)nc2ccc(C(=O)N[C@@H](C[P@@](=O)([O-])O)C(=O)[O-])cc21	ZINC000013860250	563001954	/nfs/dbraw/zinc/00/19/54/563001954.db2.gz	HGTFAIYZZVFMNW-HNNXBMFYSA-N	-2	0	473.382	1.107	1	0		JDAFRL
COc1ccc2[nH]c(Cc3nc4ccc(C(=O)N[C@@H](C[P@@](=O)([O-])O)C(=O)[O-])cc4n3C)nc2c1	ZINC000013860252	563001979	/nfs/dbraw/zinc/00/19/79/563001979.db2.gz	WBKABXYVMIMBTM-INIZCTEOSA-N	-2	0	487.409	1.410	1	0		JDAFRL
Cc1c(NCc2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)ccc2nc(N)[nH]c(=O)c12	ZINC000017106144	563013474	/nfs/dbraw/zinc/01/34/74/563013474.db2.gz	PWDUHBWWDCSSPY-MRXNPFEDSA-N	-2	0	453.455	1.474	1	0		JDAFRL
CC(C)N(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026014652	563021771	/nfs/dbraw/zinc/02/17/71/563021771.db2.gz	LMMOSQPNZLZCQI-HNNXBMFYSA-N	-2	0	482.501	1.047	1	0		JDAFRL
CC(C)N(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026014659	563021804	/nfs/dbraw/zinc/02/18/04/563021804.db2.gz	LMMOSQPNZLZCQI-OAHLLOKOSA-N	-2	0	482.501	1.047	1	0		JDAFRL
Cc1c(CCc2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)cnc2nc(N)[nH]c(=O)c12	ZINC000026259049	563024731	/nfs/dbraw/zinc/02/47/31/563024731.db2.gz	MVGRHDQQJXAAAZ-OAHLLOKOSA-N	-2	0	453.455	1.042	1	0		JDAFRL
Nc1nc(N)c2cc(N(C=O)Cc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)ccc2n1	ZINC000026269919	563025106	/nfs/dbraw/zinc/02/51/06/563025106.db2.gz	RUGCGRLQNAZXOP-KRWDZBQOSA-N	-2	0	466.454	1.005	1	0		JDAFRL
Cc1c(CCc2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)cnc2nc(N)nc(N)c12	ZINC000026275194	563025275	/nfs/dbraw/zinc/02/52/75/563025275.db2.gz	VZPGIYJALNDTGL-OAHLLOKOSA-N	-2	0	452.471	1.331	1	0		JDAFRL
CN(Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)c1ccc2nc(N)[nH]c(=O)c2c1	ZINC000026393458	563027279	/nfs/dbraw/zinc/02/72/79/563027279.db2.gz	PPQUHGJMVMCXPI-QGZVFWFLSA-N	-2	0	453.455	1.190	1	0		JDAFRL
Cc1cc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])sc1CC[C@@H]1CNc2[nH]c(N)nc(=O)c2S1	ZINC000026505010	563029379	/nfs/dbraw/zinc/02/93/79/563029379.db2.gz	JXLUUFBZGXCZRH-NXEZZACHSA-N	-2	0	481.556	1.289	1	0		JDAFRL
Cc1nc2ccc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(N)c3)cc2c(=O)[nH]1	ZINC000026833114	563036337	/nfs/dbraw/zinc/03/63/37/563036337.db2.gz	WHPNNLNICFSLDK-IBGZPJMESA-N	-2	0	467.482	1.498	1	0		JDAFRL
CCCc1c(CNc2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)cnc2nc(N)nc(N)c21	ZINC000027304295	563042407	/nfs/dbraw/zinc/04/24/07/563042407.db2.gz	PQZZBDUMSDNDHN-MRXNPFEDSA-N	-2	0	481.513	1.802	1	0		JDAFRL
Cc1c(CNc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s2)cnc2nc(N)nc(N)c12	ZINC000027305622	563042445	/nfs/dbraw/zinc/04/24/45/563042445.db2.gz	SUWFGMIUXUVQEV-JTQLQIEISA-N	-2	0	459.488	1.219	1	0		JDAFRL
C[C@H](CCc1c[nH]c2nc(N)nc(N)c12)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027637515	563047829	/nfs/dbraw/zinc/04/78/29/563047829.db2.gz	XKYWSCPLPKXCDI-IAQYHMDHSA-N	-2	0	454.487	1.906	1	0		JDAFRL
CCNC(=O)O[C@@H]1C[C@H](n2cnc3c2nc(Cl)nc3NC)O[C@@H]1COP(=O)([O-])[O-]	ZINC000027647941	563048417	/nfs/dbraw/zinc/04/84/17/563048417.db2.gz	MQNFGUFUZMEZGG-IWSPIJDZSA-N	-2	0	450.776	1.033	1	0		JDAFRL
CCCCCNC(=O)[C@@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])c(F)c1F)NC(=O)CCC(=O)[O-]	ZINC000027713306	563049920	/nfs/dbraw/zinc/04/99/20/563049920.db2.gz	XBTLDWOVYDWBST-GFCCVEGCSA-N	-3	0	488.440	1.080	1	0		JDAFRL
C[C@H](C[C@@H]1CNc2[nH]c(N)nc(=O)c2C1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027740710	563050974	/nfs/dbraw/zinc/05/09/74/563050974.db2.gz	ISZMJIOSOYNEIB-WQGACYEGSA-N	-2	0	457.487	1.178	1	0		JDAFRL
C[C@](CCC(=O)[O-])(NC(=O)c1ccc(CC[C@@H]2CNc3nc(N)nc(N)c3C2)s1)C(=O)[O-]	ZINC000027880447	563052614	/nfs/dbraw/zinc/05/26/14/563052614.db2.gz	KHOJROSRJZQVSX-WVDJIFEKSA-N	-2	0	462.532	1.357	1	0		JDAFRL
CC(C)(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000028234493	563058417	/nfs/dbraw/zinc/05/84/17/563058417.db2.gz	UNDZSJQMMOCFIZ-CQSZACIVSA-N	-2	0	467.486	1.152	1	0		JDAFRL
CC(=O)N[C@@H](CSC(=O)Nc1cccc(NC(=O)SC[C@@H](NC(C)=O)C(=O)[O-])c1)C(=O)[O-]	ZINC000028465319	563064938	/nfs/dbraw/zinc/06/49/38/563064938.db2.gz	JSFCUSVJNDMUFQ-OKILXGFUSA-N	-2	0	486.528	1.395	1	0		JDAFRL
CC(=O)N[C@H](CSC(=O)Nc1ccc(NC(=O)SC[C@@H](NC(C)=O)C(=O)[O-])cc1)C(=O)[O-]	ZINC000028469709	563065214	/nfs/dbraw/zinc/06/52/14/563065214.db2.gz	LRBOGZIODJYRGY-ZIAGYGMSSA-N	-2	0	486.528	1.395	1	0		JDAFRL
O=C([O-])CCCC(=O)N[C@@H](CSCc1ccc(Br)cc1)C(=O)NCC(=O)[O-]	ZINC000029211323	563098570	/nfs/dbraw/zinc/09/85/70/563098570.db2.gz	YNOWLAGOASVJPR-ZDUSSCGKSA-N	-2	0	461.334	1.623	1	0		JDAFRL
Nc1nc2ccc(CN(CCCO)c3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000029248344	563099453	/nfs/dbraw/zinc/09/94/53/563099453.db2.gz	UWXDMDUYPGBCEH-LJQANCHMSA-N	-2	0	497.508	1.354	1	0		JDAFRL
Nc1nc2ccc(CN(CCCO)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000029248338	563099469	/nfs/dbraw/zinc/09/94/69/563099469.db2.gz	UWXDMDUYPGBCEH-IBGZPJMESA-N	-2	0	497.508	1.354	1	0		JDAFRL
Nc1nc2ccc(CN(CCF)c3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000029247914	563099498	/nfs/dbraw/zinc/09/94/98/563099498.db2.gz	QUHSPLVBAACUQP-GOSISDBHSA-N	-2	0	485.472	1.942	1	0		JDAFRL
Nc1nc2ccc(CCNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)nc2c(=O)[nH]1	ZINC000029321726	563100239	/nfs/dbraw/zinc/10/02/39/563100239.db2.gz	NHMPJFQQAWJNNS-OAHLLOKOSA-N	-2	0	454.443	1.015	1	0		JDAFRL
Cc1nc2ccc(CN(C)c3cnc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=O)[nH]1	ZINC000029391125	563101658	/nfs/dbraw/zinc/10/16/58/563101658.db2.gz	XUGXBPUAQDHYCB-CQSZACIVSA-N	-2	0	459.484	1.785	1	0		JDAFRL
C[C@@H](CS(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])NS(=O)(=O)c1ccc(-c2ccccc2)cc1	ZINC000043068678	563166131	/nfs/dbraw/zinc/16/61/31/563166131.db2.gz	GIBQDXZIIALFGR-KBXCAEBGSA-N	-2	0	484.552	1.258	1	0		JDAFRL
Cc1nc2ccc(S(=O)(=O)Nc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000045193863	563176921	/nfs/dbraw/zinc/17/69/21/563176921.db2.gz	QCJPBMQVLKBJFF-KRWDZBQOSA-N	-2	0	488.478	1.080	1	0		JDAFRL
CC[C@H]1c2c(=O)nc(N)[nH]c2NC[C@@H]1CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026263011	581097517	/nfs/dbraw/zinc/09/75/17/581097517.db2.gz	GOKSNIJPDRLOBQ-XHSDSOJGSA-N	-2	0	471.514	1.568	1	0		JDAFRL
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@H](COP(=O)([O-])[O-])O2)cc1-c1ccc(OCc2ccccc2)cc1	ZINC000036350156	581098173	/nfs/dbraw/zinc/09/81/73/581098173.db2.gz	WBQVPNGHCJTSSK-SLFFLAALSA-N	-2	0	490.405	1.540	1	0		JDAFRL
C[C@@H](O)[C@@H]1C(=O)N2C(C(=O)[O-])=C(S[C@@H]3N[C@H](C(=O)Nc4cccc(C(=O)[O-])c4)CS3)[C@@H](C)[C@H]12	ZINC000004102291	560196792	/nfs/dbraw/zinc/19/67/92/560196792.db2.gz	WQQHQJCEAFGLEA-PFZNAWCISA-N	-2	0	493.563	1.199	1	0	in-vitro	JDAFRL
C[C@@H](O)[C@@H]1C(=O)N2C(C(=O)[O-])=C(S[C@@H]3N[C@H](C(=O)Nc4cccc(C(=O)[O-])c4)CS3)[C@H](C)[C@H]12	ZINC000004102290	560196812	/nfs/dbraw/zinc/19/68/12/560196812.db2.gz	WQQHQJCEAFGLEA-CPSNGQPXSA-N	-2	0	493.563	1.199	1	0	in-vitro	JDAFRL
Cc1cc(CCCSc2c(N)[nH]c(N)nc2=O)sc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000001539232	562920786	/nfs/dbraw/zinc/92/07/86/562920786.db2.gz	QSMJJFQXDNSFGZ-JTQLQIEISA-N	-2	0	469.545	1.077	1	0		JDAFRL
Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])sc1CCCSc1c(N)[nH]c(N)nc1=O	ZINC000001539233	562920803	/nfs/dbraw/zinc/92/08/03/562920803.db2.gz	RPXDQPDLDPKBHG-VIFPVBQESA-N	-2	0	469.545	1.077	1	0		JDAFRL
CCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000001573236	562921513	/nfs/dbraw/zinc/92/15/13/562921513.db2.gz	OXKVXUQXNRYHMZ-OAHLLOKOSA-N	-2	0	482.501	1.049	1	0		JDAFRL
Nc1nc(N)c2cc(CNc3ccc(C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c(Cl)c3)ccc2n1	ZINC000001720960	562923266	/nfs/dbraw/zinc/92/32/66/562923266.db2.gz	CEUFDEOPWBBLCY-HNNXBMFYSA-N	-2	0	458.862	1.717	1	0		JDAFRL
Cc1nc2nc(N)nc(N)c2cc1CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000001915184	562924254	/nfs/dbraw/zinc/92/42/54/562924254.db2.gz	QGMRDFWXSGQBNZ-HNNXBMFYSA-N	-2	0	453.459	1.158	1	0		JDAFRL
Cc1nc2nc(N)nc(N)c2c(C)c1CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000001915179	562924262	/nfs/dbraw/zinc/92/42/62/562924262.db2.gz	FHARHFUHOUWOHC-HNNXBMFYSA-N	-2	0	467.486	1.466	1	0		JDAFRL
O=C([O-])Cc1csc(SC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cc4ccccc4)[C@H]3SC2)n1	ZINC000003952953	562930820	/nfs/dbraw/zinc/93/08/20/562930820.db2.gz	SBSVFOXPBRJHRO-CRAIPNDOSA-N	-2	0	491.572	1.801	1	0		JDAFRL
Nc1nc2ccc(CN(C=O)c3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000005373985	562933954	/nfs/dbraw/zinc/93/39/54/562933954.db2.gz	QHUBQNFYSLRYQG-QGZVFWFLSA-N	-2	0	467.438	1.128	1	0		JDAFRL
Nc1nc(=O)c2c([nH]1)NC[C@H](CCc1cccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1)S2	ZINC000008536421	562939576	/nfs/dbraw/zinc/93/95/76/562939576.db2.gz	KWZIRHHWDJUWDQ-STQMWFEESA-N	-2	0	461.500	1.331	1	0		JDAFRL
Nc1nc(N)c2c(ncc3c2CC[C@@H](c2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)C3)n1	ZINC000013448336	562964506	/nfs/dbraw/zinc/96/45/06/562964506.db2.gz	TWQHKMFGGWXDNM-CJNGLKHVSA-N	-2	0	464.482	1.510	1	0		JDAFRL
O=C([O-])CN/N=c1\n(Cc2ccc(Br)cc2F)c2ccccc2n1C(=O)C(=O)[O-]	ZINC000013470526	562965320	/nfs/dbraw/zinc/96/53/20/562965320.db2.gz	UKVZTDNCEQKKKO-RELWKKBWSA-N	-2	0	465.235	1.607	1	0		JDAFRL
CCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)[O-])c(C(=O)[O-])c1)NC(=O)CCC(=O)[O-]	ZINC000013472226	562965723	/nfs/dbraw/zinc/96/57/23/562965723.db2.gz	JSRCWCUPTJIRIO-HNNXBMFYSA-N	-3	0	452.460	1.047	1	0		JDAFRL
CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)CCCC(=O)[O-]	ZINC000013472233	562965747	/nfs/dbraw/zinc/96/57/47/562965747.db2.gz	HBNJXZXNJTUGGD-INIZCTEOSA-N	-3	0	466.487	1.192	1	0		JDAFRL
CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)CC(C)(C)CC(=O)[O-]	ZINC000013472236	562965808	/nfs/dbraw/zinc/96/58/08/562965808.db2.gz	AQDPBKLQIJCBBZ-KRWDZBQOSA-N	-3	0	494.541	1.828	1	0		JDAFRL
Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(CC(=O)[O-])c3ccccc32)n1	ZINC000013561042	562975573	/nfs/dbraw/zinc/97/55/73/562975573.db2.gz	JKNAAXSOIGHTLX-RDGATRHJSA-N	-2	0	476.489	1.890	1	0		JDAFRL
Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(F)c1	ZINC000013586663	562976830	/nfs/dbraw/zinc/97/68/30/562976830.db2.gz	LTCOTSRHIWKZTK-NSHDSACASA-N	-2	0	463.447	1.480	1	0		JDAFRL
CCN(Cc1ccc2nc[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000013820649	562997583	/nfs/dbraw/zinc/99/75/83/562997583.db2.gz	BCAXXUAMVUQADK-IBGZPJMESA-N	-2	0	452.467	1.997	1	0		JDAFRL
Cc1nc2ccc(N(C)Cc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=O)[nH]1	ZINC000013822813	562997895	/nfs/dbraw/zinc/99/78/95/562997895.db2.gz	VGWZCGMVSMQUMB-INIZCTEOSA-N	-2	0	458.496	1.977	1	0		JDAFRL
Cc1ccc2[nH]c(Cc3nc4ccc(C(=O)N[C@H](C[P@@](=O)([O-])O)C(=O)[O-])cc4n3C)nc2c1	ZINC000013860247	563001917	/nfs/dbraw/zinc/00/19/17/563001917.db2.gz	WOXDRIMKYIYZMA-MRXNPFEDSA-N	-2	0	471.410	1.710	1	0		JDAFRL
Cn1c(Cc2nc3c(cc(F)cc3F)[nH]2)nc2ccc(C(=O)N[C@H](C[P@@](=O)([O-])O)C(=O)[O-])cc21	ZINC000013860239	563001926	/nfs/dbraw/zinc/00/19/26/563001926.db2.gz	JNVHPQXRSAIPSE-CQSZACIVSA-N	-2	0	493.363	1.679	1	0		JDAFRL
Cn1c2cc(C(=O)N[C@H](C[P@@](=O)([O-])O)C(=O)[O-])ccc2nc1[C@H](F)c1nc2ccccc2[nH]1	ZINC000013860258	563002108	/nfs/dbraw/zinc/00/21/08/563002108.db2.gz	CBYKXMCQCUOUOF-GDBMZVCRSA-N	-2	0	475.373	1.869	1	0		JDAFRL
Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(C(=O)N[C@H](C[P@@](=O)([O-])O)C(=O)[O-])cc21	ZINC000013860270	563002113	/nfs/dbraw/zinc/00/21/13/563002113.db2.gz	UQQBDSFNEOSSDH-OAHLLOKOSA-N	-2	0	457.383	1.401	1	0		JDAFRL
CNc1nc(Cl)nc2c1ncn2C[C@@H](COP(=O)([O-])[O-])COP(=O)(OC)OC	ZINC000013864019	563003767	/nfs/dbraw/zinc/00/37/67/563003767.db2.gz	VXJKJEPLVWDJDH-QMMMGPOBSA-N	-2	0	459.720	1.664	1	0		JDAFRL
COc1ccc(-c2cc(=O)c3c([O-])cc(OS(=O)(=O)[O-])cc3o2)cc1OS(=O)(=O)[O-]	ZINC000014813762	563006366	/nfs/dbraw/zinc/00/63/66/563006366.db2.gz	CORCXFALGZLUGA-UHFFFAOYSA-N	-3	0	460.394	1.537	1	0		JDAFRL
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@H](CCCCC(=O)[O-])C(=O)[O-])cc3)cnc2n1	ZINC000017060267	563013497	/nfs/dbraw/zinc/01/34/97/563013497.db2.gz	BEEXXHBYJPWAHE-CQSZACIVSA-N	-2	0	468.474	1.024	1	0		JDAFRL
CN(Cc1ccc2nc(N)nc(N)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000017423997	563014106	/nfs/dbraw/zinc/01/41/06/563014106.db2.gz	GVCHCLIZELWQCL-KRWDZBQOSA-N	-2	0	452.471	1.478	1	0		JDAFRL
Nc1nc(N)c2cc(N(C=O)Cc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)ccc2n1	ZINC000026269925	563025070	/nfs/dbraw/zinc/02/50/70/563025070.db2.gz	RUGCGRLQNAZXOP-QGZVFWFLSA-N	-2	0	466.454	1.005	1	0		JDAFRL
CC(=O)CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026834518	563036471	/nfs/dbraw/zinc/03/64/71/563036471.db2.gz	DGXVTJUIIXAVRK-NRFANRHFSA-N	-2	0	494.504	1.875	1	0		JDAFRL
CCN(Cc1ccc2nc(CO)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026835213	563036570	/nfs/dbraw/zinc/03/65/70/563036570.db2.gz	LAESGVNRTUJYLC-IBGZPJMESA-N	-2	0	482.493	1.490	1	0		JDAFRL
CC[C@H](Cc1cnc2nc(N)nc(N)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026980024	563038567	/nfs/dbraw/zinc/03/85/67/563038567.db2.gz	ITEWLRHMISZGLU-CXAGYDPISA-N	-2	0	466.498	1.973	1	0		JDAFRL
COc1nc2ccc(CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000027652877	563048832	/nfs/dbraw/zinc/04/88/32/563048832.db2.gz	RSACZKLZAVXXLS-QGZVFWFLSA-N	-2	0	454.439	1.592	1	0		JDAFRL
C[C@](CCC(=O)[O-])(NC(=O)c1ccc(CC[C@H]2CNc3nc(N)nc(N)c3C2)cc1)C(=O)[O-]	ZINC000027864398	563052331	/nfs/dbraw/zinc/05/23/31/563052331.db2.gz	OTSGPZJZRLKKGY-MCMMXHMISA-N	-2	0	456.503	1.296	1	0		JDAFRL
N[C@H](C(=O)OCc1cc(=O)oc2cc(OCC(=O)[O-])ccc12)[C@H](OCc1ccccc1)C(=O)[O-]	ZINC000028107410	563056320	/nfs/dbraw/zinc/05/63/20/563056320.db2.gz	YLMXXTPWVQKARU-SFTDATJTSA-N	-2	0	471.418	1.297	1	0		JDAFRL
CCN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000028251169	563058902	/nfs/dbraw/zinc/05/89/02/563058902.db2.gz	QJODZQWWCMYPFD-GOSISDBHSA-N	-2	0	467.482	1.580	1	0		JDAFRL
CCN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000028251162	563058964	/nfs/dbraw/zinc/05/89/64/563058964.db2.gz	QJODZQWWCMYPFD-SFHVURJKSA-N	-2	0	467.482	1.580	1	0		JDAFRL
Nc1nc2ccc(CN(CC3CC3)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000028252142	563059050	/nfs/dbraw/zinc/05/90/50/563059050.db2.gz	LDCZYGRQUFFFHE-FQEVSTJZSA-N	-2	0	493.520	1.970	1	0		JDAFRL
C[C@@H](Cc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC1=Nc2c(nc(N)[nH]c2=O)NC1	ZINC000028260700	563059388	/nfs/dbraw/zinc/05/93/88/563059388.db2.gz	BLLHPJWVVWYMOU-NHYWBVRUSA-N	-2	0	470.486	1.167	1	0		JDAFRL
C[C@H](Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC1=Nc2c(nc(N)[nH]c2=O)NC1	ZINC000028260706	563059405	/nfs/dbraw/zinc/05/94/05/563059405.db2.gz	BLLHPJWVVWYMOU-IAQYHMDHSA-N	-2	0	470.486	1.167	1	0		JDAFRL
Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000028460930	563064465	/nfs/dbraw/zinc/06/44/65/563064465.db2.gz	CEPQCJFDTGQKDN-INIZCTEOSA-N	-2	0	455.471	1.447	1	0	in-vitro	JDAFRL
Nc1nc2ccc(CCNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)nc2c(=O)[nH]1	ZINC000029321721	563100262	/nfs/dbraw/zinc/10/02/62/563100262.db2.gz	NHMPJFQQAWJNNS-HNNXBMFYSA-N	-2	0	454.443	1.015	1	0		JDAFRL
CCCCCNC(=O)[C@@H](Cc1ccc(OCC(=O)[O-])c(C(C)=O)c1)NC(=O)CCC(=O)[O-]	ZINC000029477470	563105027	/nfs/dbraw/zinc/10/50/27/563105027.db2.gz	YUBYZAXZPRUNBZ-QGZVFWFLSA-N	-2	0	450.488	1.551	1	0		JDAFRL
COC(=O)C(Cc1ccc(NS(=O)(=O)[O-])cc1)(Cc1ccc(C(=O)[O-])cc1)C(=O)OC	ZINC000036179193	563123666	/nfs/dbraw/zinc/12/36/66/563123666.db2.gz	JDKIXOVKFZCQBY-UHFFFAOYSA-N	-2	0	451.453	1.717	1	0		JDAFRL
O=C([O-])CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Nc1ccc(F)cc1)C(=O)[O-])C(=O)[O-]	ZINC000040834860	563148958	/nfs/dbraw/zinc/14/89/58/563148958.db2.gz	HZZHYOBNLVRPHH-KBPBESRZSA-N	-3	0	456.427	1.188	1	0		JDAFRL
NC(=O)[C@@H]1Cc2cccc3c2N1C(=O)[C@@H](NC(=O)/C=C/c1ccc(OP(=O)([O-])[O-])cc1)CC3	ZINC000040918581	563156402	/nfs/dbraw/zinc/15/64/02/563156402.db2.gz	UECRKCWZGHOARV-DVUPZSMESA-N	-2	0	471.406	1.046	1	0		JDAFRL
Nc1nc2[nH]c(CCCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000040979841	563162384	/nfs/dbraw/zinc/16/23/84/563162384.db2.gz	VGLCUJLZYVTUKW-KRWDZBQOSA-N	-2	0	469.498	1.837	1	0		JDAFRL
CC[C@H]1c2c(=O)nc(N)[nH]c2NC[C@H]1CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026263023	581097495	/nfs/dbraw/zinc/09/74/95/581097495.db2.gz	GOKSNIJPDRLOBQ-OAGGEKHMSA-N	-2	0	471.514	1.568	1	0		JDAFRL
CC[C@@H]1c2c(=O)nc(N)[nH]c2NC[C@H]1CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000261102003	581097536	/nfs/dbraw/zinc/09/75/36/581097536.db2.gz	GOKSNIJPDRLOBQ-OWCLPIDISA-N	-2	0	471.514	1.980	1	0		JDAFRL
C[C@H]1c2c(=O)nc(N)[nH]c2NC[C@@H]1CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026258154	581097750	/nfs/dbraw/zinc/09/77/50/581097750.db2.gz	CJYJOFHMOJCKDH-UGFHNGPFSA-N	-2	0	457.487	1.178	1	0		JDAFRL
CC[C@@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s1	ZINC000001537970	562920659	/nfs/dbraw/zinc/92/06/59/562920659.db2.gz	GEHSFAONYUHADA-ONGXEEELSA-N	-2	0	473.515	1.430	1	0		JDAFRL
O=C([O-])C(=O)Nc1sc2c(c1C(=O)[O-])CCO[C@H]2COC1=NS(=O)(=O)c2ccccc21	ZINC000001550590	562921197	/nfs/dbraw/zinc/92/11/97/562921197.db2.gz	MDYIGSPVMWSFEZ-JTQLQIEISA-N	-2	0	466.449	1.249	1	0	in-vivo	JDAFRL
Nc1nc2ncc(SCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000001658936	562922894	/nfs/dbraw/zinc/92/28/94/562922894.db2.gz	DCYDHFXMHVUOJO-AWEZNQCLSA-N	-2	0	457.468	1.240	1	0		JDAFRL
Nc1nc(=O)c2c([nH]1)NC[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s1)S2	ZINC000008642282	562948415	/nfs/dbraw/zinc/94/84/15/562948415.db2.gz	HHKAOUMVRGSKLS-ZJUUUORDSA-N	-2	0	467.529	1.393	1	0		JDAFRL
C[C@H](Cc1cnc2nc(N)nc(N)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000013448328	562964463	/nfs/dbraw/zinc/96/44/63/562964463.db2.gz	IBBJCSZQBBGNDY-BZNIZROVSA-N	-2	0	452.471	1.583	1	0		JDAFRL
Nc1nc(N)c2c(ncc3c2CC[C@H](c2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)C3)n1	ZINC000013448339	562964488	/nfs/dbraw/zinc/96/44/88/562964488.db2.gz	TWQHKMFGGWXDNM-BBRMVZONSA-N	-2	0	464.482	1.510	1	0		JDAFRL
O=C([O-])CCC(=O)N[C@@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)C(=O)NCC1CCCCC1	ZINC000013472244	562965798	/nfs/dbraw/zinc/96/57/98/562965798.db2.gz	AJQFFFKWAVIIDK-KRWDZBQOSA-N	-3	0	478.498	1.192	1	0		JDAFRL
CCCSc1nc2c(ncn2[C@H]2C[C@H](OP(=O)([O-])[O-])[C@@H](COP(=O)([O-])[O-])O2)c(NC)n1	ZINC000013797156	562993322	/nfs/dbraw/zinc/99/33/22/562993322.db2.gz	HHKPIONLVLWICK-IVZWLZJFSA-N	-4	0	499.379	1.245	1	0		JDAFRL
Cc1nc2ccc(CN(CCF)c3cnc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=O)[nH]1	ZINC000013821848	562997780	/nfs/dbraw/zinc/99/77/80/562997780.db2.gz	XDMPWFIRJMHUKW-HNNXBMFYSA-N	-2	0	491.501	1.712	1	0		JDAFRL
Cc1nc2ccc(N(C)Cc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000013822807	562997914	/nfs/dbraw/zinc/99/79/14/562997914.db2.gz	ROWWLMPPVFHRBH-IBGZPJMESA-N	-2	0	452.467	1.916	1	0		JDAFRL
Cn1c(Cc2nc3cc(F)ccc3[nH]2)nc2ccc(C(=O)N[C@@H](C[P@@](=O)([O-])O)C(=O)[O-])cc21	ZINC000013860233	563001932	/nfs/dbraw/zinc/00/19/32/563001932.db2.gz	MONOMEPHEGXJGU-HNNXBMFYSA-N	-2	0	475.373	1.540	1	0		JDAFRL
Cn1c(Cc2nc3c(ccc(F)c3F)[nH]2)nc2ccc(C(=O)N[C@H](C[P@@](=O)([O-])O)C(=O)[O-])cc21	ZINC000013860241	563001951	/nfs/dbraw/zinc/00/19/51/563001951.db2.gz	CONRXXQNDSIPIL-CYBMUJFWSA-N	-2	0	493.363	1.679	1	0		JDAFRL
Cn1c(Cc2nc3cc(F)c(F)cc3[nH]2)nc2ccc(C(=O)N[C@H](C[P@@](=O)([O-])O)C(=O)[O-])cc21	ZINC000013860237	563001973	/nfs/dbraw/zinc/00/19/73/563001973.db2.gz	LJWMMWDVXSIMLZ-OAHLLOKOSA-N	-2	0	493.363	1.679	1	0		JDAFRL
Cn1c(Cc2nc3cc(F)c(F)cc3[nH]2)nc2ccc(C(=O)N[C@@H](C[P@@](=O)([O-])O)C(=O)[O-])cc21	ZINC000013860236	563001992	/nfs/dbraw/zinc/00/19/92/563001992.db2.gz	LJWMMWDVXSIMLZ-HNNXBMFYSA-N	-2	0	493.363	1.679	1	0		JDAFRL
Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(C(=O)N[C@@H](C[P@@](=O)([O-])O)C(=O)[O-])cc21	ZINC000013860269	563002055	/nfs/dbraw/zinc/00/20/55/563002055.db2.gz	UQQBDSFNEOSSDH-HNNXBMFYSA-N	-2	0	457.383	1.401	1	0		JDAFRL
CC[C@H](CC1=Nc2c(N)nc(N)nc2NC1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026002873	563021395	/nfs/dbraw/zinc/02/13/95/563021395.db2.gz	UWJVCMUANRKMFF-IAQYHMDHSA-N	-2	0	469.502	1.771	1	0		JDAFRL
CC[C@H](C[C@@H]1CNc2nc(N)nc(N)c2N1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026005518	563021463	/nfs/dbraw/zinc/02/14/63/563021463.db2.gz	BPVKTBUBZOBDHE-DFBGVHRSSA-N	-2	0	471.518	1.479	1	0		JDAFRL
Cc1c(CN(C)c2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)cnc2nc(N)[nH]c(=O)c12	ZINC000026017303	563021871	/nfs/dbraw/zinc/02/18/71/563021871.db2.gz	WENVMKCBNUSGID-OAHLLOKOSA-N	-2	0	468.470	1.305	1	0		JDAFRL
Cc1c(CN(C)c2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)cnc2nc(N)[nH]c(=O)c12	ZINC000026017296	563021875	/nfs/dbraw/zinc/02/18/75/563021875.db2.gz	WENVMKCBNUSGID-HNNXBMFYSA-N	-2	0	468.470	1.305	1	0		JDAFRL
Cc1c(CNc2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)cnc2nc(N)[nH]c(=O)c12	ZINC000026023678	563022051	/nfs/dbraw/zinc/02/20/51/563022051.db2.gz	HAPDCNOZACJNHT-CQSZACIVSA-N	-2	0	454.443	1.281	1	0		JDAFRL
CN(Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)c1ccc2nc(N)nc(N)c2c1	ZINC000026189966	563024297	/nfs/dbraw/zinc/02/42/97/563024297.db2.gz	MBAXRIPJWOAPEZ-QGZVFWFLSA-N	-2	0	452.471	1.478	1	0		JDAFRL
CC[C@@H](Cc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)c1cnc2nc(N)nc(N)c2n1	ZINC000026258443	563024671	/nfs/dbraw/zinc/02/46/71/563024671.db2.gz	BRBJBKGSGUBGLP-JSGCOSHPSA-N	-2	0	467.486	1.368	1	0		JDAFRL
CN(Cc1ccc2nc(C=O)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s1	ZINC000026268133	563025004	/nfs/dbraw/zinc/02/50/04/563025004.db2.gz	MIKSAYINZWGURL-AWEZNQCLSA-N	-2	0	472.479	1.481	1	0		JDAFRL
Cc1c(CCc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)cnc2nc(N)nc(N)c12	ZINC000026275189	563025207	/nfs/dbraw/zinc/02/52/07/563025207.db2.gz	VZPGIYJALNDTGL-HNNXBMFYSA-N	-2	0	452.471	1.331	1	0		JDAFRL
CCO[P@](=O)([O-])N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)[O-])[C@@H](C)CC	ZINC000026649600	563031978	/nfs/dbraw/zinc/03/19/78/563031978.db2.gz	FBXHTRSMLPINRI-IXDGSTSKSA-N	-2	0	482.474	1.537	1	0		JDAFRL
CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)NCc1cccc(NC(N)=O)c1	ZINC000026717391	563033683	/nfs/dbraw/zinc/03/36/83/563033683.db2.gz	VJCSXAUENNDTNJ-KRWDZBQOSA-N	-2	0	450.388	1.012	1	0		JDAFRL
CC[C@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s1	ZINC000027210871	563042016	/nfs/dbraw/zinc/04/20/16/563042016.db2.gz	GEHSFAONYUHADA-MWLCHTKSSA-N	-2	0	473.515	1.430	1	0		JDAFRL
Cc1c(CNc2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s2)cnc2nc(N)nc(N)c12	ZINC000027305627	563042401	/nfs/dbraw/zinc/04/24/01/563042401.db2.gz	SUWFGMIUXUVQEV-SNVBAGLBSA-N	-2	0	459.488	1.219	1	0		JDAFRL
Nc1nc(N)c2cc(CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c4c3CCCC4)cnc2n1	ZINC000027412619	563043510	/nfs/dbraw/zinc/04/35/10/563043510.db2.gz	NUNLGRUYHXNVGH-GOSISDBHSA-N	-2	0	493.524	1.728	1	0		JDAFRL
Nc1cc2c(c(=O)[nH]1)C[C@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CCN2	ZINC000027522510	563045120	/nfs/dbraw/zinc/04/51/20/563045120.db2.gz	OYZJAEQJHDLZOE-PBHICJAKSA-N	-2	0	456.499	1.612	1	0		JDAFRL
C[C@H](CC[C@@H]1CNc2nc(N)nc(N)c21)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027629817	563047510	/nfs/dbraw/zinc/04/75/10/563047510.db2.gz	QKDOCKAXPOPXJW-KCPJHIHWSA-N	-2	0	456.503	1.782	1	0		JDAFRL
CCCCCNC(=O)[C@@H](Cc1ccc(O/C(=C/C(=O)[O-])C(=O)[O-])cc1)NC(=O)CCC(=O)[O-]	ZINC000027708801	563049621	/nfs/dbraw/zinc/04/96/21/563049621.db2.gz	ZPRUFKVRBMDPEA-VAFHRPCXSA-N	-3	0	464.471	1.317	1	0		JDAFRL
CC(C)(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000028234487	563058415	/nfs/dbraw/zinc/05/84/15/563058415.db2.gz	UNDZSJQMMOCFIZ-AWEZNQCLSA-N	-2	0	467.486	1.152	1	0		JDAFRL
C[C@@H](Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC1=Nc2c(nc(N)[nH]c2=O)NC1	ZINC000028260712	563059447	/nfs/dbraw/zinc/05/94/47/563059447.db2.gz	BLLHPJWVVWYMOU-XHDPSFHLSA-N	-2	0	470.486	1.167	1	0		JDAFRL
CC(C)(CN1CN(CC(=O)[O-])CSC1=S)CN1CN(CC(=O)[O-])CSC1=S	ZINC000028569942	563070606	/nfs/dbraw/zinc/07/06/06/563070606.db2.gz	ZQTSIDCSRDZJCZ-UHFFFAOYSA-N	-2	0	452.649	1.283	1	0		JDAFRL
Nc1nc2c(c(=O)[nH]1)N[C@H](CCNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000029318464	563100081	/nfs/dbraw/zinc/10/00/81/563100081.db2.gz	KWOGIKPULGQYDN-DZGCQCFKSA-N	-2	0	458.475	1.041	1	0		JDAFRL
CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1nnc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s1	ZINC000029346432	563101361	/nfs/dbraw/zinc/10/13/61/563101361.db2.gz	XKJRUIAEMMMVAC-CQSZACIVSA-N	-2	0	474.499	1.570	1	0		JDAFRL
CS[C@H](CCCc1c(N)[nH]c(N)nc1=O)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000040835251	563148951	/nfs/dbraw/zinc/14/89/51/563148951.db2.gz	GEZLAVXTPLTVRU-LSDHHAIUSA-N	-2	0	477.543	1.409	1	0	in-vitro	JDAFRL
Cc1cccc(S(=O)(=O)[N-]C(=O)NCCCCNC(=O)[N-]S(=O)(=O)c2cccc(C)c2)c1	ZINC000040860054	563149834	/nfs/dbraw/zinc/14/98/34/563149834.db2.gz	OYSZHTIOWMAWFU-UHFFFAOYSA-N	-2	0	482.584	1.760	1	0		JDAFRL
Nc1nc(Cl)nc2c1ncn2CCCCO[P@@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-]	ZINC000043071582	563166317	/nfs/dbraw/zinc/16/63/17/563166317.db2.gz	HTMMINNXGBIHFM-UHFFFAOYSA-N	-4	0	481.619	1.185	1	0		JDAFRL
CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)Nc4ccc(C(=O)[O-])cc4)CC3)nc21	ZINC000045245580	563181686	/nfs/dbraw/zinc/18/16/86/563181686.db2.gz	GHHZUAIBQWHGDP-UHFFFAOYSA-N	-2	0	482.522	1.727	1	0		JDAFRL
Nc1nc2sc(CCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000045498773	563196314	/nfs/dbraw/zinc/19/63/14/563196314.db2.gz	JPNVUHMAMNATQU-HNNXBMFYSA-N	-2	0	458.496	1.790	1	0		JDAFRL
C[C@H](Nc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000053151200	563205095	/nfs/dbraw/zinc/20/50/95/563205095.db2.gz	RPRLFYWSPUCFEU-APPDUMDISA-N	-2	0	453.455	1.726	1	0		JDAFRL
C[C@@H](Nc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000053151201	563205112	/nfs/dbraw/zinc/20/51/12/563205112.db2.gz	RPRLFYWSPUCFEU-PIGZYNQJSA-N	-2	0	453.455	1.726	1	0		JDAFRL
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)cc1-c1ccc(OCc2ccccc2)cc1	ZINC000169320531	581098132	/nfs/dbraw/zinc/09/81/32/581098132.db2.gz	WBQVPNGHCJTSSK-XUVXKRRUSA-N	-2	0	490.405	1.540	1	0		JDAFRL
Nc1cc2c(c(=O)[nH]1)C[C@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CCN2	ZINC000027522514	581100084	/nfs/dbraw/zinc/10/00/84/581100084.db2.gz	OYZJAEQJHDLZOE-RHSMWYFYSA-N	-2	0	456.499	1.612	1	0		JDAFRL
C[C@@H](O)[C@@H]1C(=O)N2C(C(=O)[O-])=C(S[C@@H]3N[C@H](C(=O)Nc4cccc(C(=O)[O-])c4)CS3)[C@@H](C)[C@@H]12	ZINC000004102293	560196800	/nfs/dbraw/zinc/19/68/00/560196800.db2.gz	WQQHQJCEAFGLEA-CJQDGXAHSA-N	-2	0	493.563	1.199	1	0	in-vitro	JDAFRL
C[C@H](N[C@H](C(=O)[O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000003814175	562928835	/nfs/dbraw/zinc/92/88/35/562928835.db2.gz	LLFFWZDDRVOVRS-FIRPJDEBSA-N	-2	0	467.522	1.535	1	0		JDAFRL
Nc1nc(=O)c2c([nH]1)NC[C@@H](CCc1cccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1)S2	ZINC000008536420	562939573	/nfs/dbraw/zinc/93/95/73/562939573.db2.gz	KWZIRHHWDJUWDQ-OLZOCXBDSA-N	-2	0	461.500	1.331	1	0		JDAFRL
CC(C)C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(=O)[O-]	ZINC000012473100	562960075	/nfs/dbraw/zinc/96/00/75/562960075.db2.gz	GCTBLAXQLHDUDZ-KBPBESRZSA-N	-2	0	464.562	1.242	3	0		JDAFRL
CC(C)[C@@H](C(=O)[O-])N(Cc1cccc(CN([C@H](C(=O)[O-])C(C)C)S(C)(=O)=O)c1)S(C)(=O)=O	ZINC000012472527	562960094	/nfs/dbraw/zinc/96/00/94/562960094.db2.gz	BXPHEHKWKPUDGF-ROUUACIJSA-N	-2	0	492.616	1.428	3	0		JDAFRL
CC(C)C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(=O)[O-]	ZINC000012473103	562960098	/nfs/dbraw/zinc/96/00/98/562960098.db2.gz	GCTBLAXQLHDUDZ-ZIAGYGMSSA-N	-2	0	464.562	1.242	3	0		JDAFRL
CC[C@H](Cc1cnc2nc(N)nc(N)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000013448333	562964490	/nfs/dbraw/zinc/96/44/90/562964490.db2.gz	ITEWLRHMISZGLU-DYVFJYSZSA-N	-2	0	466.498	1.973	1	0		JDAFRL
CCCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)CCC(=O)[O-]	ZINC000013472242	562965815	/nfs/dbraw/zinc/96/58/15/562965815.db2.gz	LLGYHAVCRRVVNF-INIZCTEOSA-N	-3	0	466.487	1.192	1	0		JDAFRL
CCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)[O-])c(C(C)=O)c1)NC(=O)CCC(=O)[O-]	ZINC000013473179	562966151	/nfs/dbraw/zinc/96/61/51/562966151.db2.gz	YUBYZAXZPRUNBZ-KRWDZBQOSA-N	-2	0	450.488	1.551	1	0		JDAFRL
Cc1cc(-n2ncc(=O)[n-]c2=O)cc(Cl)c1Oc1ccc([O-])c(S(=O)(=O)N2CCOCC2)c1	ZINC000013487252	562967672	/nfs/dbraw/zinc/96/76/72/562967672.db2.gz	HMWYFBZWNFUGKI-UHFFFAOYSA-N	-2	0	494.913	1.401	1	0		JDAFRL
Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(Cl)c1	ZINC000013586664	562976802	/nfs/dbraw/zinc/97/68/02/562976802.db2.gz	DTVBRZFMWHDIOO-NSHDSACASA-N	-2	0	479.902	1.994	1	0	in-vitro	JDAFRL
CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ncc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s1	ZINC000013821854	562997776	/nfs/dbraw/zinc/99/77/76/562997776.db2.gz	XXANSTYFSHIUSU-HNNXBMFYSA-N	-2	0	473.511	1.762	1	0		JDAFRL
Cc1nc2ccc(CN(CCO)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=O)[nH]1	ZINC000013821831	562997799	/nfs/dbraw/zinc/99/77/99/562997799.db2.gz	PQDODGYVNZOBOU-INIZCTEOSA-N	-2	0	488.522	1.340	1	0		JDAFRL
CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])nc1	ZINC000013821862	562997842	/nfs/dbraw/zinc/99/78/42/562997842.db2.gz	RMYZAXPSPBYHQM-IBGZPJMESA-N	-2	0	467.482	1.701	1	0		JDAFRL
C[C@@H](c1nc2ccccc2[nH]1)c1nc2cccc(C(=O)N[C@H](C[P@@](=O)([O-])O)C(=O)[O-])c2n1C	ZINC000013860223	563001900	/nfs/dbraw/zinc/00/19/00/563001900.db2.gz	FESQCMADYYULGP-MEDUHNTESA-N	-2	0	471.410	1.962	1	0		JDAFRL
COc1cccc2[nH]c(Cc3nc4ccc(C(=O)N[C@H](C[P@@](=O)([O-])O)C(=O)[O-])cc4n3C)nc21	ZINC000013860254	563001940	/nfs/dbraw/zinc/00/19/40/563001940.db2.gz	KZHDFEYBWTZJGE-CQSZACIVSA-N	-2	0	487.409	1.410	1	0		JDAFRL
Cn1c2cc(C(=O)N[C@@H](C[P@@](=O)([O-])O)C(=O)[O-])ccc2nc1[C@@H](F)c1nc2ccccc2[nH]1	ZINC000013860255	563001989	/nfs/dbraw/zinc/00/19/89/563001989.db2.gz	CBYKXMCQCUOUOF-HOCLYGCPSA-N	-2	0	475.373	1.869	1	0		JDAFRL
Cn1c2cc(C(=O)N[C@@H](C[P@@](=O)([O-])O)C(=O)[O-])ccc2nc1[C@H](F)c1nc2ccccc2[nH]1	ZINC000013860256	563002093	/nfs/dbraw/zinc/00/20/93/563002093.db2.gz	CBYKXMCQCUOUOF-GOEBONIOSA-N	-2	0	475.373	1.869	1	0		JDAFRL
CC(=O)N[C@@H](CCC(=O)[O-])C(=O)N1CCC[C@@H]1[P@](=O)([O-])C[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000014976203	563010352	/nfs/dbraw/zinc/01/03/52/563010352.db2.gz	AVTQWUVBZKERFJ-SQNIBIBYSA-N	-3	0	468.443	1.518	1	0		JDAFRL
CCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000017125093	563013470	/nfs/dbraw/zinc/01/34/70/563013470.db2.gz	OXKVXUQXNRYHMZ-HNNXBMFYSA-N	-2	0	482.501	1.049	1	0		JDAFRL
CC[C@H](Cc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)c1cnc2nc(N)nc(N)c2n1	ZINC000026258451	563024691	/nfs/dbraw/zinc/02/46/91/563024691.db2.gz	BRBJBKGSGUBGLP-OCCSQVGLSA-N	-2	0	467.486	1.368	1	0		JDAFRL
Cc1c(CCc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)cnc2nc(N)[nH]c(=O)c12	ZINC000026259043	563024723	/nfs/dbraw/zinc/02/47/23/563024723.db2.gz	MVGRHDQQJXAAAZ-HNNXBMFYSA-N	-2	0	453.455	1.042	1	0		JDAFRL
CC[C@@H]1c2c(=O)nc(N)[nH]c2NC[C@@H]1CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026263017	563024759	/nfs/dbraw/zinc/02/47/59/563024759.db2.gz	GOKSNIJPDRLOBQ-JYJNAYRXSA-N	-2	0	471.514	1.568	1	0		JDAFRL
CN(Cc1ccc2nc(C=O)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s1	ZINC000026268140	563024973	/nfs/dbraw/zinc/02/49/73/563024973.db2.gz	MIKSAYINZWGURL-CQSZACIVSA-N	-2	0	472.479	1.481	1	0		JDAFRL
CCC[C@@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026376327	563026153	/nfs/dbraw/zinc/02/61/53/563026153.db2.gz	VIBFQIZOMPFURO-GOEBONIOSA-N	-2	0	481.513	1.758	1	0		JDAFRL
CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(N)c1	ZINC000026828801	563036160	/nfs/dbraw/zinc/03/61/60/563036160.db2.gz	OMBICEMFCIHTGQ-FQEVSTJZSA-N	-2	0	481.509	1.888	1	0		JDAFRL
CN(Cc1ccc2nc(CO)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026835216	563036579	/nfs/dbraw/zinc/03/65/79/563036579.db2.gz	KYDGECOJEBVKCG-SFHVURJKSA-N	-2	0	468.466	1.100	1	0		JDAFRL
O=C([O-])C[C@@H]1Nc2ccc(C(=O)NCc3nc4ccccc4[nH]3)cc2CN(CC(=O)[O-])C1=O	ZINC000026941306	563037767	/nfs/dbraw/zinc/03/77/67/563037767.db2.gz	WNDWXDWEAFPJDS-KRWDZBQOSA-N	-2	0	451.439	1.175	1	0		JDAFRL
CC[C@@H](Cc1cnc2nc(N)nc(N)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026980019	563038535	/nfs/dbraw/zinc/03/85/35/563038535.db2.gz	ITEWLRHMISZGLU-SUMWQHHRSA-N	-2	0	466.498	1.973	1	0		JDAFRL
CC[C@@H](Cc1ccc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027210373	563041912	/nfs/dbraw/zinc/04/19/12/563041912.db2.gz	ODUVEXGYNIEOHD-SJCJKPOMSA-N	-2	0	466.498	1.973	1	0		JDAFRL
CC[C@H](Cc1ccc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027210377	563041929	/nfs/dbraw/zinc/04/19/29/563041929.db2.gz	ODUVEXGYNIEOHD-PXAZEXFGSA-N	-2	0	466.498	1.973	1	0		JDAFRL
C[C@H](Cc1ccc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027211457	563042047	/nfs/dbraw/zinc/04/20/47/563042047.db2.gz	GOFXWLAIFGDFSK-BDJLRTHQSA-N	-2	0	452.471	1.583	1	0		JDAFRL
CCc1c(CN(C)c2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)cnc2nc(N)nc(N)c21	ZINC000027298864	563042277	/nfs/dbraw/zinc/04/22/77/563042277.db2.gz	GIIGEKUDIQENBV-MRXNPFEDSA-N	-2	0	481.513	1.436	1	0		JDAFRL
Nc1nc(N)c2cc(COC(=O)Cc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)ccc2n1	ZINC000027299243	563042329	/nfs/dbraw/zinc/04/23/29/563042329.db2.gz	OKLPTNUPTIQKSK-KRWDZBQOSA-N	-2	0	481.465	1.128	1	0		JDAFRL
CCc1c(CNc2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)cnc2nc(N)nc(N)c21	ZINC000027302730	563042399	/nfs/dbraw/zinc/04/23/99/563042399.db2.gz	ZKQYYDSDLPDDIZ-OAHLLOKOSA-N	-2	0	467.486	1.412	1	0		JDAFRL
O=C([O-])CCNC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)S(=O)(=O)C[P@](=O)([O-])O	ZINC000027620827	563047272	/nfs/dbraw/zinc/04/72/72/563047272.db2.gz	KSMRYGYJCPJIEJ-QGZVFWFLSA-N	-2	0	455.425	1.406	1	0		JDAFRL
C[C@@H](CC[C@@H]1CNc2nc(N)nc(N)c21)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027629811	563047518	/nfs/dbraw/zinc/04/75/18/563047518.db2.gz	QKDOCKAXPOPXJW-NILFDRSVSA-N	-2	0	456.503	1.782	1	0		JDAFRL
CNc1nc(Cl)nc2c1ncn2[C@@H]1C[C@@H](OC(=O)NC(C)C)[C@@H](COP(=O)([O-])[O-])O1	ZINC000027639492	563048031	/nfs/dbraw/zinc/04/80/31/563048031.db2.gz	LBWNKEMQGZCSLS-BBBLOLIVSA-N	-2	0	464.803	1.421	1	0		JDAFRL
COc1nc2ccc(CN(C)c3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000027652505	563048799	/nfs/dbraw/zinc/04/87/99/563048799.db2.gz	IVCBLBWUFFKBKZ-GOSISDBHSA-N	-2	0	468.466	1.616	1	0		JDAFRL
COc1nc2ccc(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000027652873	563048816	/nfs/dbraw/zinc/04/88/16/563048816.db2.gz	RSACZKLZAVXXLS-KRWDZBQOSA-N	-2	0	454.439	1.592	1	0		JDAFRL
Nc1nc(N)c2nc(CCc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c4ccccc34)cnc2n1	ZINC000027704600	563049404	/nfs/dbraw/zinc/04/94/04/563049404.db2.gz	RKPAFBLIEGWLIF-QGZVFWFLSA-N	-2	0	489.492	1.570	1	0		JDAFRL
Nc1nc(N)c2c(ccc(CNc3ccc(C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc3)c2Cl)n1	ZINC000027703706	563049429	/nfs/dbraw/zinc/04/94/29/563049429.db2.gz	GWIBVUFMBFNYLT-ZDUSSCGKSA-N	-2	0	458.862	1.717	1	0		JDAFRL
Nc1nc(N)c2nc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c4ccccc34)cnc2n1	ZINC000027704595	563049432	/nfs/dbraw/zinc/04/94/32/563049432.db2.gz	RKPAFBLIEGWLIF-KRWDZBQOSA-N	-2	0	489.492	1.570	1	0		JDAFRL
O=C([O-])CCC(=O)N[C@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)C(=O)NCC1CCCCC1	ZINC000027706819	563049503	/nfs/dbraw/zinc/04/95/03/563049503.db2.gz	AJQFFFKWAVIIDK-QGZVFWFLSA-N	-3	0	478.498	1.192	1	0		JDAFRL
CCCCCNC(=O)[C@@H](Cc1ccc(O[C@@H](CC(=O)[O-])C(=O)[O-])cc1)NC(=O)CCC(=O)[O-]	ZINC000027708792	563049654	/nfs/dbraw/zinc/04/96/54/563049654.db2.gz	JQEOIKODJAHHEG-SJORKVTESA-N	-3	0	466.487	1.192	1	0		JDAFRL
CCCCCNC(=O)[C@@H](Cc1ccc(CC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)CCC(=O)[O-]	ZINC000027710201	563049744	/nfs/dbraw/zinc/04/97/44/563049744.db2.gz	YARZODACZZOYEL-QGZVFWFLSA-N	-3	0	450.488	1.213	1	0		JDAFRL
C[C@H](C[C@H]1CNc2[nH]c(N)nc(=O)c2C1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027740726	563050981	/nfs/dbraw/zinc/05/09/81/563050981.db2.gz	ISZMJIOSOYNEIB-HSMVNMDESA-N	-2	0	457.487	1.178	1	0		JDAFRL
CNc1nc(Cl)nc2c1ncn2[C@@H]1C[C@H](COP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])C1	ZINC000027857667	563052050	/nfs/dbraw/zinc/05/20/50/563052050.db2.gz	QYSNDGPKHBMLCN-BWZBUEFSSA-N	-4	0	457.704	1.060	1	0		JDAFRL
CCN(Cc1ccc2nc[nH]c(=O)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027981174	563053586	/nfs/dbraw/zinc/05/35/86/563053586.db2.gz	BCAXXUAMVUQADK-LJQANCHMSA-N	-2	0	452.467	1.997	1	0		JDAFRL
CC(C)N(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000028251186	563058977	/nfs/dbraw/zinc/05/89/77/563058977.db2.gz	YQXJETCJNPMXRD-LJQANCHMSA-N	-2	0	481.509	1.968	1	0		JDAFRL
Nc1nc2ccc(CN(CC3CC3)c3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000028252151	563059065	/nfs/dbraw/zinc/05/90/65/563059065.db2.gz	LDCZYGRQUFFFHE-HXUWFJFHSA-N	-2	0	493.520	1.970	1	0		JDAFRL
O=C([O-])CCCC(=O)N[C@H](CSCc1ccc(Br)cc1)C(=O)NCC(=O)[O-]	ZINC000029211327	563098624	/nfs/dbraw/zinc/09/86/24/563098624.db2.gz	YNOWLAGOASVJPR-CYBMUJFWSA-N	-2	0	461.334	1.623	1	0		JDAFRL
Nc1nc2c(c(=O)[nH]1)N[C@@H](CCNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000029318459	563100020	/nfs/dbraw/zinc/10/00/20/563100020.db2.gz	KWOGIKPULGQYDN-UKRRQHHQSA-N	-2	0	458.475	1.041	1	0		JDAFRL
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCCCCC(=O)[O-])C(=O)[O-])cc1	ZINC000029416943	563103755	/nfs/dbraw/zinc/10/37/55/563103755.db2.gz	FNANGUHFLFYAFR-MRXNPFEDSA-N	-2	0	496.528	1.439	1	0		JDAFRL
CCCCCNC(=O)[C@@H](Cc1ccc(OCC(=O)[O-])c(C(=O)[O-])c1)NC(=O)CCC(=O)[O-]	ZINC000029477621	563105002	/nfs/dbraw/zinc/10/50/02/563105002.db2.gz	JSRCWCUPTJIRIO-OAHLLOKOSA-N	-3	0	452.460	1.047	1	0		JDAFRL
Nc1nc2[nH]c(CCCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=O)[nH]1	ZINC000045389374	563194895	/nfs/dbraw/zinc/19/48/95/563194895.db2.gz	NDMAMOPJTVHRPP-AWEZNQCLSA-N	-2	0	475.527	1.898	1	0		JDAFRL
CC[C@@H]1c2c(=O)nc(N)[nH]c2NC[C@@H]1CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000058590859	563208082	/nfs/dbraw/zinc/20/80/82/563208082.db2.gz	GOKSNIJPDRLOBQ-HRCADAONSA-N	-2	0	471.514	1.568	1	0		JDAFRL
CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1C=CC2[C@@H]2C(=O)N([C@@H](CC(C)C)C(=O)[O-])C(=O)[C@@H]21	ZINC000169299896	569868166	/nfs/dbraw/zinc/86/81/66/569868166.db2.gz	QVTBAJCUTAIVEU-XIMZGABESA-N	-2	0	474.510	1.003	1	0		JDAFRL
C[C@@H]1c2c(=O)nc(N)[nH]c2NC[C@H]1CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000253635146	581097753	/nfs/dbraw/zinc/09/77/53/581097753.db2.gz	CJYJOFHMOJCKDH-NILFDRSVSA-N	-2	0	457.487	1.590	1	0		JDAFRL
Nc1cc2c(c(=O)[nH]1)C[C@@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CCN2	ZINC000027522516	581100161	/nfs/dbraw/zinc/10/01/61/581100161.db2.gz	OYZJAEQJHDLZOE-WMLDXEAASA-N	-2	0	456.499	1.612	1	0		JDAFRL
Cc1nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2c(=O)n1[N-]S(=O)(=O)c1nccs1	ZINC000001651093	562922423	/nfs/dbraw/zinc/92/24/23/562922423.db2.gz	OLKZUOHNDOLUFW-UHFFFAOYSA-N	-2	0	484.566	1.351	1	0		JDAFRL
CCCc1c(CNc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)cnc2nc(N)nc(N)c21	ZINC000001893699	562923958	/nfs/dbraw/zinc/92/39/58/562923958.db2.gz	PQZZBDUMSDNDHN-INIZCTEOSA-N	-2	0	481.513	1.802	1	0		JDAFRL
C[C@H](c1nc2ccccc2[nH]1)c1nc2ccc(C(=O)N[C@@H](C[P@@](=O)([O-])O)C(=O)[O-])cc2n1C	ZINC000001905831	562924084	/nfs/dbraw/zinc/92/40/84/562924084.db2.gz	ZVNJVQNMVGIIHK-BZNIZROVSA-N	-2	0	471.410	1.962	1	0		JDAFRL
C[C@@H](c1nc2cc(C(N)=O)ccc2[nH]1)c1nc2cc(C(=O)[C@@H](C[P@@](=O)([O-])O)C(=O)[O-])ccc2n1C	ZINC000003587388	562927221	/nfs/dbraw/zinc/92/72/21/562927221.db2.gz	MXDHXCGIJTWSKJ-GXFFZTMASA-N	-2	0	499.420	1.762	1	0		JDAFRL
Cc1nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2c(=O)n1[N-]S(=O)(=O)c1ccccn1	ZINC000006013572	562936376	/nfs/dbraw/zinc/93/63/76/562936376.db2.gz	KEOJFGQLWVISSI-UHFFFAOYSA-N	-2	0	472.508	1.228	1	0		JDAFRL
CCCCCNC(=O)[C@H](Cc1ccc(O/C(=C/C(=O)[O-])C(=O)[O-])cc1)NC(=O)CCC(=O)[O-]	ZINC000013472221	562965740	/nfs/dbraw/zinc/96/57/40/562965740.db2.gz	ZPRUFKVRBMDPEA-YKBBIGDRSA-N	-3	0	464.471	1.317	1	0		JDAFRL
CC(=O)N(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000013508785	562970540	/nfs/dbraw/zinc/97/05/40/562970540.db2.gz	YSALQHPMBKCQDP-SFHVURJKSA-N	-2	0	481.465	1.106	1	0		JDAFRL
Nc1nc(N)c2cc(COC(=O)c3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)ccc2n1	ZINC000013525044	562971442	/nfs/dbraw/zinc/97/14/42/562971442.db2.gz	ZNUDIEOBFLPDJF-MRXNPFEDSA-N	-2	0	467.438	1.199	1	0		JDAFRL
C[C@H](N[C@@H](C(=O)[O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000013590067	562978255	/nfs/dbraw/zinc/97/82/55/562978255.db2.gz	LLFFWZDDRVOVRS-LRGNLBRXSA-N	-2	0	467.522	1.535	1	0		JDAFRL
CC(=O)N[C@@H](CSC(=O)Nc1cccc(NC(=O)SC[C@H](NC(C)=O)C(=O)[O-])c1)C(=O)[O-]	ZINC000013671451	562982467	/nfs/dbraw/zinc/98/24/67/562982467.db2.gz	JSFCUSVJNDMUFQ-KBPBESRZSA-N	-2	0	486.528	1.395	1	0		JDAFRL
Nc1nc(N)c2cc(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c4c3CCCC4)cnc2n1	ZINC000013732289	562985327	/nfs/dbraw/zinc/98/53/27/562985327.db2.gz	NUNLGRUYHXNVGH-SFHVURJKSA-N	-2	0	493.524	1.728	1	0		JDAFRL
Cc1nc2ccc(CN(C)c3cnc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=O)[nH]1	ZINC000013821841	562997751	/nfs/dbraw/zinc/99/77/51/562997751.db2.gz	XUGXBPUAQDHYCB-AWEZNQCLSA-N	-2	0	459.484	1.372	1	0		JDAFRL
Cc1nc2ccc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cn3)cc2c(=O)[nH]1	ZINC000013821870	562997820	/nfs/dbraw/zinc/99/78/20/562997820.db2.gz	ZTIHTIXUCYRFEP-KRWDZBQOSA-N	-2	0	453.455	1.311	1	0		JDAFRL
Cc1ccc2[nH]c(Cc3nc4ccc(C(=O)N[C@@H](C[P@@](=O)([O-])O)C(=O)[O-])cc4n3C)nc2c1	ZINC000013860246	563001905	/nfs/dbraw/zinc/00/19/05/563001905.db2.gz	WOXDRIMKYIYZMA-INIZCTEOSA-N	-2	0	471.410	1.710	1	0		JDAFRL
Cn1c2cc(C(=O)N[C@H](C[P@@](=O)([O-])O)C(=O)[O-])ccc2nc1[C@@H](F)c1nc2ccccc2[nH]1	ZINC000013860257	563002065	/nfs/dbraw/zinc/00/20/65/563002065.db2.gz	CBYKXMCQCUOUOF-ZBFHGGJFSA-N	-2	0	475.373	1.869	1	0		JDAFRL
Nc1nc(N)c2cc(CNc3ccc(C(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c(Cl)c3)ccc2n1	ZINC000016951476	563013223	/nfs/dbraw/zinc/01/32/23/563013223.db2.gz	CEUFDEOPWBBLCY-OAHLLOKOSA-N	-2	0	458.862	1.717	1	0		JDAFRL
CC[C@@H](CC1=Nc2c(N)nc(N)nc2NC1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026002865	563021388	/nfs/dbraw/zinc/02/13/88/563021388.db2.gz	UWJVCMUANRKMFF-XHDPSFHLSA-N	-2	0	469.502	1.771	1	0		JDAFRL
Cc1c(CNc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)cnc2nc(N)[nH]c(=O)c12	ZINC000026023671	563022058	/nfs/dbraw/zinc/02/20/58/563022058.db2.gz	HAPDCNOZACJNHT-AWEZNQCLSA-N	-2	0	454.443	1.281	1	0		JDAFRL
CN(Cc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)c1ccc2nc(N)nc(N)c2c1	ZINC000026189963	563024328	/nfs/dbraw/zinc/02/43/28/563024328.db2.gz	MBAXRIPJWOAPEZ-KRWDZBQOSA-N	-2	0	452.471	1.478	1	0		JDAFRL
CC[C@@H]1c2c(=O)nc(N)[nH]c2NC[C@H]1CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026263030	563024819	/nfs/dbraw/zinc/02/48/19/563024819.db2.gz	GOKSNIJPDRLOBQ-PMPSAXMXSA-N	-2	0	471.514	1.568	1	0		JDAFRL
C[C@H](N[C@@H](C(=O)[O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000026471000	563027907	/nfs/dbraw/zinc/02/79/07/563027907.db2.gz	LLFFWZDDRVOVRS-NASSWSRMSA-N	-2	0	467.522	1.535	1	0		JDAFRL
Cc1nc2ccc(CN(CCO)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000026834774	563036444	/nfs/dbraw/zinc/03/64/44/563036444.db2.gz	FVKKWABAYMXQSO-FQEVSTJZSA-N	-2	0	482.493	1.278	1	0		JDAFRL
Nc1nc(N)c2c(ncc3c2CC[C@H](c2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)C3)n1	ZINC000026959600	563038116	/nfs/dbraw/zinc/03/81/16/563038116.db2.gz	TWQHKMFGGWXDNM-XJKSGUPXSA-N	-2	0	464.482	1.510	1	0		JDAFRL
CN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s1	ZINC000026985704	563038709	/nfs/dbraw/zinc/03/87/09/563038709.db2.gz	NMGLYXPVQQIRKE-CYBMUJFWSA-N	-2	0	459.484	1.251	1	0		JDAFRL
C[C@@H](Cc1ccc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027211454	563042052	/nfs/dbraw/zinc/04/20/52/563042052.db2.gz	GOFXWLAIFGDFSK-MEDUHNTESA-N	-2	0	452.471	1.583	1	0		JDAFRL
CCCCCNC(=O)[C@@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)CC(C)(C)CC(=O)[O-]	ZINC000027717188	563050185	/nfs/dbraw/zinc/05/01/85/563050185.db2.gz	AQDPBKLQIJCBBZ-QGZVFWFLSA-N	-3	0	494.541	1.828	1	0		JDAFRL
CC(C)N(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000028251182	563058912	/nfs/dbraw/zinc/05/89/12/563058912.db2.gz	YQXJETCJNPMXRD-IBGZPJMESA-N	-2	0	481.509	1.968	1	0		JDAFRL
CC(=O)N(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000028254240	563059148	/nfs/dbraw/zinc/05/91/48/563059148.db2.gz	YSALQHPMBKCQDP-GOSISDBHSA-N	-2	0	481.465	1.106	1	0		JDAFRL
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@H](CCCCCCC(=O)[O-])C(=O)[O-])cc3)cnc2n1	ZINC000028763808	563078511	/nfs/dbraw/zinc/07/85/11/563078511.db2.gz	BCSXSIFOTDDJGP-MRXNPFEDSA-N	-2	0	496.528	1.805	1	0		JDAFRL
O=C(Cc1cc(=O)oc2cc(OP(=O)([O-])[O-])ccc12)NCCc1ccc(OP(=O)([O-])[O-])cc1	ZINC000029047190	563092517	/nfs/dbraw/zinc/09/25/17/563092517.db2.gz	UQVPEJSVTMGQHL-UHFFFAOYSA-N	-4	0	499.305	1.637	1	0		JDAFRL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@H]2O[C@@H](/C=C/c3ccccc3)O[C@H]21	ZINC000029135264	563098018	/nfs/dbraw/zinc/09/80/18/563098018.db2.gz	JFTNYTMWZHTTBD-AVDKDYHMSA-N	-2	0	461.371	1.239	1	0		JDAFRL
O=P([O-])([O-])OC[C@H]1O[C@@H](n2ncc3c2ncnc3SC/C=C/c2ccccc2)[C@H](O)[C@@H]1O	ZINC000029314569	563099932	/nfs/dbraw/zinc/09/99/32/563099932.db2.gz	UJMUNDAAXAQBBN-AHJFJREOSA-N	-2	0	480.439	1.360	1	0		JDAFRL
CN(Cc1c[nH]c2nc(N)nc(N)c12)c1ccc(C(=O)N(C)[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000034802539	563116070	/nfs/dbraw/zinc/11/60/70/563116070.db2.gz	FZLSWQFQXKTWEX-CQSZACIVSA-N	-2	0	455.475	1.149	1	0		JDAFRL
CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)NCC(=O)NCCCc1ccccc1	ZINC000040465111	563144084	/nfs/dbraw/zinc/14/40/84/563144084.db2.gz	ZRFDKZRRSFYONO-FQEVSTJZSA-N	-2	0	477.454	1.071	1	0		JDAFRL
CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@@H](C)C(=O)NCCCc1ccccc1	ZINC000040465453	563144170	/nfs/dbraw/zinc/14/41/70/563144170.db2.gz	LQZPPAWSRPKNHP-KKSFZXQISA-N	-2	0	491.481	1.459	1	0		JDAFRL
O=C([O-])CNC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(=O)[O-]	ZINC000045390599	563194980	/nfs/dbraw/zinc/19/49/80/563194980.db2.gz	BFWSDMLXEWCOOL-LBPRGKRZSA-N	-2	0	477.255	1.028	1	0		JDAFRL
O=P([O-])([O-])OC[C@H]1O[C@H](n2ncc3c2ncnc3SC/C=C/c2ccccc2)[C@H](O)[C@@H]1O	ZINC000048999524	563196875	/nfs/dbraw/zinc/19/68/75/563196875.db2.gz	UJMUNDAAXAQBBN-MOQXTSPGSA-N	-2	0	480.439	1.360	1	0		JDAFRL
C[C@@H](Nc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000053151199	563205056	/nfs/dbraw/zinc/20/50/56/563205056.db2.gz	RPRLFYWSPUCFEU-DIFFPNOSSA-N	-2	0	453.455	1.726	1	0		JDAFRL
C[C@H](C[C@@H]1CNc2[nH]c(N)nc(=O)c2C1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000058525424	563206891	/nfs/dbraw/zinc/20/68/91/563206891.db2.gz	ISZMJIOSOYNEIB-BFQNTYOBSA-N	-2	0	457.487	1.178	1	0		JDAFRL
CC(C)C[C@@H](C(=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1C=CC2[C@@H]2C(=O)N([C@@H](CC(C)C)C(=O)[O-])C(=O)[C@@H]21	ZINC000169299893	569868165	/nfs/dbraw/zinc/86/81/65/569868165.db2.gz	QVTBAJCUTAIVEU-ODWJCNKHSA-N	-2	0	474.510	1.003	1	0		JDAFRL
CC(C)C[C@@H](C(=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1C=CC2[C@@H]2C(=O)N([C@@H](CC(C)C)C(=O)[O-])C(=O)[C@H]21	ZINC000169299890	569868168	/nfs/dbraw/zinc/86/81/68/569868168.db2.gz	QVTBAJCUTAIVEU-BBPPLBTCSA-N	-2	0	474.510	1.003	1	0		JDAFRL
C[C@@H](Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)C[C@@H]1CNc2[nH]c(N)nc(=O)c2N1	ZINC000036348446	581097813	/nfs/dbraw/zinc/09/78/13/581097813.db2.gz	BEYZYYLWBYDYNB-NILFDRSVSA-N	-2	0	472.502	1.287	1	0		JDAFRL
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)cc1-c1ccc(OCc2ccccc2)cc1	ZINC000169713168	581098119	/nfs/dbraw/zinc/09/81/19/581098119.db2.gz	WBQVPNGHCJTSSK-ZCNNSNEGSA-N	-2	0	490.405	1.540	1	0		JDAFRL
Cc1cccc2[nH]c(Cc3nc4ccc(C(=O)N[C@H](C[P@@](=O)([O-])O)C(=O)[O-])cc4n3C)nc21	ZINC000003587858	562927227	/nfs/dbraw/zinc/92/72/27/562927227.db2.gz	RNVXFIHVBGUSFZ-OAHLLOKOSA-N	-2	0	471.410	1.710	1	0		JDAFRL
Cc1ccccc1S(=O)(=O)[N-]C(=O)Nc1cscc1C1=NC(C(=O)[O-])C(=O)C(=O)N1	ZINC000003582324	562927260	/nfs/dbraw/zinc/92/72/60/562927260.db2.gz	DJROWLQHGZHAGX-UHFFFAOYSA-N	-2	0	450.454	1.721	1	0		JDAFRL
Nc1nc(N)c2cc(COC(=O)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)ccc2n1	ZINC000003916447	562929798	/nfs/dbraw/zinc/92/97/98/562929798.db2.gz	ZNUDIEOBFLPDJF-INIZCTEOSA-N	-2	0	467.438	1.199	1	0		JDAFRL
Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])sc1CC[C@@H]1CNc2[nH]c(N)nc(=O)c2S1	ZINC000004959712	562933856	/nfs/dbraw/zinc/93/38/56/562933856.db2.gz	JXLUUFBZGXCZRH-ZJUUUORDSA-N	-2	0	481.556	1.289	1	0		JDAFRL
Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])sc1CC[C@H]1CNc2[nH]c(N)nc(=O)c2S1	ZINC000008536385	562939554	/nfs/dbraw/zinc/93/95/54/562939554.db2.gz	JXLUUFBZGXCZRH-UWVGGRQHSA-N	-2	0	481.556	1.701	1	0		JDAFRL
Nc1nc(=O)c(SC[C@H]2CCc3cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])sc3C2)c(N)[nH]1	ZINC000008642280	562948424	/nfs/dbraw/zinc/94/84/24/562948424.db2.gz	ZGMCQEIDLHETAQ-WPRPVWTQSA-N	-2	0	481.556	1.353	1	0		JDAFRL
C[C@@H](Cc1cnc2nc(N)nc(N)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000013448325	562964443	/nfs/dbraw/zinc/96/44/43/562964443.db2.gz	IBBJCSZQBBGNDY-ZBEGNZNMSA-N	-2	0	452.471	1.583	1	0		JDAFRL
CC[C@@H](Cc1cnc2nc(N)nc(N)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000013448331	562964453	/nfs/dbraw/zinc/96/44/53/562964453.db2.gz	ITEWLRHMISZGLU-GUYCJALGSA-N	-2	0	466.498	1.973	1	0		JDAFRL
Nc1nc2c(cnn2CCCc2ccc3c(c2)OC(C(=O)[O-])(C(=O)[O-])O3)c2nc(-c3ccco3)nn21	ZINC000013471759	562965633	/nfs/dbraw/zinc/96/56/33/562965633.db2.gz	XAJRAZXSOMHMEV-UHFFFAOYSA-N	-2	0	491.420	1.586	1	0		JDAFRL
CCCCCNC(=O)[C@H](CCc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)CCC(=O)[O-]	ZINC000013472215	562965767	/nfs/dbraw/zinc/96/57/67/562965767.db2.gz	XKCDBGVIQQCVTI-INIZCTEOSA-N	-3	0	466.487	1.192	1	0		JDAFRL
O=C([O-])[C@@H](CCC(=O)N1CCC[C@H]1C(=O)[O-])NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1	ZINC000013599989	562978271	/nfs/dbraw/zinc/97/82/71/562978271.db2.gz	UGWBRAYXRQCGOJ-SQNIBIBYSA-N	-2	0	475.498	1.213	1	0		JDAFRL
CC(=O)N[C@@H](CSC(=O)Nc1ccc(NC(=O)SC[C@H](NC(C)=O)C(=O)[O-])cc1)C(=O)[O-]	ZINC000013671447	562982468	/nfs/dbraw/zinc/98/24/68/562982468.db2.gz	LRBOGZIODJYRGY-KBPBESRZSA-N	-2	0	486.528	1.395	1	0		JDAFRL
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c4ccccc34)cnc2n1	ZINC000013732272	562985358	/nfs/dbraw/zinc/98/53/58/562985358.db2.gz	NXSOQESYOFTIRJ-INIZCTEOSA-N	-2	0	490.480	1.397	1	0		JDAFRL
CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1cnc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s1	ZINC000013821843	562997770	/nfs/dbraw/zinc/99/77/70/562997770.db2.gz	FDGUDBJYOFFZMI-HNNXBMFYSA-N	-2	0	473.511	1.762	1	0		JDAFRL
Cn1c(Cc2nc3ccc(C(=O)N[C@H](C[P@@](=O)([O-])O)C(=O)[O-])cc3n2C)nc2ccccc21	ZINC000013860226	563001937	/nfs/dbraw/zinc/00/19/37/563001937.db2.gz	XUHPZELRFORWOX-OAHLLOKOSA-N	-2	0	471.410	1.412	1	0		JDAFRL
Cn1c(Cc2nc3c(cc(F)cc3F)[nH]2)nc2ccc(C(=O)N[C@@H](C[P@@](=O)([O-])O)C(=O)[O-])cc21	ZINC000013860238	563001943	/nfs/dbraw/zinc/00/19/43/563001943.db2.gz	JNVHPQXRSAIPSE-AWEZNQCLSA-N	-2	0	493.363	1.679	1	0		JDAFRL
COc1ccc2[nH]c(Cc3nc4ccc(C(=O)N[C@H](C[P@@](=O)([O-])O)C(=O)[O-])cc4n3C)nc2c1	ZINC000013860253	563001946	/nfs/dbraw/zinc/00/19/46/563001946.db2.gz	WBKABXYVMIMBTM-MRXNPFEDSA-N	-2	0	487.409	1.410	1	0		JDAFRL
Cn1c(Cc2nc3c(ccc(F)c3F)[nH]2)nc2ccc(C(=O)N[C@@H](C[P@@](=O)([O-])O)C(=O)[O-])cc21	ZINC000013860240	563001967	/nfs/dbraw/zinc/00/19/67/563001967.db2.gz	CONRXXQNDSIPIL-ZDUSSCGKSA-N	-2	0	493.363	1.679	1	0		JDAFRL
Cn1c(Cc2nc3ccc(C(=O)N[C@@H](C[P@@](=O)([O-])O)C(=O)[O-])cc3n2C)nc2ccccc21	ZINC000013860225	563001984	/nfs/dbraw/zinc/00/19/84/563001984.db2.gz	XUHPZELRFORWOX-HNNXBMFYSA-N	-2	0	471.410	1.412	1	0		JDAFRL
C[C@H](c1nc2cc(C(N)=O)ccc2[nH]1)c1nc2cc(C(=O)[C@H](C[P@@](=O)([O-])O)C(=O)[O-])ccc2n1C	ZINC000013860217	563002000	/nfs/dbraw/zinc/00/20/00/563002000.db2.gz	MXDHXCGIJTWSKJ-MFKMUULPSA-N	-2	0	499.420	1.762	1	0		JDAFRL
C[C@@H](c1nc2ccccc2[nH]1)c1nc2ccc(C(=O)N[C@@H](C[P@@](=O)([O-])O)C(=O)[O-])cc2n1C	ZINC000013860218	563002009	/nfs/dbraw/zinc/00/20/09/563002009.db2.gz	ZVNJVQNMVGIIHK-ZBEGNZNMSA-N	-2	0	471.410	1.962	1	0		JDAFRL
Cn1c2cc(C(=O)N[C@H](C[P@@](=O)([O-])O)C(=O)[O-])ccc2nc1C(F)(F)c1nc2ccccc2[nH]1	ZINC000013860264	563002100	/nfs/dbraw/zinc/00/21/00/563002100.db2.gz	JLFYTDJGSBYOSU-CQSZACIVSA-N	-2	0	493.363	1.950	1	0		JDAFRL
Cn1c2cc(C(=O)N[C@@H](C[P@@](=O)([O-])O)C(=O)[O-])ccc2nc1C(F)(F)c1nc2ccccc2[nH]1	ZINC000013860263	563002122	/nfs/dbraw/zinc/00/21/22/563002122.db2.gz	JLFYTDJGSBYOSU-AWEZNQCLSA-N	-2	0	493.363	1.950	1	0		JDAFRL
CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)[O-])cc2CN1C(=O)CCc1cccc(C(=O)[O-])c1	ZINC000014952763	563007330	/nfs/dbraw/zinc/00/73/30/563007330.db2.gz	AQIMGTQPGXDDPP-SFHVURJKSA-N	-2	0	461.496	1.232	1	0	in-vitro	JDAFRL
Nc1nc(N)c2cc(CN(C=O)c3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)ccc2n1	ZINC000017106162	563013455	/nfs/dbraw/zinc/01/34/55/563013455.db2.gz	WFKZHYAJLQEESN-QGZVFWFLSA-N	-2	0	466.454	1.005	1	0		JDAFRL
CC[C@H](C[C@H]1CNc2nc(N)nc(N)c2N1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026005530	563021436	/nfs/dbraw/zinc/02/14/36/563021436.db2.gz	BPVKTBUBZOBDHE-UGFHNGPFSA-N	-2	0	471.518	1.479	1	0		JDAFRL
Cc1c(CNc2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)cnc2nc(N)nc(N)c12	ZINC000026021785	563021930	/nfs/dbraw/zinc/02/19/30/563021930.db2.gz	HQUYUYFCWLLOEV-CQSZACIVSA-N	-2	0	453.459	1.158	1	0		JDAFRL
CC[C@H](Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)c1cnc2nc(N)nc(N)c2n1	ZINC000026258465	563024704	/nfs/dbraw/zinc/02/47/04/563024704.db2.gz	BRBJBKGSGUBGLP-TZMCWYRMSA-N	-2	0	467.486	1.368	1	0		JDAFRL
C[C@H](N[C@H](C(=O)[O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000026470995	563027899	/nfs/dbraw/zinc/02/78/99/563027899.db2.gz	LLFFWZDDRVOVRS-CZGNIMDHSA-N	-2	0	467.522	1.535	1	0		JDAFRL
Cc1c(N(C)Cc2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)ccc2nc(N)[nH]c(=O)c12	ZINC000026472869	563028014	/nfs/dbraw/zinc/02/80/14/563028014.db2.gz	OLONLVVONCLGDP-MRXNPFEDSA-N	-2	0	467.482	1.498	1	0		JDAFRL
O=C([O-])[C@@H](CCC(=O)N1CCC[C@H]1C(=O)[O-])NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1	ZINC000026473986	563028022	/nfs/dbraw/zinc/02/80/22/563028022.db2.gz	UGWBRAYXRQCGOJ-KURKYZTESA-N	-2	0	475.498	1.213	1	0		JDAFRL
COCCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026834720	563036461	/nfs/dbraw/zinc/03/64/61/563036461.db2.gz	GWKMJJSMEDKWOA-NRFANRHFSA-N	-2	0	496.520	1.932	1	0		JDAFRL
Cc1nc2ccc(CN(CCCO)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000026834933	563036572	/nfs/dbraw/zinc/03/65/72/563036572.db2.gz	KMIALRSTGSQGJI-NRFANRHFSA-N	-2	0	496.520	1.668	1	0		JDAFRL
CC[C@H](Cc1ccc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027210385	563041931	/nfs/dbraw/zinc/04/19/31/563041931.db2.gz	ODUVEXGYNIEOHD-SJKOYZFVSA-N	-2	0	466.498	1.973	1	0		JDAFRL
CC[C@@H](Cc1ccc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027210381	563041953	/nfs/dbraw/zinc/04/19/53/563041953.db2.gz	ODUVEXGYNIEOHD-YVEFUNNKSA-N	-2	0	466.498	1.973	1	0		JDAFRL
CC[C@@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s1	ZINC000027210867	563041990	/nfs/dbraw/zinc/04/19/90/563041990.db2.gz	GEHSFAONYUHADA-GXSJLCMTSA-N	-2	0	473.515	1.430	1	0		JDAFRL
CCc1c(CN(C)c2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s2)cnc2nc(N)nc(N)c21	ZINC000027216055	563042254	/nfs/dbraw/zinc/04/22/54/563042254.db2.gz	FYEZZWUVAUCFTA-GFCCVEGCSA-N	-2	0	487.542	1.497	1	0		JDAFRL
CCc1c(CN(C)c2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)cnc2nc(N)nc(N)c21	ZINC000027298858	563042273	/nfs/dbraw/zinc/04/22/73/563042273.db2.gz	GIIGEKUDIQENBV-INIZCTEOSA-N	-2	0	481.513	1.436	1	0		JDAFRL
Cc1c(CN(C)c2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s2)cnc2nc(N)nc(N)c12	ZINC000027303041	563042427	/nfs/dbraw/zinc/04/24/27/563042427.db2.gz	RSBODQKSFGCIIY-NSHDSACASA-N	-2	0	473.515	1.243	1	0		JDAFRL
CCCCCNC(=O)[C@@H](Cc1ccc(O[C@H](CC(=O)[O-])C(=O)[O-])cc1)NC(=O)CCC(=O)[O-]	ZINC000027708797	563049661	/nfs/dbraw/zinc/04/96/61/563049661.db2.gz	JQEOIKODJAHHEG-IAGOWNOFSA-N	-3	0	466.487	1.192	1	0		JDAFRL
CC[C@H](C[C@@H]1CNc2[nH]c(N)nc(=O)c2C1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027739746	563050970	/nfs/dbraw/zinc/05/09/70/563050970.db2.gz	QOBQCACCWAZPBR-AHIWAGSCSA-N	-2	0	471.514	1.568	1	0		JDAFRL
CC[C@H](C[C@H]1CNc2[nH]c(N)nc(=O)c2C1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027739760	563050997	/nfs/dbraw/zinc/05/09/97/563050997.db2.gz	QOBQCACCWAZPBR-XNJGSVPQSA-N	-2	0	471.514	1.568	1	0		JDAFRL
C[C@](CCC(=O)[O-])(NC(=O)c1ccc(CC[C@@H]2CNc3nc(N)nc(N)c3C2)cc1)C(=O)[O-]	ZINC000027864391	563052292	/nfs/dbraw/zinc/05/22/92/563052292.db2.gz	OTSGPZJZRLKKGY-WHEQGISXSA-N	-2	0	456.503	1.296	1	0		JDAFRL
Cc1nc2nc(N)nc(N)c2c(C)c1CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000028227390	563058077	/nfs/dbraw/zinc/05/80/77/563058077.db2.gz	FHARHFUHOUWOHC-OAHLLOKOSA-N	-2	0	467.486	1.466	1	0		JDAFRL
C[C@@H](OP(=O)([O-])[O-])[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(N)=O	ZINC000028469202	563065252	/nfs/dbraw/zinc/06/52/52/563065252.db2.gz	JGCRFEDIULKSFR-BPAFIMBUSA-N	-2	0	489.465	1.277	1	0		JDAFRL
O=C(Cc1cc(=O)oc2cc(OP(=O)([O-])[O-])ccc12)NCc1ccc(OP(=O)([O-])[O-])cc1	ZINC000029047187	563092506	/nfs/dbraw/zinc/09/25/06/563092506.db2.gz	ZLTUALTZHQHWFP-UHFFFAOYSA-N	-4	0	485.278	1.595	1	0		JDAFRL
Cc1nc2ccc(CN(CCO)c3cnc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=O)[nH]1	ZINC000029340700	563101022	/nfs/dbraw/zinc/10/10/22/563101022.db2.gz	VIWVDLMJXRITSZ-OAHLLOKOSA-N	-2	0	489.510	1.147	1	0		JDAFRL
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCCCC(=O)[O-])C(=O)[O-])cc1	ZINC000029409587	563103109	/nfs/dbraw/zinc/10/31/09/563103109.db2.gz	OOTDXCUPXQETAY-OAHLLOKOSA-N	-2	0	482.501	1.049	1	0		JDAFRL
Nc1nc2ncc(SCc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000031905553	563109048	/nfs/dbraw/zinc/10/90/48/563109048.db2.gz	DCYDHFXMHVUOJO-CQSZACIVSA-N	-2	0	457.468	1.240	1	0		JDAFRL
CN(Cc1c[nH]c2nc(N)nc(N)c12)c1ccc(C(=O)N(C)[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000034802538	563116079	/nfs/dbraw/zinc/11/60/79/563116079.db2.gz	FZLSWQFQXKTWEX-AWEZNQCLSA-N	-2	0	455.475	1.149	1	0		JDAFRL
Nc1nc(Nc2ccc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])cc2)nn1C(=O)c1c(F)cccc1F	ZINC000035903771	563121218	/nfs/dbraw/zinc/12/12/18/563121218.db2.gz	KGHKTEALHPGTKH-UHFFFAOYSA-N	-2	0	494.436	1.240	1	0		JDAFRL
C[C@H](Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)C[C@@H]1CNc2[nH]c(N)nc(=O)c2N1	ZINC000036348449	563126441	/nfs/dbraw/zinc/12/64/41/563126441.db2.gz	BEYZYYLWBYDYNB-KCPJHIHWSA-N	-2	0	472.502	1.287	1	0		JDAFRL
O=C([N-]S(=O)(=O)c1cccc(Cl)c1)NCCNC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000040975893	563161966	/nfs/dbraw/zinc/16/19/66/563161966.db2.gz	IRZYLVCGIGIXJV-UHFFFAOYSA-N	-2	0	495.366	1.669	1	0		JDAFRL
Nc1nc(SCCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000045290955	563184919	/nfs/dbraw/zinc/18/49/19/563184919.db2.gz	HJGUFLXUXLYGLH-LSCFUAHRSA-N	-2	0	489.491	1.200	1	0		JDAFRL
COc1cc(C(=O)N[C@H](CCC(=O)[O-])C(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc(OC)c1OC	ZINC000045495426	563195544	/nfs/dbraw/zinc/19/55/44/563195544.db2.gz	ALDGZQPIINGCCY-CQSZACIVSA-N	-2	0	476.438	1.718	1	0		JDAFRL
COc1cc(/C=C/C(=O)O[C@H](C(=O)[O-])[C@](O)(Cc2ccc(O)cc2)C(=O)[O-])cc(OC)c1O	ZINC000049784300	563203654	/nfs/dbraw/zinc/20/36/54/563203654.db2.gz	BTQPTWPZTSYUPW-AHKCGJDQSA-N	-2	0	462.407	1.183	1	0		JDAFRL
CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1C=CC2[C@H]2C(=O)N([C@@H](CC(C)C)C(=O)[O-])C(=O)[C@H]21	ZINC000169299892	569868174	/nfs/dbraw/zinc/86/81/74/569868174.db2.gz	QVTBAJCUTAIVEU-YRTWYEBWSA-N	-2	0	474.510	1.003	1	0		JDAFRL
O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@H](COP(=O)([O-])[O-])O2)cc1-c1ccc(OCc2ccccc2)cc1	ZINC000036350162	581098077	/nfs/dbraw/zinc/09/80/77/581098077.db2.gz	WBQVPNGHCJTSSK-HSALFYBXSA-N	-2	0	490.405	1.540	1	0		JDAFRL
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](COP(=O)([O-])[O-])O2)cc1-c1ccc(OCc2ccccc2)cc1	ZINC000036350153	581098096	/nfs/dbraw/zinc/09/80/96/581098096.db2.gz	WBQVPNGHCJTSSK-UFYCRDLUSA-N	-2	0	490.405	1.540	1	0		JDAFRL