smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CCCC(=O)Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(O)c21	ZINC000013731280	563001825	/nfs/dbraw/zinc/00/18/25/563001825.db2.gz	VTABPPRWKFVMRW-UHFFFAOYSA-N	-3	0	433.416	1.232	1	0		IDAFRL
C[C@@H]1COc2c(N3CCn4cc(C(=O)[O-])nc4C3)c(F)cc3c(=O)c(C(=O)[O-])cn1c32	ZINC000029127232	563074848	/nfs/dbraw/zinc/07/48/48/563074848.db2.gz	BSEIHXXYLAZKQU-SECBINFHSA-N	-2	0	428.376	1.707	1	0		IDAFRL
O=C([O-])CCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	ZINC000039614016	563099191	/nfs/dbraw/zinc/09/91/91/563099191.db2.gz	SRYZNGWEVJFCBO-UHFFFAOYSA-N	-2	0	431.420	1.687	1	0		IDAFRL
Nc1nc(N)c2cc(NCc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)ccc2n1	ZINC000001565330	562923013	/nfs/dbraw/zinc/92/30/13/562923013.db2.gz	SSPKJOYJIAOUSU-MRXNPFEDSA-N	-2	0	438.444	1.454	1	0		IDAFRL
CS(=O)(=O)[N-]c1cc2cc(C(=O)[O-])nc(C(=O)c3ccc4c(c3)OCO4)c2cc1[O-]	ZINC000013490174	562990215	/nfs/dbraw/zinc/99/02/15/562990215.db2.gz	VYTMVLBKQAJVGF-UHFFFAOYSA-N	-3	0	430.394	1.970	1	0		IDAFRL
O=c1nc2n(c([O-])c1[C@H](c1ccc(F)cc1)c1c([O-])nc3n(c1=O)CCS3)CCS2	ZINC000013635505	562998211	/nfs/dbraw/zinc/99/82/11/562998211.db2.gz	UEPOVVVJRSIASS-LLVKDONJSA-N	-2	0	446.485	1.742	1	0		IDAFRL
Cc1c(Sc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)[nH]c2nc(N)[nH]c(=O)c12	ZINC000013675640	563000454	/nfs/dbraw/zinc/00/04/54/563000454.db2.gz	DGRMTNYOVDPDTP-NSHDSACASA-N	-2	0	445.457	1.341	1	0		IDAFRL
Nc1nc2c(c(=O)[nH]1)[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000013736739	563002385	/nfs/dbraw/zinc/00/23/85/563002385.db2.gz	UHHNBPRUPMUDTH-WFASDCNBSA-N	-2	0	428.445	1.063	1	0		IDAFRL
Cc1nc2ccc(NCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=O)[nH]1	ZINC000013822811	563010227	/nfs/dbraw/zinc/01/02/27/563010227.db2.gz	PMPUDXGESOOQDG-HNNXBMFYSA-N	-2	0	444.469	1.953	1	0		IDAFRL
Nc1nc(N)c2c(CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cccc2n1	ZINC000027856716	563047394	/nfs/dbraw/zinc/04/73/94/563047394.db2.gz	SEARGORSCMRXLF-OAHLLOKOSA-N	-2	0	438.444	1.454	1	0		IDAFRL
O=C([O-])CC[C@H](NC(=O)c1ccc(OCc2ccc3nc[nH]c(=O)c3c2)cc1)C(=O)[O-]	ZINC000027995767	563049066	/nfs/dbraw/zinc/04/90/66/563049066.db2.gz	SBHZEAREFBGFNL-KRWDZBQOSA-N	-2	0	425.397	1.550	1	0		IDAFRL
O=C([O-])CN1c2ccccc2[S@@](=O)C[C@H](N[C@@H](CCc2ccccc2)C(=O)[O-])C1=O	ZINC000029317649	563077698	/nfs/dbraw/zinc/07/76/98/563077698.db2.gz	IRIGUIXBPNPXDH-KIUMHBGESA-N	-2	0	430.482	1.270	1	0		IDAFRL
O=C([O-])CC[C@H](NC(=O)N[C@@H](CCCC[NH2+]Cc1ccccc1Cl)C(=O)[O-])C(=O)[O-]	ZINC000040973380	563115038	/nfs/dbraw/zinc/11/50/38/563115038.db2.gz	HDDBVNPCLXYMKS-GJZGRUSLSA-N	-2	0	443.884	1.670	1	0		IDAFRL
CCN1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2OC)C[C@@H]1C(=O)[O-]	ZINC000095592738	563190582	/nfs/dbraw/zinc/19/05/82/563190582.db2.gz	YXAOKAQEEYOMRQ-OAHLLOKOSA-N	-2	0	433.436	1.777	1	0		IDAFRL
O=c1nc2n(c([O-])c1[C@H](c1ccccc1)c1c([O-])nc3n(c1=O)CCS3)CCS2	ZINC000008829261	562964600	/nfs/dbraw/zinc/96/46/00/562964600.db2.gz	XLDGEEWAVVVKQN-LLVKDONJSA-N	-2	0	428.495	1.603	1	0		IDAFRL
Nc1nc2occ(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(N)n1	ZINC000013603572	562997057	/nfs/dbraw/zinc/99/70/57/562997057.db2.gz	ACXZKUHGYNILFP-LBPRGKRZSA-N	-2	0	428.405	1.047	1	0		IDAFRL
Nc1nc(N)c2nc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)ccc2n1	ZINC000027209764	563040956	/nfs/dbraw/zinc/04/09/56/563040956.db2.gz	COVDXGKJVVADHM-HNNXBMFYSA-N	-2	0	438.444	1.022	1	0		IDAFRL
CCCCCNC(=O)[C@@H](Cc1ccc(OC(=O)CC(=O)[O-])cc1)NC(=O)CCC(=O)[O-]	ZINC000027718106	563045778	/nfs/dbraw/zinc/04/57/78/563045778.db2.gz	ILHKLTMDMLKVHO-MRXNPFEDSA-N	-2	0	436.461	1.265	1	0		IDAFRL
C[C@H]1COc2c(N3CCn4cc(C(=O)[O-])nc4C3)c(F)c(N)c3c(=O)c(C(=O)[O-])cn1c23	ZINC000029127171	563074845	/nfs/dbraw/zinc/07/48/45/563074845.db2.gz	MJSJRNGCDRYIGF-QMMMGPOBSA-N	-2	0	443.391	1.289	1	0		IDAFRL
CCOC(=O)COc1ccc2cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])ccc2c1	ZINC000040391328	563099818	/nfs/dbraw/zinc/09/98/18/563099818.db2.gz	RPHVNTQBEDVAPK-MRXNPFEDSA-N	-2	0	439.442	1.378	1	0		IDAFRL
CC(C)C[C@H](N[P@](=O)([O-])CNC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)[O-]	ZINC000040786392	563106735	/nfs/dbraw/zinc/10/67/35/563106735.db2.gz	DVNAMUNBHDIPLR-HIFRSBDPSA-N	-2	0	429.410	1.649	1	0		IDAFRL
O=C([O-])CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1)C(=O)[O-])C(=O)[O-]	ZINC000040974972	563115197	/nfs/dbraw/zinc/11/51/97/563115197.db2.gz	YHGIYVVZAPBHCX-KBPBESRZSA-N	-3	0	438.437	1.049	1	0		IDAFRL
O=C([O-])CC[C@@H](NC(=O)c1cccc(CNc2cccc(OCC(=O)[O-])c2)c1)C(=O)[O-]	ZINC000072109758	563163243	/nfs/dbraw/zinc/16/32/43/563163243.db2.gz	UBLIXYCDSZPYSY-QGZVFWFLSA-N	-3	0	430.413	1.810	1	0		IDAFRL
Cc1nc(N)nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c21	ZINC000003874328	562939197	/nfs/dbraw/zinc/93/91/97/562939197.db2.gz	FICRNCFTTZHHPO-HNNXBMFYSA-N	-2	0	425.445	1.633	1	0	in-vitro	IDAFRL
CCCCCNC(=O)[C@H](Cc1ccc(OC(=O)CC(=O)[O-])cc1)NC(=O)CCC(=O)[O-]	ZINC000013472218	562987967	/nfs/dbraw/zinc/98/79/67/562987967.db2.gz	ILHKLTMDMLKVHO-INIZCTEOSA-N	-2	0	436.461	1.265	1	0		IDAFRL
Cc1c(Sc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)[nH]c2nc(N)nc(N)c12	ZINC000013675638	563000425	/nfs/dbraw/zinc/00/04/25/563000425.db2.gz	LLAPFSUYQVWFDD-NSHDSACASA-N	-2	0	444.473	1.630	1	0		IDAFRL
Cc1nc2ccc(NCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cn3)cc2c(=O)[nH]1	ZINC000013822823	563010256	/nfs/dbraw/zinc/01/02/56/563010256.db2.gz	CBGWWOZGYHJRAX-KRWDZBQOSA-N	-2	0	439.428	1.286	1	0		IDAFRL
O=C(CCc1cccc(NS(=O)(=O)[O-])c1)NCc1cccc(NS(=O)(=O)[O-])c1	ZINC000014952768	563015758	/nfs/dbraw/zinc/01/57/58/563015758.db2.gz	UWGCDTODPMLETQ-UHFFFAOYSA-N	-2	0	429.476	1.365	1	0	in-vitro	IDAFRL
COc1cc(COc2cc([O-])c3c(=O)cc(C(=O)[O-])oc3c2)ccc1NC(=O)C(=O)[O-]	ZINC000014980323	563017444	/nfs/dbraw/zinc/01/74/44/563017444.db2.gz	VPQTWQRHEYLDMH-UHFFFAOYSA-N	-3	0	429.337	1.808	1	0		IDAFRL
Nc1ncc2c(n1)NC[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)C2	ZINC000026580280	563034294	/nfs/dbraw/zinc/03/42/94/563034294.db2.gz	DKCUJHQRKRWPFM-BBRMVZONSA-N	-2	0	427.461	1.324	1	0		IDAFRL
O=C([O-])[C@@H](OC(=O)/C=C/c1cccc(O)c1)[C@H](OC(=O)/C=C/c1cccc(O)c1)C(=O)[O-]	ZINC000027556836	563043797	/nfs/dbraw/zinc/04/37/97/563043797.db2.gz	ZIWAYDVOTQRXHQ-OQIXQLRESA-N	-2	0	442.376	1.817	1	0		IDAFRL
CCCCCNC(=O)[C@@H](Cc1ccc(C=C(C(=O)[O-])C(=O)[O-])cc1)NC(=O)CCC(=O)[O-]	ZINC000027717320	563045728	/nfs/dbraw/zinc/04/57/28/563045728.db2.gz	CLMCAJVBLXHSQD-QGZVFWFLSA-N	-3	0	448.472	1.438	1	0		IDAFRL
C[C@@H]1COc2c(N3CCn4cc(C(=O)[O-])nc4C3)c(F)c(N)c3c(=O)c(C(=O)[O-])cn1c23	ZINC000029127170	563074808	/nfs/dbraw/zinc/07/48/08/563074808.db2.gz	MJSJRNGCDRYIGF-MRVPVSSYSA-N	-2	0	443.391	1.289	1	0		IDAFRL
O=C([O-])CN1c2ccccc2[S@@](=O)C[C@H](N[C@H](CCc2ccccc2)C(=O)[O-])C1=O	ZINC000029317654	563077713	/nfs/dbraw/zinc/07/77/13/563077713.db2.gz	IRIGUIXBPNPXDH-OXVFITQMSA-N	-2	0	430.482	1.270	1	0		IDAFRL
O=P([O-])([O-])O[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]1O[C@@H](c2ccccc2)C[C@@H]1O	ZINC000040510595	563104365	/nfs/dbraw/zinc/10/43/65/563104365.db2.gz	XNKURTYISKMSJH-AXFHLTTASA-N	-4	0	434.167	1.221	1	0		IDAFRL
O=P([O-])([O-])O[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]1O[C@@H](c2ccccc2)C[C@H]1O	ZINC000040510596	563104373	/nfs/dbraw/zinc/10/43/73/563104373.db2.gz	XNKURTYISKMSJH-MXWKQRLJSA-N	-4	0	434.167	1.221	1	0		IDAFRL
O=P([O-])([O-])O[P@](=O)([O-])O[P@](=O)([O-])OC[C@H]1O[C@@H](c2ccccc2)C[C@H]1O	ZINC000040510597	563104418	/nfs/dbraw/zinc/10/44/18/563104418.db2.gz	XNKURTYISKMSJH-GMTAPVOTSA-N	-4	0	434.167	1.221	1	0		IDAFRL
Nc1nc2sc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000042890550	563116056	/nfs/dbraw/zinc/11/60/56/563116056.db2.gz	SPLMCWYQFZQLIA-AWEZNQCLSA-N	-2	0	444.469	1.400	1	0		IDAFRL
Cc1c(Sc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)oc2nc(N)nc(N)c12	ZINC000045364267	563132875	/nfs/dbraw/zinc/13/28/75/563132875.db2.gz	FEZGMOSKDRYDFY-NSHDSACASA-N	-2	0	445.457	1.895	1	0		IDAFRL
Nc1ncnc2c1c(C1=C[C@H](O)CC=C1)nn2C1=CCCC([P@](=O)([O-])CC(=O)[O-])=C1	ZINC000026833186	581100420	/nfs/dbraw/zinc/10/04/20/581100420.db2.gz	IBWJTXKJZYMQCA-CYBMUJFWSA-N	-2	0	429.373	1.986	1	0		IDAFRL
Nc1nc(N)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)ccnc2n1	ZINC000001661562	562924290	/nfs/dbraw/zinc/92/42/90/562924290.db2.gz	PJJAAFHOIZFSDR-AWEZNQCLSA-N	-2	0	438.444	1.022	1	0		IDAFRL
O=C([O-])CN/N=c1\n(Cc2ccc(C(F)(F)F)cc2)c2ccccc2n1C(=O)C(=O)[O-]	ZINC000013470522	562987776	/nfs/dbraw/zinc/98/77/76/562987776.db2.gz	AVTVZIZTXXXGLB-HKOYGPOVSA-N	-2	0	436.346	1.725	1	0		IDAFRL
Cc1nc2ccc(COc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000013822835	563010215	/nfs/dbraw/zinc/01/02/15/563010215.db2.gz	OBLSYLNTJQYDFG-SFHVURJKSA-N	-2	0	439.424	1.858	1	0		IDAFRL
COc1cc(CCOc2cc([O-])c3c(=O)cc(C(=O)[O-])oc3c2)ccc1NC(=O)C(=O)[O-]	ZINC000014980330	563017420	/nfs/dbraw/zinc/01/74/20/563017420.db2.gz	WRJYYNLHGHGXDL-UHFFFAOYSA-N	-3	0	443.364	1.850	1	0		IDAFRL
O=C([O-])CN1c2ccccc2[S@](=O)C[C@H](N[C@H](CCc2ccccc2)C(=O)[O-])C1=O	ZINC000029317644	563077718	/nfs/dbraw/zinc/07/77/18/563077718.db2.gz	IRIGUIXBPNPXDH-KKUWSCMFSA-N	-2	0	430.482	1.270	1	0		IDAFRL
Cc1nc2ccc(CNc3cnc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=O)[nH]1	ZINC000029339412	563078343	/nfs/dbraw/zinc/07/83/43/563078343.db2.gz	ZACSMGRZQZVJSZ-CYBMUJFWSA-N	-2	0	445.457	1.760	1	0		IDAFRL
COc1ccc(/C=C/C(=O)O[C@H](C(=O)[O-])[C@](O)(Cc2ccc(O)cc2)C(=O)[O-])cc1O	ZINC000033985277	563085247	/nfs/dbraw/zinc/08/52/47/563085247.db2.gz	WBGMKAAMRFEBHK-PZTMCFHLSA-N	-2	0	432.381	1.174	1	0		IDAFRL
Nc1nc(=O)c(CCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(N)[nH]1	ZINC000040619799	563105623	/nfs/dbraw/zinc/10/56/23/563105623.db2.gz	VIDBFPRINLZXJK-ZDUSSCGKSA-N	-2	0	425.486	1.444	1	0		IDAFRL
COc1ccc(/C=C/C(=O)O[C@H](C(=O)[O-])[C@](O)(Cc2ccc(O)cc2)C(=O)[O-])cc1OC	ZINC000049784557	563139671	/nfs/dbraw/zinc/13/96/71/563139671.db2.gz	SQGQTKZMNQBRTK-GWJBRELFSA-N	-2	0	446.408	1.477	1	0		IDAFRL
C[C@@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-]	ZINC000003872849	562939173	/nfs/dbraw/zinc/93/91/73/562939173.db2.gz	BGSOJVFOEQLVMH-LXYRKZDWSA-N	-2	0	442.445	1.899	3	0	in-vitro	IDAFRL
O=P([O-])([O-])O[P@](=O)([O-])O[P@](=O)([O-])OC[C@H]1O[C@@H](c2ccccc2)C[C@@H]1O	ZINC000013492613	562990746	/nfs/dbraw/zinc/99/07/46/562990746.db2.gz	XNKURTYISKMSJH-HBNTYKKESA-N	-4	0	434.167	1.221	1	0		IDAFRL
C/C(=C\c1coc2nc(N)nc(N)c12)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000013809640	563008869	/nfs/dbraw/zinc/00/88/69/563008869.db2.gz	RDIKKVMTSXCIPF-PLWJUESGSA-N	-2	0	439.428	1.996	1	0		IDAFRL
Cc1nc2ccc(CNc3cnc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=O)[nH]1	ZINC000013821839	563010131	/nfs/dbraw/zinc/01/01/31/563010131.db2.gz	ZACSMGRZQZVJSZ-ZDUSSCGKSA-N	-2	0	445.457	1.348	1	0		IDAFRL
Nc1nc(N)c2cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s3)cnc2n1	ZINC000027215390	563041099	/nfs/dbraw/zinc/04/10/99/563041099.db2.gz	WKNPNKBUPKXMMF-LBPRGKRZSA-N	-2	0	444.473	1.084	1	0		IDAFRL
O=C([O-])[C@@H](OC(=O)/C=C/c1ccc(O)cc1)[C@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)[O-]	ZINC000027558828	563044055	/nfs/dbraw/zinc/04/40/55/563044055.db2.gz	BFEFLDQQDKPMIB-ACMGWLRLSA-N	-2	0	442.376	1.817	1	0		IDAFRL
CNc1nc(Cl)nc2c1ncn2[C@H]1C[C@@H](OC(C)=O)[C@]2(COP(=O)([O-])[O-])C[C@H]12	ZINC000027639042	563044972	/nfs/dbraw/zinc/04/49/72/563044972.db2.gz	QIHFSNBMUUILFV-VGAUDOQQSA-N	-2	0	431.773	1.514	1	0		IDAFRL
CCCCCNC(=O)[C@@H](Cc1ccc(OS(=O)(=O)[O-])cc1)NC(=O)CCC(=O)[O-]	ZINC000027657736	563045463	/nfs/dbraw/zinc/04/54/63/563045463.db2.gz	SIRQOBDEVFOULD-OAHLLOKOSA-N	-2	0	430.479	1.067	1	0		IDAFRL
C[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)[P@](=O)([O-])C[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000028566233	563058162	/nfs/dbraw/zinc/05/81/62/563058162.db2.gz	LYNDMOGSRPFTDM-OHWDUHJYSA-N	-3	0	427.346	1.727	1	0		IDAFRL
O=C([O-])CC[C@H](NC(=O)N[C@@H](CCCC[NH2+]Cc1ccc(F)cc1)C(=O)[O-])C(=O)[O-]	ZINC000040953732	563114263	/nfs/dbraw/zinc/11/42/63/563114263.db2.gz	CNKOHIAZHCDCNW-GJZGRUSLSA-N	-2	0	427.429	1.156	1	0		IDAFRL
O=C([O-])CC[C@@H](NC(=O)c1cccc(CNc2ccc(OCC(=O)[O-])cc2)c1)C(=O)[O-]	ZINC000072109759	563163264	/nfs/dbraw/zinc/16/32/64/563163264.db2.gz	VSCSQRYIDPBYNC-QGZVFWFLSA-N	-3	0	430.413	1.810	1	0		IDAFRL
O=C([O-])CNC(=O)c1ccc(NC(=S)Nc2ccc(C(=O)NCC(=O)[O-])cc2)cc1	ZINC000096928661	563198373	/nfs/dbraw/zinc/19/83/73/563198373.db2.gz	DLEPMIZOMCBTFW-UHFFFAOYSA-N	-2	0	430.442	1.124	1	0		IDAFRL
CN(Cc1coc2nc(N)nc(N)c12)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000003872649	562939180	/nfs/dbraw/zinc/93/91/80/562939180.db2.gz	WXINNGCGSCFUCR-CYBMUJFWSA-N	-2	0	442.432	1.071	1	0	in-vivo	IDAFRL
C[C@@H](Cc1coc2nc(N)nc(N)c12)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000013473303	562988193	/nfs/dbraw/zinc/98/81/93/562988193.db2.gz	HSGFDJRPCOJARA-HZMBPMFUSA-N	-2	0	441.444	1.781	1	0		IDAFRL
Nc1nc2ccc(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000013515262	562991039	/nfs/dbraw/zinc/99/10/39/562991039.db2.gz	UQFCLENKCDVITL-INIZCTEOSA-N	-2	0	439.428	1.165	1	0	in-vivo	IDAFRL
Nc1nc2occ(CCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(N)n1	ZINC000013586782	562995489	/nfs/dbraw/zinc/99/54/89/562995489.db2.gz	FIVQYIXYOHOMEF-AWEZNQCLSA-N	-2	0	441.444	1.610	1	0		IDAFRL
Nc1nc2c(c(=O)[nH]1)[C@@H](CCCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000013736735	563002443	/nfs/dbraw/zinc/00/24/43/563002443.db2.gz	WSOFBZAUJLUORC-BBRMVZONSA-N	-2	0	442.472	1.453	1	0		IDAFRL
Nc1nc(N)c2c(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cccc2n1	ZINC000013740543	563003168	/nfs/dbraw/zinc/00/31/68/563003168.db2.gz	SEARGORSCMRXLF-HNNXBMFYSA-N	-2	0	438.444	1.454	1	0		IDAFRL
Nc1ncc2c(n1)NC[C@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)C2	ZINC000026580279	563034280	/nfs/dbraw/zinc/03/42/80/563034280.db2.gz	DKCUJHQRKRWPFM-CJNGLKHVSA-N	-2	0	427.461	1.324	1	0		IDAFRL
O=C([O-])[C@H](OC(=O)/C=C/c1cccc(O)c1)[C@H](OC(=O)/C=C/c1cccc(O)c1)C(=O)[O-]	ZINC000027556834	563043787	/nfs/dbraw/zinc/04/37/87/563043787.db2.gz	ZIWAYDVOTQRXHQ-TXBNHIDXSA-N	-2	0	442.376	1.817	1	0		IDAFRL
Nc1nc2[nH]cc(CCCc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(N)n1	ZINC000027638145	563044910	/nfs/dbraw/zinc/04/49/10/563044910.db2.gz	WLGCEMWNUHSIIS-CQSZACIVSA-N	-2	0	440.460	1.345	1	0		IDAFRL
CNc1nc(Cl)nc2c1ncn2[C@H]1C[C@@H](OP(=O)([O-])[O-])[C@]2(COC(C)=O)C[C@H]12	ZINC000027636331	563044917	/nfs/dbraw/zinc/04/49/17/563044917.db2.gz	QCAPBWBCTSUZSO-VGAUDOQQSA-N	-2	0	431.773	1.514	1	0		IDAFRL
Nc1nc2c(c(N)n1)[C@@H](CCCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2	ZINC000027636937	563044923	/nfs/dbraw/zinc/04/49/23/563044923.db2.gz	AASSZQHMPNYSRW-UONOGXRCSA-N	-2	0	442.476	1.221	1	0		IDAFRL
Nc1nc2c(c(=O)[nH]1)C[C@@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000027766067	563047120	/nfs/dbraw/zinc/04/71/20/563047120.db2.gz	TXHRVJYDANXEGJ-SUMWQHHRSA-N	-2	0	442.472	1.138	1	0		IDAFRL
C[C@H]1COc2c(N3CCn4cc(C(=O)[O-])nc4C3)c(F)cc3c(=O)c(C(=O)[O-])cn1c32	ZINC000029127233	563074855	/nfs/dbraw/zinc/07/48/55/563074855.db2.gz	BSEIHXXYLAZKQU-VIFPVBQESA-N	-2	0	428.376	1.707	1	0		IDAFRL
Nc1nc2c(c(=O)[nH]1)[C@@H](CCCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000029388949	563078761	/nfs/dbraw/zinc/07/87/61/563078761.db2.gz	WSOFBZAUJLUORC-XJKSGUPXSA-N	-2	0	442.472	1.865	1	0		IDAFRL
O=C([O-])C1N=C(c2cscc2NC(=O)[N-]S(=O)(=O)c2ccccc2)NC(=O)C1=O	ZINC000003582321	562936519	/nfs/dbraw/zinc/93/65/19/562936519.db2.gz	MGZBIBOBYYINBG-UHFFFAOYSA-N	-2	0	436.427	1.413	1	0		IDAFRL
Nc1nc(=O)c(SCCCc2cccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c2)c(N)[nH]1	ZINC000008536419	562949566	/nfs/dbraw/zinc/94/95/66/562949566.db2.gz	YHRWDSHFZKASFT-LBPRGKRZSA-N	-2	0	449.489	1.119	1	0		IDAFRL
O=c1nc2n(c([O-])c1[C@@H](c1ccccc1)c1c([O-])nc3n(c1=O)CCS3)CCS2	ZINC000008829260	562964616	/nfs/dbraw/zinc/96/46/16/562964616.db2.gz	XLDGEEWAVVVKQN-NSHDSACASA-N	-2	0	428.495	1.603	1	0		IDAFRL
NC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc2cc(C(F)(F)P(=O)([O-])[O-])ccc2c1	ZINC000012503854	562982591	/nfs/dbraw/zinc/98/25/91/562982591.db2.gz	OWWCIKSGGKYNHT-CYBMUJFWSA-N	-3	0	430.300	1.515	1	0		IDAFRL
O=C([O-])CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1)C(=O)[O-]	ZINC000027518470	563042606	/nfs/dbraw/zinc/04/26/06/563042606.db2.gz	AWHLGVTWEJVRIH-OALUTQOASA-N	-2	0	426.469	1.781	1	0		IDAFRL
CNc1nc(Cl)nc2c1ncn2C[C@H](COC(=O)C(C)(C)C)COP(=O)([O-])[O-]	ZINC000027647714	563045176	/nfs/dbraw/zinc/04/51/76/563045176.db2.gz	WVCMKVJFEBYRMS-SECBINFHSA-N	-2	0	435.805	1.836	1	0		IDAFRL
Nc1nc2ccc(CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000028258717	563052470	/nfs/dbraw/zinc/05/24/70/563052470.db2.gz	UQFCLENKCDVITL-MRXNPFEDSA-N	-2	0	439.428	1.165	1	0	in-vivo	IDAFRL
Cc1ccc(S(=O)(=O)N[C@H](CCC(=O)N2c3ccccc3C[C@H]2C(=O)[O-])C(=O)[O-])cc1	ZINC000029344744	563078696	/nfs/dbraw/zinc/07/86/96/563078696.db2.gz	DWRONYCLVYFYRO-AEFFLSMTSA-N	-2	0	446.481	1.549	1	0		IDAFRL
O=C([O-])C[C@@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc(I)cc1	ZINC000029407716	563079611	/nfs/dbraw/zinc/07/96/11/563079611.db2.gz	ZPUXTYBTURREJI-MRVPVSSYSA-N	-2	0	430.120	1.752	1	0		IDAFRL
O=C([O-])CC[C@H](NC(=O)c1ccc(NCc2ccc3nn[nH]c(=O)c3c2)cc1)C(=O)[O-]	ZINC000008577219	562949603	/nfs/dbraw/zinc/94/96/03/562949603.db2.gz	YKORUANEKZOBMT-INIZCTEOSA-N	-2	0	425.401	1.390	1	0		IDAFRL
C[C@H](Cc1coc2nc(N)nc(N)c12)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000013473304	562988220	/nfs/dbraw/zinc/98/82/20/562988220.db2.gz	HSGFDJRPCOJARA-YGRLFVJLSA-N	-2	0	441.444	1.781	1	0		IDAFRL
O=C([O-])CC[C@H](NC(=O)c1ccc(CC[C@@H]2CNc3nc[nH]c(=O)c3C2)cc1)C(=O)[O-]	ZINC000013514525	562991100	/nfs/dbraw/zinc/99/11/00/562991100.db2.gz	UCHCGCQTCQNVGW-BBRMVZONSA-N	-2	0	428.445	1.035	1	0		IDAFRL
Nc1nc2ccc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000017106168	563021362	/nfs/dbraw/zinc/02/13/62/563021362.db2.gz	NTXFUSSIFLLBCE-KRWDZBQOSA-N	-2	0	438.440	1.338	1	0		IDAFRL
CNc1nc(Cl)nc2c1ncn2C[C@@H](COC(=O)C(C)(C)C)COP(=O)([O-])[O-]	ZINC000027647709	563045166	/nfs/dbraw/zinc/04/51/66/563045166.db2.gz	WVCMKVJFEBYRMS-VIFPVBQESA-N	-2	0	435.805	1.836	1	0		IDAFRL
CC(C)C[C@H](C[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@@H](O)N[C@@H](N)C(=O)[O-]	ZINC000027890209	563048073	/nfs/dbraw/zinc/04/80/73/563048073.db2.gz	VOENIXXZJQNKKG-BZUAXINKSA-N	-2	0	431.426	1.080	1	0		IDAFRL
O=C([O-])CCNC(=O)Nc1cc2c3c(C(=O)[O-])c(C(=O)[O-])nn3c(=O)[nH]c2cc1Cl	ZINC000029061235	563073713	/nfs/dbraw/zinc/07/37/13/563073713.db2.gz	XTPMDAVRVJTKCO-UHFFFAOYSA-N	-3	0	437.752	1.234	1	0		IDAFRL
NC1=NC(=O)C(CCCCc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)C(=O)N1	ZINC000040465964	563103893	/nfs/dbraw/zinc/10/38/93/563103893.db2.gz	ZOTCNCWVYGUWHD-AWEZNQCLSA-N	-2	0	432.433	1.083	1	0		IDAFRL
CCCCn1cnnc1[N-]S(=O)(=O)c1cc(C(N)=O)c(Cl)cc1SCC(=O)[O-]	ZINC000003611263	562936793	/nfs/dbraw/zinc/93/67/93/562936793.db2.gz	INQOHFWIGIKROH-UHFFFAOYSA-N	-2	0	447.926	1.808	1	0		IDAFRL
Nc1nc2[nH]cc(CCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(=O)[nH]1	ZINC000006142378	562946219	/nfs/dbraw/zinc/94/62/19/562946219.db2.gz	LICPJBQGYLPBOC-AWEZNQCLSA-N	-2	0	441.444	1.057	1	0		IDAFRL
CCCCCNC(=O)[C@H](Cc1ccc(C=C(C(=O)[O-])C(=O)[O-])cc1)NC(=O)CCC(=O)[O-]	ZINC000013472224	562987908	/nfs/dbraw/zinc/98/79/08/562987908.db2.gz	CLMCAJVBLXHSQD-KRWDZBQOSA-N	-3	0	448.472	1.438	1	0		IDAFRL
CCCCCNC(=O)[C@H](Cc1ccc(OS(=O)(=O)[O-])cc1)NC(=O)CCC(=O)[O-]	ZINC000013472212	562987919	/nfs/dbraw/zinc/98/79/19/562987919.db2.gz	SIRQOBDEVFOULD-HNNXBMFYSA-N	-2	0	430.479	1.067	1	0		IDAFRL
Nc1nc2c(c(=O)[nH]1)C[C@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000013515263	562991031	/nfs/dbraw/zinc/99/10/31/562991031.db2.gz	TXHRVJYDANXEGJ-DYVFJYSZSA-N	-2	0	442.472	1.138	1	0		IDAFRL
Nc1ncnc2c1c(-c1cccc(O)c1)nn2-c1cccc([P@](=O)([O-])CC(=O)[O-])c1	ZINC000013538687	562992633	/nfs/dbraw/zinc/99/26/33/562992633.db2.gz	KOCACZCSRDTEKF-UHFFFAOYSA-N	-2	0	425.341	1.751	1	0		IDAFRL
Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000013586662	562995443	/nfs/dbraw/zinc/99/54/43/562995443.db2.gz	DSIACOJIIGFHHZ-NSHDSACASA-N	-2	0	445.457	1.341	1	0		IDAFRL
Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026388981	563031644	/nfs/dbraw/zinc/03/16/44/563031644.db2.gz	DSIACOJIIGFHHZ-LLVKDONJSA-N	-2	0	445.457	1.341	1	0		IDAFRL
Nc1nc2c(c(=O)[nH]1)[C@@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000029391731	563079007	/nfs/dbraw/zinc/07/90/07/563079007.db2.gz	UHHNBPRUPMUDTH-SWLSCSKDSA-N	-2	0	428.445	1.475	1	0		IDAFRL
Nc1cc(N)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)coc2n1	ZINC000029561521	563082403	/nfs/dbraw/zinc/08/24/03/563082403.db2.gz	JTBQUEMZJXWQEI-HNNXBMFYSA-N	-2	0	426.429	1.825	1	0		IDAFRL
Nc1nc2occ(CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(N)n1	ZINC000032017223	563084007	/nfs/dbraw/zinc/08/40/07/563084007.db2.gz	ACXZKUHGYNILFP-GFCCVEGCSA-N	-2	0	428.405	1.047	1	0		IDAFRL
CC(C)C[C@H](C[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@H](O)N[C@H](N)C(=O)[O-]	ZINC000040520262	563104359	/nfs/dbraw/zinc/10/43/59/563104359.db2.gz	VOENIXXZJQNKKG-PMPSAXMXSA-N	-2	0	431.426	1.080	1	0		IDAFRL
O=C([O-])CC[C@H](NC(=O)N[C@@H](CCCC[NH2+]Cc1ccc(Cl)cc1)C(=O)[O-])C(=O)[O-]	ZINC000040954991	563114564	/nfs/dbraw/zinc/11/45/64/563114564.db2.gz	WXQQOZABOOIEOS-GJZGRUSLSA-N	-2	0	443.884	1.670	1	0		IDAFRL
CC(C)C[C@H](NC(=O)[C@H](C)N[P@](=O)([O-])CNC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000058655594	563145981	/nfs/dbraw/zinc/14/59/81/563145981.db2.gz	RFIATXCLWWIOFV-ZFWWWQNUSA-N	-2	0	429.410	1.649	1	0	in-vitro	IDAFRL
C[C@@](O)(/C=C/[C@@H]1CC=CC(=O)O1)[C@@H](C[C@@H](O)/C=C\C=C/C=C/CO)OP(=O)([O-])[O-]	ZINC000013683311	560220164	/nfs/dbraw/zinc/22/01/64/560220164.db2.gz	ZMQRJWIYMXZORG-GZIFKOAOSA-N	-2	0	430.390	1.055	1	0	in-vitro	IDAFRL
Nc1nc2c(c(=O)[nH]1)C[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000013515264	562991035	/nfs/dbraw/zinc/99/10/35/562991035.db2.gz	TXHRVJYDANXEGJ-GUYCJALGSA-N	-2	0	442.472	1.138	1	0		IDAFRL
Nc1nc2[nH]c(CCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000013586783	562995386	/nfs/dbraw/zinc/99/53/86/562995386.db2.gz	QLSVPQAGJDLITE-HNNXBMFYSA-N	-2	0	441.444	1.057	1	0		IDAFRL
Cc1nc2ccc(NCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000013822805	563010236	/nfs/dbraw/zinc/01/02/36/563010236.db2.gz	WWFOGBARRXMOAO-SFHVURJKSA-N	-2	0	438.440	1.891	1	0		IDAFRL
Cc1nc2ccc(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000013822803	563010281	/nfs/dbraw/zinc/01/02/81/563010281.db2.gz	XNMGBFXZWCNZAA-SFHVURJKSA-N	-2	0	438.440	1.891	1	0		IDAFRL
Nc1nc(N)c2cc(CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)ccc2n1	ZINC000017174553	563021427	/nfs/dbraw/zinc/02/14/27/563021427.db2.gz	IOLLERXPKZGYRA-MRXNPFEDSA-N	-2	0	438.444	1.454	1	0		IDAFRL
Nc1nc(N)c2cc(CCc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s3)cnc2n1	ZINC000027215393	563041132	/nfs/dbraw/zinc/04/11/32/563041132.db2.gz	WKNPNKBUPKXMMF-GFCCVEGCSA-N	-2	0	444.473	1.084	1	0		IDAFRL
O=C([O-])c1nn(-c2ccc(I)c(C(F)(F)F)c2)c(=O)[n-]c1=O	ZINC000027979673	563048560	/nfs/dbraw/zinc/04/85/60/563048560.db2.gz	HJBZCOOOPVDGLU-UHFFFAOYSA-N	-2	0	427.076	1.242	1	0		IDAFRL
O=C([O-])CC[C@@H](NC(=O)c1ccc(OCc2ccc3nc[nH]c(=O)c3c2)cc1)C(=O)[O-]	ZINC000027995762	563049098	/nfs/dbraw/zinc/04/90/98/563049098.db2.gz	SBHZEAREFBGFNL-QGZVFWFLSA-N	-2	0	425.397	1.550	1	0		IDAFRL
O=C([O-])CN1c2ccccc2[S@](=O)C[C@H](N[C@@H](CCc2ccccc2)C(=O)[O-])C1=O	ZINC000029317639	563077704	/nfs/dbraw/zinc/07/77/04/563077704.db2.gz	IRIGUIXBPNPXDH-JDWNHOKZSA-N	-2	0	430.482	1.270	1	0		IDAFRL
O=C([O-])[C@@H](CCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-])NS(=O)(=O)Cc1ccccc1	ZINC000029339008	563078404	/nfs/dbraw/zinc/07/84/04/563078404.db2.gz	IJDHZHGDNJGLMG-AEFFLSMTSA-N	-2	0	446.481	1.382	1	0		IDAFRL
CCc1nc(N)nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c21	ZINC000001553987	562922948	/nfs/dbraw/zinc/92/29/48/562922948.db2.gz	HAHWOBDKTAQBFE-INIZCTEOSA-N	-2	0	439.472	1.936	1	0		IDAFRL
Nc1nc2ccc(CCc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000005385742	562943957	/nfs/dbraw/zinc/94/39/57/562943957.db2.gz	NTXFUSSIFLLBCE-QGZVFWFLSA-N	-2	0	438.440	1.751	1	0		IDAFRL
O=C([O-])CNn1c(=O)c(/C=C/c2c(O)ccc3ccccc32)nnc1SCC(=O)[O-]	ZINC000006018771	562945839	/nfs/dbraw/zinc/94/58/39/562945839.db2.gz	GSDKSQIJQVXAFB-VOTSOKGWSA-N	-2	0	428.426	1.472	1	0		IDAFRL
CC(C)C[C@H](N[P@](=O)([O-])CNC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000013651478	562999149	/nfs/dbraw/zinc/99/91/49/562999149.db2.gz	DVNAMUNBHDIPLR-ZFWWWQNUSA-N	-2	0	429.410	1.649	1	0	in-vitro	IDAFRL
Nc1nc(N)c2cc(CCc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cnc2n1	ZINC000027215169	563041158	/nfs/dbraw/zinc/04/11/58/563041158.db2.gz	RGUQKUKRLMXLCM-OAHLLOKOSA-N	-2	0	438.444	1.022	1	0		IDAFRL
O=C([O-])[C@H](OC(=O)/C=C/c1ccc(O)cc1)[C@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)[O-]	ZINC000027558826	563044031	/nfs/dbraw/zinc/04/40/31/563044031.db2.gz	BFEFLDQQDKPMIB-IGNBJZDHSA-N	-2	0	442.376	1.817	1	0		IDAFRL
CN(Cc1ccc2nc[nH]c(=O)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027979173	563048539	/nfs/dbraw/zinc/04/85/39/563048539.db2.gz	UZZGFTFRTUNGAL-GOSISDBHSA-N	-2	0	438.440	1.607	1	0		IDAFRL
C[C@@H](N[P@@](=O)([O-])OC[C@@H]1C=C[C@H](n2cnc3c2nc(N)nc3NC2CC2)C1)C(=O)[O-]	ZINC000028520344	563055866	/nfs/dbraw/zinc/05/58/66/563055866.db2.gz	RBWKRPXNZCXHHH-FOGDFJRCSA-N	-2	0	437.397	1.280	1	0		IDAFRL
C[C@@H](CS(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])S(=O)(=O)c1ccc2ccccc2c1	ZINC000045484846	563134276	/nfs/dbraw/zinc/13/42/76/563134276.db2.gz	FPHXONUGQOBZKE-BLLLJJGKSA-N	-2	0	443.499	1.239	1	0		IDAFRL
C[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)[P@](=O)([O-])C[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000058550886	563144460	/nfs/dbraw/zinc/14/44/60/563144460.db2.gz	LYNDMOGSRPFTDM-MEJBXROZSA-N	-3	0	427.346	1.727	1	0		IDAFRL
O=C([O-])CC[C@H](NC(=O)c1ccc(CC[C@H]2CNc3nc[nH]c(=O)c3C2)cc1)C(=O)[O-]	ZINC000013514527	562991090	/nfs/dbraw/zinc/99/10/90/562991090.db2.gz	UCHCGCQTCQNVGW-CJNGLKHVSA-N	-2	0	428.445	1.035	1	0		IDAFRL
O=C([O-])[C@H](OC(=O)/C=C/c1cccc(O)c1)[C@@H](OC(=O)/C=C/c1cccc(O)c1)C(=O)[O-]	ZINC000013556377	562993212	/nfs/dbraw/zinc/99/32/12/562993212.db2.gz	ZIWAYDVOTQRXHQ-VKTZZKDBSA-N	-2	0	442.376	1.817	1	0		IDAFRL
Nc1nc2c(c(=O)[nH]1)[C@H](CCCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000013736737	563002447	/nfs/dbraw/zinc/00/24/47/563002447.db2.gz	WSOFBZAUJLUORC-CJNGLKHVSA-N	-2	0	442.472	1.453	1	0		IDAFRL
CCO[P@](=O)([O-])N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)[O-])[C@@H](C)CC	ZINC000026655367	563034813	/nfs/dbraw/zinc/03/48/13/563034813.db2.gz	NDOUXKPDTALAKK-QRTARXTBSA-N	-2	0	443.437	1.056	1	0		IDAFRL
CNc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](OC(C)=O)[C@]2(COP(=O)([O-])[O-])C[C@H]12	ZINC000027639047	563044999	/nfs/dbraw/zinc/04/49/99/563044999.db2.gz	QIHFSNBMUUILFV-HTQGBYLWSA-N	-2	0	431.773	1.514	1	0		IDAFRL
CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)N[C@H](CC(=O)[O-])C(=O)[O-])n1	ZINC000028457610	563054769	/nfs/dbraw/zinc/05/47/69/563054769.db2.gz	FRWZKRLEMTXUMX-MRXNPFEDSA-N	-2	0	430.413	1.789	1	0		IDAFRL
O=C([O-])C[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc(I)cc1	ZINC000029407718	563079606	/nfs/dbraw/zinc/07/96/06/563079606.db2.gz	ZPUXTYBTURREJI-QMMMGPOBSA-N	-2	0	430.120	1.752	1	0		IDAFRL
O=C([O-])C(=O)N[C@H](Cc1ccc(OCC(=O)c2ccc(N3CCCC3)cc2)cc1)C(=O)[O-]	ZINC000045374255	563133639	/nfs/dbraw/zinc/13/36/39/563133639.db2.gz	MXWXMANEMYOKGH-LJQANCHMSA-N	-2	0	440.452	1.745	1	0		IDAFRL
Nc1nc2ncc(N(CCC[P@@](=O)([O-])O)Cc3ccc(C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000066079502	563157866	/nfs/dbraw/zinc/15/78/66/563157866.db2.gz	VHYFOYIUHDKUTI-UHFFFAOYSA-N	-2	0	433.361	1.173	1	0		IDAFRL
Nc1ncnc2c1c(C1=C[C@@H](O)CC=C1)nn2C1=CCCC([P@](=O)([O-])CC(=O)[O-])=C1	ZINC000026833178	581100357	/nfs/dbraw/zinc/10/03/57/581100357.db2.gz	IBWJTXKJZYMQCA-ZDUSSCGKSA-N	-2	0	429.373	1.986	1	0		IDAFRL
CC(C)(CNC(=O)/C(Cl)=C(/Cl)C(=O)[O-])CNC(=O)/C(Cl)=C(/Cl)C(=O)[O-]	ZINC000005922295	562945297	/nfs/dbraw/zinc/94/52/97/562945297.db2.gz	FZUBRGFRQSCSQX-SFECMWDFSA-N	-2	0	436.075	1.793	1	0		IDAFRL
Nc1nc2c(c(=O)[nH]1)[C@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000013736741	563002420	/nfs/dbraw/zinc/00/24/20/563002420.db2.gz	UHHNBPRUPMUDTH-DOMZBBRYSA-N	-2	0	428.445	1.063	1	0		IDAFRL
CNc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](OP(=O)([O-])[O-])[C@]2(COC(C)=O)C[C@H]12	ZINC000027636337	563044912	/nfs/dbraw/zinc/04/49/12/563044912.db2.gz	QCAPBWBCTSUZSO-HTQGBYLWSA-N	-2	0	431.773	1.514	1	0		IDAFRL
CN(Cc1ccc2nc[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027979168	563048556	/nfs/dbraw/zinc/04/85/56/563048556.db2.gz	UZZGFTFRTUNGAL-SFHVURJKSA-N	-2	0	438.440	1.607	1	0		IDAFRL
CCCCOc1c(OC)cc(CN(CCN(CC(=O)[O-])CC(=O)[O-])C(=O)[O-])cc1OC	ZINC000029217891	563076720	/nfs/dbraw/zinc/07/67/20/563076720.db2.gz	UIRPYYQPGSNXFX-UHFFFAOYSA-N	-3	0	442.465	1.834	1	0		IDAFRL
O=C([O-])CC[C@H](NC(=O)N[C@@H](CCCC[NH2+]Cc1cccc(Cl)c1)C(=O)[O-])C(=O)[O-]	ZINC000040974105	563115143	/nfs/dbraw/zinc/11/51/43/563115143.db2.gz	HKCPAWLISGYKTE-GJZGRUSLSA-N	-2	0	443.884	1.670	1	0		IDAFRL
COc1c([O-])c2c(=O)cc(O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)cc-2oc1-c1ccc(O)cc1	ZINC000059768018	291323556	/nfs/dbraw/zinc/32/35/56/291323556.db2.gz	BIFYEBAZZKWGEE-XWWUPDIOSA-N	-2	0	446.408	1.086	1	0	biogenic,in-vitro	IDAFRL
Nc1nc2occ(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(N)n1	ZINC000001893407	562925245	/nfs/dbraw/zinc/92/52/45/562925245.db2.gz	XMILWEOSKUGJJX-ZDUSSCGKSA-N	-2	0	427.417	1.220	1	0		IDAFRL
O=C([O-])[C@H](OC(=O)/C=C/c1ccc(O)cc1)[C@@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)[O-]	ZINC000013556379	562993198	/nfs/dbraw/zinc/99/31/98/562993198.db2.gz	BFEFLDQQDKPMIB-CDPNRWFJSA-N	-2	0	442.376	1.817	1	0		IDAFRL
Nc1nc(N)c2nc(CCc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)ccc2n1	ZINC000027209769	563040978	/nfs/dbraw/zinc/04/09/78/563040978.db2.gz	COVDXGKJVVADHM-OAHLLOKOSA-N	-2	0	438.444	1.022	1	0		IDAFRL
Nc1nc2c(c(N)n1)[C@H](CCCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2	ZINC000027636942	563044890	/nfs/dbraw/zinc/04/48/90/563044890.db2.gz	AASSZQHMPNYSRW-ZIAGYGMSSA-N	-2	0	442.476	1.221	1	0		IDAFRL
Nc1nc2c(c(=O)[nH]1)[C@H](CCCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000029388952	563078774	/nfs/dbraw/zinc/07/87/74/563078774.db2.gz	WSOFBZAUJLUORC-CZUORRHYSA-N	-2	0	442.472	1.865	1	0		IDAFRL
Nc1nc2c(c(=O)[nH]1)[C@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000029391734	563079028	/nfs/dbraw/zinc/07/90/28/563079028.db2.gz	UHHNBPRUPMUDTH-IUODEOHRSA-N	-2	0	428.445	1.475	1	0		IDAFRL
Nc1cc(N)c2c(CCc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)coc2n1	ZINC000029561523	563082396	/nfs/dbraw/zinc/08/23/96/563082396.db2.gz	JTBQUEMZJXWQEI-OAHLLOKOSA-N	-2	0	426.429	1.825	1	0		IDAFRL
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(Cn4[n-]c(C)cc4=O)CC3)cc21	ZINC000040976993	563115486	/nfs/dbraw/zinc/11/54/86/563115486.db2.gz	IOUVUUMDKABZJQ-UHFFFAOYSA-N	-2	0	429.452	1.546	1	0		IDAFRL
CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(C[C@@H](NC(=O)C(=O)[O-])C(=O)[O-])cc2)cc1	ZINC000045368940	563133238	/nfs/dbraw/zinc/13/32/38/563133238.db2.gz	GZIYVGKVNVGZAL-QGZVFWFLSA-N	-2	0	449.481	1.948	1	0		IDAFRL
Cc1nc2ccc(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=O)[nH]1	ZINC000013821821	563010173	/nfs/dbraw/zinc/01/01/73/563010173.db2.gz	HXAMMRRSUKCSQJ-AWEZNQCLSA-N	-2	0	444.469	1.953	1	0		IDAFRL
Nc1nc(N)c2cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cnc2n1	ZINC000027215165	563041100	/nfs/dbraw/zinc/04/11/00/563041100.db2.gz	RGUQKUKRLMXLCM-HNNXBMFYSA-N	-2	0	438.444	1.022	1	0		IDAFRL
Nc1nc2c(c(=O)[nH]1)C[C@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000027766075	563047129	/nfs/dbraw/zinc/04/71/29/563047129.db2.gz	TXHRVJYDANXEGJ-CXAGYDPISA-N	-2	0	442.472	1.138	1	0		IDAFRL
CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])n1	ZINC000028457608	563054777	/nfs/dbraw/zinc/05/47/77/563054777.db2.gz	FRWZKRLEMTXUMX-INIZCTEOSA-N	-2	0	430.413	1.789	1	0		IDAFRL
Nc1nc2[nH]cc(CCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s3)c2c(=O)[nH]1	ZINC000034504952	563086402	/nfs/dbraw/zinc/08/64/02/563086402.db2.gz	HQPQAUMWVMDRCN-NSHDSACASA-N	-2	0	447.473	1.118	1	0		IDAFRL
O=C([O-])CCCOc1ccc2cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])ccc2c1	ZINC000040860816	563108009	/nfs/dbraw/zinc/10/80/09/563108009.db2.gz	ZYBZFXJTAPHSQV-MRXNPFEDSA-N	-3	0	439.442	1.680	1	0		IDAFRL