smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(=O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)C2	ZINC000001532932	562922453	/nfs/dbraw/zinc/92/24/53/562922453.db2.gz	XQZVRAWIARJOCJ-HZMBPMFUSA-N	-2	0	444.448	0.096	1	0		ICAFRL
Nc1nc(N)c2nc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s3)cnc2n1	ZINC000001537969	562922565	/nfs/dbraw/zinc/92/25/65/562922565.db2.gz	NZXYSSLQUHXLRF-JTQLQIEISA-N	-2	0	445.461	0.479	1	0		ICAFRL
Nc1nc(=O)c(SCCCc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c(N)[nH]1	ZINC000001539228	562922537	/nfs/dbraw/zinc/92/25/37/562922537.db2.gz	GCOANCQEKIHPTN-LBPRGKRZSA-N	-2	0	449.489	0.707	1	0		ICAFRL
Nc1nc(=O)c(SCCc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s2)c(N)[nH]1	ZINC000001539235	562922640	/nfs/dbraw/zinc/92/26/40/562922640.db2.gz	ZZZQDZDFSDBALW-QMMMGPOBSA-N	-2	0	441.491	0.378	1	0		ICAFRL
Nc1nc(=O)c(SCCc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c(N)[nH]1	ZINC000001539236	562922671	/nfs/dbraw/zinc/92/26/71/562922671.db2.gz	YWGRCFRASVBSOU-NSHDSACASA-N	-2	0	435.462	0.317	1	0		ICAFRL
Nc1nc(N)c2c(n1)NC[C@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)C2	ZINC000001545199	562922751	/nfs/dbraw/zinc/92/27/51/562922751.db2.gz	JVKOZIXIYHORFY-DOMZBBRYSA-N	-2	0	442.476	0.906	1	0		ICAFRL
Nc1nc2ccc(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)nc2c(=O)[nH]1	ZINC000001567048	562923042	/nfs/dbraw/zinc/92/30/42/562923042.db2.gz	PEIIBFVUZRSFNO-AWEZNQCLSA-N	-2	0	440.416	0.560	1	0		ICAFRL
Nc1nc(N)c2nc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cnc2n1	ZINC000001570371	562923032	/nfs/dbraw/zinc/92/30/32/562923032.db2.gz	LGFLRHWJJKLPCC-ZDUSSCGKSA-N	-2	0	439.432	0.417	1	0	in-vivo	ICAFRL
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)ccc2n1	ZINC000001579952	562923093	/nfs/dbraw/zinc/92/30/93/562923093.db2.gz	FFNKBHOXODTCMK-AWEZNQCLSA-N	-2	0	439.432	0.849	1	0		ICAFRL
Nc1nc2ncc(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000001579968	562923106	/nfs/dbraw/zinc/92/31/06/562923106.db2.gz	NFARHPAOOHOWAL-AWEZNQCLSA-N	-2	0	440.416	0.560	1	0	in-vitro	ICAFRL
O=C(c1ccc(-c2ccc(C(=O)[C@@H](O)S(=O)(=O)[O-])cc2)cc1)[C@@H](O)S(=O)(=O)[O-]	ZINC000001614319	562923086	/nfs/dbraw/zinc/92/30/86/562923086.db2.gz	MFQYILXBRZFYLI-HOTGVXAUSA-N	-2	0	430.412	0.131	1	0		ICAFRL
O=C(c1ccc(-c2ccc(C(=O)[C@@H](O)S(=O)(=O)[O-])cc2)cc1)[C@H](O)S(=O)(=O)[O-]	ZINC000001614321	562923127	/nfs/dbraw/zinc/92/31/27/562923127.db2.gz	MFQYILXBRZFYLI-IYBDPMFKSA-N	-2	0	430.412	0.131	1	0		ICAFRL
O=C(c1ccc(-c2ccc(C(=O)[C@H](O)S(=O)(=O)[O-])cc2)cc1)[C@H](O)S(=O)(=O)[O-]	ZINC000001614322	562923083	/nfs/dbraw/zinc/92/30/83/562923083.db2.gz	MFQYILXBRZFYLI-HZPDHXFCSA-N	-2	0	430.412	0.131	1	0		ICAFRL
Nc1nc2c(c(=O)[nH]1)C[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000001615472	562923204	/nfs/dbraw/zinc/92/32/04/562923204.db2.gz	YHGIDLAAAKFSTP-ZBEGNZNMSA-N	-2	0	443.460	0.617	1	0		ICAFRL
Nc1nc2c(c(=O)[nH]1)C[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000001615473	562923183	/nfs/dbraw/zinc/92/31/83/562923183.db2.gz	YHGIDLAAAKFSTP-BZNIZROVSA-N	-2	0	443.460	0.617	1	0		ICAFRL
Nc1nc2c(c(=O)[nH]1)C[C@@H](CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000001615474	562923160	/nfs/dbraw/zinc/92/31/60/562923160.db2.gz	YHGIDLAAAKFSTP-MEDUHNTESA-N	-2	0	443.460	0.617	1	0		ICAFRL
Nc1nc2c(c(=O)[nH]1)C[C@H](CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000001615475	562923207	/nfs/dbraw/zinc/92/32/07/562923207.db2.gz	YHGIDLAAAKFSTP-BDJLRTHQSA-N	-2	0	443.460	0.617	1	0		ICAFRL
Nc1nc(N)c2cc(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cnc2n1	ZINC000001702726	562924503	/nfs/dbraw/zinc/92/45/03/562924503.db2.gz	QLPRLGAHKHCVEW-AWEZNQCLSA-N	-2	0	439.432	0.849	1	0		ICAFRL
Nc1nc(N)c2nc(COc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cnc2n1	ZINC000001765969	562924604	/nfs/dbraw/zinc/92/46/04/562924604.db2.gz	OXQRBFXBEFIQLR-LBPRGKRZSA-N	-2	0	441.404	0.211	1	0		ICAFRL
Nc1nc(N)c2c(n1)NC[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)C2	ZINC000003935757	562939494	/nfs/dbraw/zinc/93/94/94/562939494.db2.gz	JVKOZIXIYHORFY-WFASDCNBSA-N	-2	0	442.476	0.906	1	0		ICAFRL
CNc1nc(Cl)nc2c1ncn2CCC(COP(=O)([O-])[O-])COP(=O)([O-])[O-]	ZINC000003972773	562940147	/nfs/dbraw/zinc/94/01/47/562940147.db2.gz	PNKXGOOONVKRHI-UHFFFAOYSA-N	-4	0	445.693	0.746	1	0		ICAFRL
CN(CCCc1c(N)[nH]c(N)nc1=O)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000004642667	562943485	/nfs/dbraw/zinc/94/34/85/562943485.db2.gz	FSMSLEVHAQLDLW-AWEZNQCLSA-N	-2	0	446.464	0.051	1	0		ICAFRL
Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])ccc1NCCCc1c(N)[nH]c(N)nc1=O	ZINC000004769884	562943556	/nfs/dbraw/zinc/94/35/56/562943556.db2.gz	QCYMBNSAURMPDS-AWEZNQCLSA-N	-2	0	446.464	0.335	1	0		ICAFRL
Nc1nc(=O)c(CCCCNc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c(N)[nH]1	ZINC000004769887	562943569	/nfs/dbraw/zinc/94/35/69/562943569.db2.gz	PRFWJWXSGBDTCD-AWEZNQCLSA-N	-2	0	446.464	0.417	1	0		ICAFRL
Nc1nc(=O)c(CCCSc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c(N)[nH]1	ZINC000004770686	562943549	/nfs/dbraw/zinc/94/35/49/562943549.db2.gz	GBCOEYCVWATBTJ-ZDUSSCGKSA-N	-2	0	449.489	0.707	1	0		ICAFRL
Nc1nc(=O)c(CCCCc2csc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c2)c(N)[nH]1	ZINC000004770739	562943533	/nfs/dbraw/zinc/94/35/33/562943533.db2.gz	ZQBPZVWLVLMTNM-NSHDSACASA-N	-2	0	437.478	0.609	1	0		ICAFRL
Nc1nc(=O)c(CCCCc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s2)c(N)[nH]1	ZINC000004770741	562943544	/nfs/dbraw/zinc/94/35/44/562943544.db2.gz	VTFVCZVKRQMYHW-NSHDSACASA-N	-2	0	437.478	0.609	1	0		ICAFRL
NC(=O)NC(=O)c1cccc(CNc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)n1	ZINC000005582842	562944355	/nfs/dbraw/zinc/94/43/55/562944355.db2.gz	POYZJQVSNARVFS-HNNXBMFYSA-N	-2	0	443.416	0.550	1	0		ICAFRL
Nc1nc(=O)c(CCCCc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c(N)[nH]1	ZINC000006142375	562946237	/nfs/dbraw/zinc/94/62/37/562946237.db2.gz	LNUHUIPUTGDPDG-AWEZNQCLSA-N	-2	0	431.449	0.548	1	0	in-vivo	ICAFRL
Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s3)c2c(=O)[nH]1	ZINC000006142443	562946215	/nfs/dbraw/zinc/94/62/15/562946215.db2.gz	CTSPVOIVQCLQLX-JTQLQIEISA-N	-2	0	433.446	0.728	1	0		ICAFRL
Nc1nc2[nH]cc(CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(N)n1	ZINC000008602412	562955763	/nfs/dbraw/zinc/95/57/63/562955763.db2.gz	NVNGVVOWLVRFNV-GFCCVEGCSA-N	-2	0	427.421	0.782	1	0		ICAFRL
Nc1ccc(C(=O)N[C@@H](CC[P@@](=O)([O-])O[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])cc1	ZINC000013445481	562986947	/nfs/dbraw/zinc/98/69/47/562986947.db2.gz	FWKKEMLVTMHUPM-RYUDHWBXSA-N	-4	0	432.322	0.362	1	0		ICAFRL
CNc1ccc(C(=O)N[C@@H](CC[P@@](=O)([O-])O[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])cc1	ZINC000013445487	562986921	/nfs/dbraw/zinc/98/69/21/562986921.db2.gz	UZGMPYWXEGRHGN-STQMWFEESA-N	-4	0	446.349	0.821	1	0		ICAFRL
CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)CC(=O)[O-]	ZINC000013472235	562987980	/nfs/dbraw/zinc/98/79/80/562987980.db2.gz	QTZZUVLATBLDIM-AWEZNQCLSA-N	-3	0	438.433	0.412	1	0		ICAFRL
CCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)CCC(=O)[O-]	ZINC000013472243	562987910	/nfs/dbraw/zinc/98/79/10/562987910.db2.gz	OMTGHBKJOIRKHW-AWEZNQCLSA-N	-3	0	438.433	0.412	1	0		ICAFRL
CCCCCNC(=O)[C@H](Cc1ccc(OCCO)c(C(=O)[O-])c1)NC(=O)CCC(=O)[O-]	ZINC000013473177	562988224	/nfs/dbraw/zinc/98/82/24/562988224.db2.gz	UGRVYUUDTRPKIK-INIZCTEOSA-N	-2	0	438.477	0.954	1	0		ICAFRL
Nc1nc2ncc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000013514732	562991028	/nfs/dbraw/zinc/99/10/28/562991028.db2.gz	BHDZQFSNQPIPGI-HNNXBMFYSA-N	-2	0	439.428	0.733	1	0		ICAFRL
CNc1ncnc2c1ncn2[C@H]1C[C@H](OP(=O)([O-])[O-])[C@]2(COP(=O)([O-])[O-])C[C@H]12	ZINC000013528970	562991980	/nfs/dbraw/zinc/99/19/80/562991980.db2.gz	FQABQZAJQNHBSV-LWIGBJQBSA-N	-4	0	435.270	0.406	1	0		ICAFRL
CNc1nc(C)nc2c1ncn2[C@H]1C[C@H](OP(=O)([O-])[O-])[C@]2(COP(=O)([O-])[O-])C[C@H]12	ZINC000013528982	562991914	/nfs/dbraw/zinc/99/19/14/562991914.db2.gz	YSADIEIHIAYFHX-YCWTYVPXSA-N	-4	0	449.297	0.715	1	0		ICAFRL
Nc1ncnc2c1ncn2CCCCO[P@@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-]	ZINC000013543303	562992673	/nfs/dbraw/zinc/99/26/73/562992673.db2.gz	NZUSGYFYFSDAPX-UHFFFAOYSA-N	-4	0	447.174	0.532	1	0		ICAFRL
O=S(=O)([O-])OC[C@H]1OCC[C@@H](OCCCOc2ccccc2)[C@@H]1OS(=O)(=O)[O-]	ZINC000013559910	562994085	/nfs/dbraw/zinc/99/40/85/562994085.db2.gz	XZWBNIPEZFAKRG-KFWWJZLASA-N	-2	0	442.464	0.637	1	0		ICAFRL
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(=O)N1CCC[C@H]1C(=O)[O-])C(=O)[O-]	ZINC000013599991	562996764	/nfs/dbraw/zinc/99/67/64/562996764.db2.gz	BIYFVTFYFGFDLD-IMJJTQAJSA-N	-2	0	449.460	0.727	1	0		ICAFRL
CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(P(=O)([O-])[O-])cc2cc1C3	ZINC000013649184	562998880	/nfs/dbraw/zinc/99/88/80/562998880.db2.gz	VIVQXNOLEJJICU-FQEVSTJZSA-N	-2	0	428.337	0.883	1	0		ICAFRL
CCNc1ncnc2c1ncn2[C@H]1C[C@H](OP(=O)([O-])[O-])[C@@H](COP(=O)([O-])[O-])O1	ZINC000013776837	563005897	/nfs/dbraw/zinc/00/58/97/563005897.db2.gz	VFEOMJBNUNVQAO-DJLDLDEBSA-N	-4	0	439.258	0.133	1	0		ICAFRL
CSc1ncnc2c1ncn2[C@H]1C[C@H](OP(=O)([O-])[O-])[C@@H](COP(=O)([O-])[O-])O1	ZINC000013776841	563005902	/nfs/dbraw/zinc/00/59/02/563005902.db2.gz	MBNHRZOEDIGOLA-XLPZGREQSA-N	-4	0	442.283	0.423	1	0		ICAFRL
CO[P@@](=O)([O-])O[C@H]1C[C@H](n2cnc3c2ncnc3N)O[C@@H]1CO[P@@](=O)([O-])OC	ZINC000013797203	563007480	/nfs/dbraw/zinc/00/74/80/563007480.db2.gz	XMEFUXWORGLLGE-DJLDLDEBSA-N	-2	0	439.258	0.591	1	0		ICAFRL
Nc1nc(Cl)nc2c1ncn2CCC(COP(=O)([O-])[O-])COP(=O)([O-])[O-]	ZINC000013805500	563008429	/nfs/dbraw/zinc/00/84/29/563008429.db2.gz	DMSCJQBSYSNKST-UHFFFAOYSA-N	-4	0	431.666	0.287	1	0		ICAFRL
CNc1ncnc2c1ncn2CCCC(COP(=O)([O-])[O-])COP(=O)([O-])[O-]	ZINC000013805502	563008440	/nfs/dbraw/zinc/00/84/40/563008440.db2.gz	HMFZNZUKJGTCDC-UHFFFAOYSA-N	-4	0	425.275	0.483	1	0		ICAFRL
CNc1ncnc2c1ncn2CCCCC(COP(=O)([O-])[O-])COP(=O)([O-])[O-]	ZINC000013805504	563008399	/nfs/dbraw/zinc/00/83/99/563008399.db2.gz	XZEQHERANUXFTJ-UHFFFAOYSA-N	-4	0	439.302	0.873	1	0		ICAFRL
CNc1ncnc2c1ncn2C/C=C\CC(COP(=O)([O-])[O-])COP(=O)([O-])[O-]	ZINC000013805509	563008401	/nfs/dbraw/zinc/00/84/01/563008401.db2.gz	NNLUAKPAORYJHR-IHWYPQMZSA-N	-4	0	437.286	0.649	1	0		ICAFRL
Nc1nc2ncc(NCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000013820121	563009923	/nfs/dbraw/zinc/00/99/23/563009923.db2.gz	AYDSBKMPDDZABS-AWEZNQCLSA-N	-2	0	440.416	0.560	1	0		ICAFRL
Nc1ncnc2ncc(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)nc12	ZINC000013860915	563012640	/nfs/dbraw/zinc/01/26/40/563012640.db2.gz	ACWNWYYLDYBWEG-ZDUSSCGKSA-N	-2	0	425.405	0.662	1	0		ICAFRL
Cc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cnc2n1	ZINC000013860916	563012606	/nfs/dbraw/zinc/01/26/06/563012606.db2.gz	XOSWZVVCHBBRAM-AWEZNQCLSA-N	-2	0	439.432	0.970	1	0		ICAFRL
CN(Cc1cnc2ncnc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000013860917	563012635	/nfs/dbraw/zinc/01/26/35/563012635.db2.gz	UVTFJYBNKBVDDC-AWEZNQCLSA-N	-2	0	439.432	0.686	1	0		ICAFRL
CNc1nc(Cl)nc2c1ncn2CC(COP(=O)([O-])[O-])COP(=O)([O-])[O-]	ZINC000013864016	563013440	/nfs/dbraw/zinc/01/34/40/563013440.db2.gz	GMCUIIHBWNOHIM-UHFFFAOYSA-N	-4	0	431.666	0.356	1	0	in-vitro	ICAFRL
CNc1nc(Cl)nc2c1ncn2CC=C(COP(=O)([O-])[O-])COP(=O)([O-])[O-]	ZINC000013864030	563013456	/nfs/dbraw/zinc/01/34/56/563013456.db2.gz	HSEYIZMENQZQTL-UHFFFAOYSA-N	-4	0	443.677	0.666	1	0		ICAFRL
CNc1nc(Cl)nc2c1ncn2[C@@H]1CC1(COP(=O)([O-])[O-])COP(=O)([O-])[O-]	ZINC000013864034	563013461	/nfs/dbraw/zinc/01/34/61/563013461.db2.gz	IKGWLEDSKVGOTE-ZCFIWIBFSA-N	-4	0	443.677	0.671	1	0		ICAFRL
CNc1nc(Cl)nc2c1ncn2[C@H]1CC1(COP(=O)([O-])[O-])COP(=O)([O-])[O-]	ZINC000013864035	563013498	/nfs/dbraw/zinc/01/34/98/563013498.db2.gz	IKGWLEDSKVGOTE-LURJTMIESA-N	-4	0	443.677	0.671	1	0		ICAFRL
Nc1nc(=O)c2c([nH]1)NC[C@@H](CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)C2	ZINC000013883241	563013692	/nfs/dbraw/zinc/01/36/92/563013692.db2.gz	XQZVRAWIARJOCJ-QMTHXVAHSA-N	-2	0	444.448	0.096	1	0		ICAFRL
Nc1nc(=O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)C2	ZINC000013883242	563013701	/nfs/dbraw/zinc/01/37/01/563013701.db2.gz	XQZVRAWIARJOCJ-IINYFYTJSA-N	-2	0	444.448	0.096	1	0		ICAFRL
Cc1cc2nc(N)[nH]c(=O)c2n1Cc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000014974293	563016716	/nfs/dbraw/zinc/01/67/16/563016716.db2.gz	MQXAYLIDIPHGSK-ZDUSSCGKSA-N	-2	0	427.417	0.711	1	0		ICAFRL
Nc1nc2ccc(CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)nc2c(=O)[nH]1	ZINC000017003239	563021254	/nfs/dbraw/zinc/02/12/54/563021254.db2.gz	PEIIBFVUZRSFNO-CQSZACIVSA-N	-2	0	440.416	0.560	1	0		ICAFRL
Nc1nc(N)c2nc(COc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cnc2n1	ZINC000017059514	563021349	/nfs/dbraw/zinc/02/13/49/563021349.db2.gz	OXQRBFXBEFIQLR-GFCCVEGCSA-N	-2	0	441.404	0.211	1	0		ICAFRL
Nc1nc(N)c2nc(CCc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cnc2n1	ZINC000017120001	563021308	/nfs/dbraw/zinc/02/13/08/563021308.db2.gz	LGFLRHWJJKLPCC-CYBMUJFWSA-N	-2	0	439.432	0.417	1	0		ICAFRL
Nc1nc2ncc(CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000017130124	563021372	/nfs/dbraw/zinc/02/13/72/563021372.db2.gz	NFARHPAOOHOWAL-CQSZACIVSA-N	-2	0	440.416	0.560	1	0		ICAFRL
Nc1nc(N)c2cc(CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cnc2n1	ZINC000017424001	563022016	/nfs/dbraw/zinc/02/20/16/563022016.db2.gz	QLPRLGAHKHCVEW-CQSZACIVSA-N	-2	0	439.432	0.849	1	0		ICAFRL
Nc1nc2[nH]cc(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(N)n1	ZINC000021289021	563025342	/nfs/dbraw/zinc/02/53/42/563025342.db2.gz	NVNGVVOWLVRFNV-LBPRGKRZSA-N	-2	0	427.421	0.782	1	0		ICAFRL
Nc1nc2[nH]cc(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(=O)[nH]1	ZINC000026146544	563028903	/nfs/dbraw/zinc/02/89/03/563028903.db2.gz	CPXNAWWJUOPIJB-LBPRGKRZSA-N	-2	0	428.405	0.906	1	0		ICAFRL
CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000026281531	563030749	/nfs/dbraw/zinc/03/07/49/563030749.db2.gz	DQZLHLWLHFWIRR-YEWWUXTCSA-N	-2	0	435.477	0.309	1	0		ICAFRL
Cc1[nH]c2nc(N)[nH]c(=O)c2c1CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026384250	563031572	/nfs/dbraw/zinc/03/15/72/563031572.db2.gz	CMMCCEOFORPIQN-CYBMUJFWSA-N	-2	0	442.432	0.802	1	0		ICAFRL
CN(Cc1cnc2ncnc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026386729	563031608	/nfs/dbraw/zinc/03/16/08/563031608.db2.gz	UVTFJYBNKBVDDC-CQSZACIVSA-N	-2	0	439.432	0.686	1	0		ICAFRL
Nc1ncnc2ncc(CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)nc12	ZINC000026402147	563031847	/nfs/dbraw/zinc/03/18/47/563031847.db2.gz	ACWNWYYLDYBWEG-CYBMUJFWSA-N	-2	0	425.405	0.662	1	0		ICAFRL
Cc1nc(N)c2nc(CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cnc2n1	ZINC000026404188	563031924	/nfs/dbraw/zinc/03/19/24/563031924.db2.gz	XOSWZVVCHBBRAM-CQSZACIVSA-N	-2	0	439.432	0.970	1	0		ICAFRL
C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(=O)N1CCC[C@H]1C(=O)[O-])C(=O)[O-]	ZINC000026475718	563032238	/nfs/dbraw/zinc/03/22/38/563032238.db2.gz	BIYFVTFYFGFDLD-BMFZPTHFSA-N	-2	0	449.460	0.727	1	0		ICAFRL
O=C([O-])CC[C@@H](NC(=O)c1ccc(NCc2ccc3nn[nH]c(=O)c3c2)cc1)C(=O)[O-]	ZINC000026577569	563033853	/nfs/dbraw/zinc/03/38/53/563033853.db2.gz	YKORUANEKZOBMT-MRXNPFEDSA-N	-2	0	425.401	0.978	1	0		ICAFRL
C[C@H](O)[C@H](NC[P@@](=O)([O-])O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000026664930	563035114	/nfs/dbraw/zinc/03/51/14/563035114.db2.gz	RWIYSIKEXVLOCD-KKXDTOCCSA-N	-2	0	436.401	0.940	1	0		ICAFRL
Nc1nc(=O)c2c([nH]1)NC[C@H](Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)C2	ZINC000027083004	563039123	/nfs/dbraw/zinc/03/91/23/563039123.db2.gz	RPRBLFOFJVUMAP-BXUZGUMPSA-N	-2	0	429.433	0.227	1	0		ICAFRL
Nc1nc(=O)c2c([nH]1)NC[C@@H](Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)C2	ZINC000027083011	563039088	/nfs/dbraw/zinc/03/90/88/563039088.db2.gz	RPRBLFOFJVUMAP-SMDDNHRTSA-N	-2	0	429.433	0.227	1	0		ICAFRL
Nc1nc(N)c2nc(CCc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s3)cnc2n1	ZINC000027205356	563040804	/nfs/dbraw/zinc/04/08/04/563040804.db2.gz	NZXYSSLQUHXLRF-SNVBAGLBSA-N	-2	0	445.461	0.479	1	0		ICAFRL
Nc1nc(N)c2cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cn3)cnc2n1	ZINC000027299202	563041249	/nfs/dbraw/zinc/04/12/49/563041249.db2.gz	WPCFFSKNSLGYRV-AWEZNQCLSA-N	-2	0	439.432	0.417	1	0		ICAFRL
Nc1nc(N)c2cc(CCc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cn3)cnc2n1	ZINC000027299207	563041251	/nfs/dbraw/zinc/04/12/51/563041251.db2.gz	WPCFFSKNSLGYRV-CQSZACIVSA-N	-2	0	439.432	0.417	1	0		ICAFRL
CNc1ncnc2c1ncn2[C@@H]1C[C@H](OP(=O)([O-])[O-])[C@]2(COP(=O)([O-])[O-])C[C@H]12	ZINC000027553169	563043543	/nfs/dbraw/zinc/04/35/43/563043543.db2.gz	FQABQZAJQNHBSV-SKNMHBRKSA-N	-4	0	435.270	0.406	1	0		ICAFRL
CN(CCCc1c(N)[nH]c(N)nc1=O)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027637743	563044896	/nfs/dbraw/zinc/04/48/96/563044896.db2.gz	FSMSLEVHAQLDLW-CQSZACIVSA-N	-2	0	446.464	0.051	1	0		ICAFRL
Nc1nc2ncc(NCc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000027705854	563045527	/nfs/dbraw/zinc/04/55/27/563045527.db2.gz	AYDSBKMPDDZABS-CQSZACIVSA-N	-2	0	440.416	0.560	1	0		ICAFRL
CCCCNC(=O)[C@@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)CCC(=O)[O-]	ZINC000027714350	563045766	/nfs/dbraw/zinc/04/57/66/563045766.db2.gz	OMTGHBKJOIRKHW-CQSZACIVSA-N	-3	0	438.433	0.412	1	0		ICAFRL
CCCCCNC(=O)[C@@H](Cc1ccc(OC(C(=O)[O-])C(=O)[O-])cc1)NC(=O)CC(=O)[O-]	ZINC000027717194	563045725	/nfs/dbraw/zinc/04/57/25/563045725.db2.gz	QTZZUVLATBLDIM-CQSZACIVSA-N	-3	0	438.433	0.412	1	0		ICAFRL
Nc1nc(N)c2nc(CNc3ccccc3C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cnc2n1	ZINC000027867267	563047567	/nfs/dbraw/zinc/04/75/67/563047567.db2.gz	OBUFDIXVQFAJJC-LBPRGKRZSA-N	-2	0	440.420	0.244	1	0		ICAFRL
Nc1nc(N)c2nc(CNc3ccccc3C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cnc2n1	ZINC000027867274	563047571	/nfs/dbraw/zinc/04/75/71/563047571.db2.gz	OBUFDIXVQFAJJC-GFCCVEGCSA-N	-2	0	440.420	0.244	1	0		ICAFRL
Nc1nc(N)c2nc(CNc3cccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c3)cnc2n1	ZINC000027868674	563047683	/nfs/dbraw/zinc/04/76/83/563047683.db2.gz	MJRWNARHVHEXLL-LBPRGKRZSA-N	-2	0	440.420	0.244	1	0		ICAFRL
Nc1nc(N)c2nc(CNc3cccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c3)cnc2n1	ZINC000027868678	563047664	/nfs/dbraw/zinc/04/76/64/563047664.db2.gz	MJRWNARHVHEXLL-GFCCVEGCSA-N	-2	0	440.420	0.244	1	0		ICAFRL
CC(C)C[C@H](O[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@@H](O)N[C@@H](N)C(=O)[O-]	ZINC000027879829	563047743	/nfs/dbraw/zinc/04/77/43/563047743.db2.gz	QSWGWGLQCBDQIJ-RRFJBIMHSA-N	-2	0	433.398	0.764	1	0		ICAFRL
C[C@](CCC(=O)[O-])(NC(=O)c1ccc(CC[C@@H]2CNc3nc(N)nc(N)c3C2)o1)C(=O)[O-]	ZINC000027880434	563047847	/nfs/dbraw/zinc/04/78/47/563047847.db2.gz	WVFMOCGMKPUTRR-WVDJIFEKSA-N	-2	0	446.464	0.889	1	0		ICAFRL
C[C@](CCC(=O)[O-])(NC(=O)c1ccc(CC[C@H]2CNc3nc(N)nc(N)c3C2)o1)C(=O)[O-]	ZINC000027880441	563047882	/nfs/dbraw/zinc/04/78/82/563047882.db2.gz	WVFMOCGMKPUTRR-CFMSYZGJSA-N	-2	0	446.464	0.889	1	0		ICAFRL
CC(C)C[C@H](N[P@@](=O)([O-])CNC(=O)OCc1ccccc1)[C@@H](O)N[C@@H](N)C(=O)[O-]	ZINC000027890421	563048051	/nfs/dbraw/zinc/04/80/51/563048051.db2.gz	KOVONSMQDCGYNX-RRFJBIMHSA-N	-2	0	432.414	0.337	1	0		ICAFRL
CNc1nc(Cl)nc2c1ncn2[C@@H]1C[C@H](OP(=O)([O-])[O-])[C@@H]1COP(=O)([O-])[O-]	ZINC000027983055	563048635	/nfs/dbraw/zinc/04/86/35/563048635.db2.gz	VXOIYGSHABWBHY-QYNIQEEDSA-N	-4	0	443.677	0.670	1	0		ICAFRL
CNc1nc(Cl)nc2c1ncn2[C@@H]1C[C@H](OP(=O)([O-])[O-])[C@H]1COP(=O)([O-])[O-]	ZINC000027983061	563048661	/nfs/dbraw/zinc/04/86/61/563048661.db2.gz	VXOIYGSHABWBHY-XVMARJQXSA-N	-4	0	443.677	0.670	1	0		ICAFRL
CNc1ncnc2c1ncn2[C@@H]1C[C@H](OP(=O)([O-])[O-])[C@@]2(COP(=O)([O-])[O-])C[C@@H]12	ZINC000027983164	563048675	/nfs/dbraw/zinc/04/86/75/563048675.db2.gz	FQABQZAJQNHBSV-QRIDJOKKSA-N	-4	0	435.270	0.406	1	0		ICAFRL
Nc1nc(N)c2c(n1)NC[C@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)C2	ZINC000028008479	563049576	/nfs/dbraw/zinc/04/95/76/563049576.db2.gz	JVKOZIXIYHORFY-IUODEOHRSA-N	-2	0	442.476	0.906	1	0		ICAFRL
Nc1nc(N)c2c(n1)NC[C@@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)C2	ZINC000028008483	563049556	/nfs/dbraw/zinc/04/95/56/563049556.db2.gz	JVKOZIXIYHORFY-SWLSCSKDSA-N	-2	0	442.476	0.906	1	0		ICAFRL
CNc1nc(C)nc2c1ncn2[C@H]1C[C@H](OP(=O)([O-])[O-])[C@@H](COP(=O)([O-])[O-])O1	ZINC000028021620	563050150	/nfs/dbraw/zinc/05/01/50/563050150.db2.gz	PFVYXNYRQBWSTG-DJLDLDEBSA-N	-4	0	439.258	0.051	1	0		ICAFRL
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000028229071	563051820	/nfs/dbraw/zinc/05/18/20/563051820.db2.gz	KENAZIFKSOUNDS-BZSNNMDCSA-N	-2	0	449.504	0.699	1	0		ICAFRL
C[C@@H](OP(=O)([O-])[O-])[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O	ZINC000028460581	563055023	/nfs/dbraw/zinc/05/50/23/563055023.db2.gz	COWMXVMWLIKSGU-KMFMINBZSA-N	-2	0	441.421	0.468	1	0		ICAFRL
C[C@@H](OP(=O)([O-])[O-])[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CC=C[C@H]1C(N)=O	ZINC000028463063	563055145	/nfs/dbraw/zinc/05/51/45/563055145.db2.gz	RNEHSZHXDXAAEX-KMFMINBZSA-N	-2	0	439.405	0.244	1	0		ICAFRL
C[C@@H](OP(=O)([O-])[O-])[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O	ZINC000028464040	563055282	/nfs/dbraw/zinc/05/52/82/563055282.db2.gz	RCVNXHMFHKGQSG-INWMFGNUSA-N	-2	0	427.394	0.078	1	0		ICAFRL
CN(C(=O)c1ccccc1)[C@@H](CO[P@](=O)([O-])N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000028876137	563067598	/nfs/dbraw/zinc/06/75/98/563067598.db2.gz	QDJXOFMYTNHCIR-RYUDHWBXSA-N	-4	0	432.322	0.236	1	0		ICAFRL
NC(=O)c1cc([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)ccc1Oc1ccccc1	ZINC000028950597	563069623	/nfs/dbraw/zinc/06/96/23/563069623.db2.gz	IUCIUGXOUIDNQA-VQHPVUNQSA-N	-2	0	425.330	0.849	1	0		ICAFRL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@H]2O[C@@H](Cc3ccccc3)O[C@H]21	ZINC000029135268	563076155	/nfs/dbraw/zinc/07/61/55/563076155.db2.gz	FMGVLWVKBGLVPP-AJKMGBEJSA-N	-2	0	449.360	0.768	1	0		ICAFRL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@H]2O[C@@H](c3ccccc3)O[C@H]21	ZINC000029135270	563076205	/nfs/dbraw/zinc/07/62/05/563076205.db2.gz	YOWWIAKPIFZVIY-BOFATEMHSA-N	-2	0	435.333	0.898	1	0		ICAFRL
Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@H]3O[C@@H](Cc4ccccc4)O[C@H]32)c(=O)n1	ZINC000029135612	563076276	/nfs/dbraw/zinc/07/62/76/563076276.db2.gz	JRKFLYAHAZHGDS-JPIRQXTESA-N	-2	0	425.334	0.185	1	0		ICAFRL
Nc1nc(=O)c(CCCSc2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c(N)[nH]1	ZINC000029210702	563076603	/nfs/dbraw/zinc/07/66/03/563076603.db2.gz	GBCOEYCVWATBTJ-CYBMUJFWSA-N	-2	0	449.489	0.707	1	0		ICAFRL
Nc1nc(=O)c(CCCCNc2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c(N)[nH]1	ZINC000029211231	563076615	/nfs/dbraw/zinc/07/66/15/563076615.db2.gz	PRFWJWXSGBDTCD-CQSZACIVSA-N	-2	0	446.464	0.417	1	0		ICAFRL
Cc1cc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])ccc1NCCCc1c(N)[nH]c(N)nc1=O	ZINC000029211911	563076589	/nfs/dbraw/zinc/07/65/89/563076589.db2.gz	QCYMBNSAURMPDS-CQSZACIVSA-N	-2	0	446.464	0.335	1	0		ICAFRL
Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000029321038	563077820	/nfs/dbraw/zinc/07/78/20/563077820.db2.gz	HLQVKHILGYCUSU-OCCSQVGLSA-N	-2	0	444.448	0.651	1	0		ICAFRL
Nc1nc2c(c(=O)[nH]1)N[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000029321044	563077830	/nfs/dbraw/zinc/07/78/30/563077830.db2.gz	HLQVKHILGYCUSU-JSGCOSHPSA-N	-2	0	444.448	0.651	1	0		ICAFRL
Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000029321048	563077778	/nfs/dbraw/zinc/07/77/78/563077778.db2.gz	HLQVKHILGYCUSU-TZMCWYRMSA-N	-2	0	444.448	0.651	1	0		ICAFRL
Nc1nc2c(c(=O)[nH]1)N[C@H](CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000029321053	563077823	/nfs/dbraw/zinc/07/78/23/563077823.db2.gz	HLQVKHILGYCUSU-GXTWGEPZSA-N	-2	0	444.448	0.651	1	0		ICAFRL
O=C([O-])CN1c2ccccc2S(=O)(=O)C[C@H](N[C@@H](CCc2ccccc2)C(=O)[O-])C1=O	ZINC000029323526	563077928	/nfs/dbraw/zinc/07/79/28/563077928.db2.gz	FPASGSJUMIMYAZ-HOTGVXAUSA-N	-2	0	446.481	0.936	1	0		ICAFRL
O=C([O-])CN1c2ccccc2S(=O)(=O)C[C@H](N[C@H](CCc2ccccc2)C(=O)[O-])C1=O	ZINC000029323531	563077892	/nfs/dbraw/zinc/07/78/92/563077892.db2.gz	FPASGSJUMIMYAZ-CVEARBPZSA-N	-2	0	446.481	0.936	1	0		ICAFRL
C[C@H](NC(=O)CCCCCOP(=O)([O-])[O-])[P@@](=O)([O-])C[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000029396381	563079193	/nfs/dbraw/zinc/07/91/93/563079193.db2.gz	BZZAOAFSOANLEC-GHMZBOCLSA-N	-5	0	447.314	0.954	1	0		ICAFRL
O=S(=O)([O-])OC[C@H]1OCC[C@@H](OCCCOc2ccccc2)[C@H]1OS(=O)(=O)[O-]	ZINC000029410574	563079801	/nfs/dbraw/zinc/07/98/01/563079801.db2.gz	XZWBNIPEZFAKRG-RBSFLKMASA-N	-2	0	442.464	0.637	1	0		ICAFRL
CCCCCNC(=O)[C@@H](Cc1ccc(OCCO)c(C(=O)[O-])c1)NC(=O)CCC(=O)[O-]	ZINC000029481289	563081137	/nfs/dbraw/zinc/08/11/37/563081137.db2.gz	UGRVYUUDTRPKIK-MRXNPFEDSA-N	-2	0	438.477	0.954	1	0		ICAFRL
O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3Cl)C[C@@H]1OP(=O)([O-])[O-]	ZINC000029545450	563081679	/nfs/dbraw/zinc/08/16/79/563081679.db2.gz	JBHKNRUJECRFAR-RRKCRQDMSA-N	-4	0	430.634	0.354	1	0		ICAFRL
Nc1nc(=O)c2c([nH]1)NC[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)C2	ZINC000031417626	563083312	/nfs/dbraw/zinc/08/33/12/563083312.db2.gz	XQZVRAWIARJOCJ-YGRLFVJLSA-N	-2	0	444.448	0.096	1	0		ICAFRL
O=C([O-])[C@H]1O[C@@H](Oc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)[C@H](O)[C@@H](O)[C@H]1O	ZINC000033830165	291317087	/nfs/dbraw/zinc/31/70/87/291317087.db2.gz	IDRSJGHHZXBATQ-KWLWEVDOSA-N	-2	0	430.365	0.437	1	0	biogenic,in-vitro	ICAFRL
O=C([O-])[C@H]1O[C@@H](Oc2c(=O)cc3oc(-c4ccccc4)cc(O)c-3c2[O-])[C@H](O)[C@@H](O)[C@@H]1O	ZINC000033833796	291316669	/nfs/dbraw/zinc/31/66/69/291316669.db2.gz	OJLSRRUAFRVUSN-BHWDSYMASA-N	-2	0	446.364	0.142	1	0	biogenic,in-vitro	ICAFRL
CN1C(=O)CN(NC(=O)C2=C([O-])c3ccc(Br)cc3S(=O)(=O)[N-]2)C1=S	ZINC000034172734	563085758	/nfs/dbraw/zinc/08/57/58/563085758.db2.gz	SOPVBQVWMZTLEQ-UHFFFAOYSA-N	-2	0	447.292	0.058	1	0		ICAFRL
Nc1ccn([C@@H]2C=C[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])C2)c(=O)n1	ZINC000036152426	563091337	/nfs/dbraw/zinc/09/13/37/563091337.db2.gz	ZXTSEKNVNNDUKY-JGVFFNPUSA-N	-4	0	447.170	0.286	1	0		ICAFRL
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1[C@H](C(=O)[O-])[C@H]1C(=O)[O-]	ZINC000036178676	563091687	/nfs/dbraw/zinc/09/16/87/563091687.db2.gz	UDSQNOJFAXMKIA-MXAVVETBSA-N	-2	0	449.460	0.376	1	0		ICAFRL
C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1[C@H](C(=O)[O-])[C@H]1C(=O)[O-]	ZINC000036178679	563091648	/nfs/dbraw/zinc/09/16/48/563091648.db2.gz	UDSQNOJFAXMKIA-ATGSNQNLSA-N	-2	0	449.460	0.376	1	0		ICAFRL
C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1[C@H](C(=O)[O-])[C@H]1C(=O)[O-]	ZINC000036178682	563091690	/nfs/dbraw/zinc/09/16/90/563091690.db2.gz	UDSQNOJFAXMKIA-RZFFKMDDSA-N	-2	0	449.460	0.376	1	0		ICAFRL
C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1[C@H](C(=O)[O-])[C@H]1C(=O)[O-]	ZINC000036178704	563091694	/nfs/dbraw/zinc/09/16/94/563091694.db2.gz	UDSQNOJFAXMKIA-UNQGMJICSA-N	-2	0	449.460	0.376	1	0		ICAFRL
CCCCSc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(N)n1	ZINC000039034335	563098692	/nfs/dbraw/zinc/09/86/92/563098692.db2.gz	WCMCWROWZKCILA-QYVSTXNMSA-N	-2	0	435.399	0.029	1	0		ICAFRL
O=C([O-])[C@H]1O[C@H](Oc2cc([O-])c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000039339318	291317078	/nfs/dbraw/zinc/31/70/78/291317078.db2.gz	JBFOLLJCGUCDQP-UNJWAJPSSA-N	-2	0	446.364	0.142	1	0	biogenic,in-vitro	ICAFRL
O=C([O-])[C@H]1O[C@@H](Oc2c(=O)cc([O-])c3c(O)cc(-c4ccccc4)oc2-3)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000039560294	563099193	/nfs/dbraw/zinc/09/91/93/563099193.db2.gz	YFWMSXQNCPRTKO-ZUGPOPFOSA-N	-2	0	446.364	0.142	1	0		ICAFRL
COc1ncc(C[n+]2csc(CCO[P@@](=O)([O-])OP(=O)([O-])[O-])c2C)c(N)n1	ZINC000040447672	563103801	/nfs/dbraw/zinc/10/38/01/563103801.db2.gz	PWBCVHDHRGCQHM-UHFFFAOYSA-O	-2	0	441.319	0.542	1	0	in-vitro	ICAFRL
C[C@@](O)(/C=C/[C@@H]1OC(=O)C=C[C@H]1O)[C@@H](C[C@@H](O)/C=C\C=C/C=C/CO)OP(=O)([O-])[O-]	ZINC000040505212	563104295	/nfs/dbraw/zinc/10/42/95/563104295.db2.gz	JIAYUFWCNLGCTK-JZCXHOBTSA-N	-2	0	446.389	0.026	1	0		ICAFRL
C[C@@](O)(/C=C/[C@@H]1OC(=O)C=C[C@@H]1O)[C@@H](C[C@@H](O)/C=C\C=C/C=C/CO)OP(=O)([O-])[O-]	ZINC000040505216	563104279	/nfs/dbraw/zinc/10/42/79/563104279.db2.gz	JIAYUFWCNLGCTK-DRBLHXGMSA-N	-2	0	446.389	0.026	1	0		ICAFRL
C[C@@](O)(/C=C/COC(=O)/C=C\CO)[C@@H](C[C@@H](O)/C=C\C=C/C=C/CO)OP(=O)([O-])[O-]	ZINC000040505324	563104223	/nfs/dbraw/zinc/10/42/23/563104223.db2.gz	YDLACQOBCBZLNY-LKNQHHCGSA-N	-2	0	448.405	0.275	1	0		ICAFRL
CC(C)C[C@H](N[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@H](O)N[C@H](N)C(=O)[O-]	ZINC000040519670	563104398	/nfs/dbraw/zinc/10/43/98/563104398.db2.gz	KOVONSMQDCGYNX-KKUMJFAQSA-N	-2	0	432.414	0.337	1	0		ICAFRL
CC(C)C[C@H](N[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@@H](O)N[C@H](N)C(=O)[O-]	ZINC000040519674	563104340	/nfs/dbraw/zinc/10/43/40/563104340.db2.gz	KOVONSMQDCGYNX-SOUVJXGZSA-N	-2	0	432.414	0.337	1	0		ICAFRL
CC(C)C[C@H](O[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@H](O)N[C@H](N)C(=O)[O-]	ZINC000040520143	563104402	/nfs/dbraw/zinc/10/44/02/563104402.db2.gz	QSWGWGLQCBDQIJ-KKUMJFAQSA-N	-2	0	433.398	0.764	1	0		ICAFRL
CC(C)C[C@H](O[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@@H](O)N[C@H](N)C(=O)[O-]	ZINC000040520149	563104353	/nfs/dbraw/zinc/10/43/53/563104353.db2.gz	QSWGWGLQCBDQIJ-SOUVJXGZSA-N	-2	0	433.398	0.764	1	0		ICAFRL
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1[C@H](C(=O)[O-])[C@H]1C(=O)[O-]	ZINC000040762871	563106314	/nfs/dbraw/zinc/10/63/14/563106314.db2.gz	LUJIHXOLFYBKLH-XUXIUFHCSA-N	-2	0	441.481	0.665	1	0		ICAFRL
CO[C@@H]1O[C@H](C)[C@H](OCc2ccccc2)[C@H](OS(=O)(=O)[O-])[C@@H]1OS(=O)(=O)[O-]	ZINC000040828754	563107049	/nfs/dbraw/zinc/10/70/49/563107049.db2.gz	XHMJNSRBDLWZJG-KYLSFTOHSA-N	-2	0	428.437	0.339	1	0		ICAFRL
Nc1nc(=O)c(CCC[C@@H](O)c2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c(N)[nH]1	ZINC000040835249	563107176	/nfs/dbraw/zinc/10/71/76/563107176.db2.gz	OGTRQJJZWHQCBC-UONOGXRCSA-N	-2	0	447.448	0.038	1	0		ICAFRL
Nc1nc(=O)c(CCC[C@H](O)c2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c(N)[nH]1	ZINC000040845217	563107335	/nfs/dbraw/zinc/10/73/35/563107335.db2.gz	OGTRQJJZWHQCBC-KBPBESRZSA-N	-2	0	447.448	0.038	1	0		ICAFRL
O=C([O-])CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(F)cc1)C(=O)[O-])C(=O)[O-]	ZINC000040845595	563107358	/nfs/dbraw/zinc/10/73/58/563107358.db2.gz	BQJLVCYAYCTTKJ-KBPBESRZSA-N	-3	0	441.412	0.796	1	0		ICAFRL
O=C([O-])CC[C@H](NC(=O)c1ccc(CNc2ccc3[nH]c(=O)[nH]c(=O)c3c2)cc1)C(=O)[O-]	ZINC000040866022	563108703	/nfs/dbraw/zinc/10/87/03/563108703.db2.gz	KTLRMVNROSEUDV-INIZCTEOSA-N	-2	0	440.412	0.876	1	0		ICAFRL
O=C([O-])CC[C@@H](NC(=O)c1ccc(CNc2ccc3[nH]c(=O)[nH]c(=O)c3c2)cc1)C(=O)[O-]	ZINC000040866024	563108772	/nfs/dbraw/zinc/10/87/72/563108772.db2.gz	KTLRMVNROSEUDV-MRXNPFEDSA-N	-2	0	440.412	0.876	1	0		ICAFRL
Nc1nc2c(ncn2CCOC[P@@](=O)([O-])O)c(N[C@@H](Cc2ccccc2)C(=O)[O-])n1	ZINC000040939536	563113301	/nfs/dbraw/zinc/11/33/01/563113301.db2.gz	CBLGZXFCZMHUJO-LBPRGKRZSA-N	-2	0	436.365	0.668	1	0		ICAFRL
Nc1nc2c(ncn2CCOC[P@@](=O)([O-])O)c(N[C@H](Cc2ccccc2)C(=O)[O-])n1	ZINC000040939538	563113366	/nfs/dbraw/zinc/11/33/66/563113366.db2.gz	CBLGZXFCZMHUJO-GFCCVEGCSA-N	-2	0	436.365	0.668	1	0		ICAFRL
C[C@@H](CS(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])NC(=O)/C=C/c1ccc2c(c1)OCO2	ZINC000043059788	563117547	/nfs/dbraw/zinc/11/75/47/563117547.db2.gz	SYDVLYBYQUXQTG-PPQATAHVSA-N	-2	0	442.446	0.171	1	0		ICAFRL
O=c1ccn(CCCCCO[P@@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])c(=O)[nH]1	ZINC000045288680	563128626	/nfs/dbraw/zinc/12/86/26/563128626.db2.gz	QNCWJADBBBISGT-UHFFFAOYSA-N	-4	0	438.159	0.050	1	0		ICAFRL
Nc1nc(SC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000045291362	563128863	/nfs/dbraw/zinc/12/88/63/563128863.db2.gz	CMKRVBWWVUTJQF-IDTAVKCVSA-N	-2	0	447.410	0.172	1	0		ICAFRL
O=C([O-])C(=O)N[C@H](Cc1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1)C(=O)[O-]	ZINC000045372926	563133532	/nfs/dbraw/zinc/13/35/32/563133532.db2.gz	OPZUVYWAOXCPBR-QGZVFWFLSA-N	-2	0	440.408	0.948	1	0		ICAFRL
CCCCSc1nc2c(ncnc2N)n1[C@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000049017120	563135409	/nfs/dbraw/zinc/13/54/09/563135409.db2.gz	VFLYSLPYKLFYSL-HMMKDHSLSA-N	-2	0	435.399	0.029	1	0		ICAFRL
CCCCSc1nc2c(ncn2[C@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(N)n1	ZINC000049021149	563135658	/nfs/dbraw/zinc/13/56/58/563135658.db2.gz	WCMCWROWZKCILA-HMMKDHSLSA-N	-2	0	435.399	0.029	1	0		ICAFRL
CCCCCSc1nc2c(ncnc2N)n1[C@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000049113859	563138688	/nfs/dbraw/zinc/13/86/88/563138688.db2.gz	QMDINZFRFHLCFO-PYUPQCDSSA-N	-2	0	449.426	0.419	1	0		ICAFRL
CCCCCSc1nc2c(ncnc2N)n1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000049113862	563138681	/nfs/dbraw/zinc/13/86/81/563138681.db2.gz	QMDINZFRFHLCFO-IDTAVKCVSA-N	-2	0	449.426	0.419	1	0		ICAFRL
C[C@H](NC(=O)CCCCCOP(=O)([O-])[O-])[P@@](=O)([O-])C[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000058541160	563144260	/nfs/dbraw/zinc/14/42/60/563144260.db2.gz	BZZAOAFSOANLEC-MNOVXSKESA-N	-5	0	447.314	0.954	1	0		ICAFRL
CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)NCCCN1CCCNC1=O	ZINC000066076025	563157480	/nfs/dbraw/zinc/15/74/80/563157480.db2.gz	RIBDYTODEHUADD-INIZCTEOSA-N	-2	0	442.409	0.127	1	0		ICAFRL
CC(=O)N[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)NCCCN1CCCNC1=O	ZINC000066076105	563157492	/nfs/dbraw/zinc/15/74/92/563157492.db2.gz	RIBDYTODEHUADD-MRXNPFEDSA-N	-2	0	442.409	0.127	1	0		ICAFRL
O=P([O-])([O-])OC[C@H]1O[C@@H](n2cc(-c3ccccc3C(F)(F)F)nn2)[C@H](O)[C@@H]1O	ZINC000066076734	563157593	/nfs/dbraw/zinc/15/75/93/563157593.db2.gz	KHFFCSCHHNTMDN-FDYHWXHSSA-N	-2	0	425.256	0.692	1	0		ICAFRL
CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)NCCCN1CCCC1=O	ZINC000066098052	563158011	/nfs/dbraw/zinc/15/80/11/563158011.db2.gz	MSNROAGYAFIQJS-INIZCTEOSA-N	-2	0	427.394	0.334	1	0		ICAFRL
CCCC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)NCCN1CCNC1=O	ZINC000066098059	563158028	/nfs/dbraw/zinc/15/80/28/563158028.db2.gz	HHRWSMRQSIBQLU-HNNXBMFYSA-N	-2	0	442.409	0.127	1	0		ICAFRL
O=c1ccn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(SCCc2ccccc2)n1	ZINC000071318792	563162157	/nfs/dbraw/zinc/16/21/57/563162157.db2.gz	DKLOPLNHUFXHPV-DTZQCDIJSA-N	-2	0	444.402	0.307	1	0		ICAFRL
O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2nc(Cl)nc3NC2CCCC2)[C@H](O)[C@@H]1O	ZINC000095555027	563181186	/nfs/dbraw/zinc/18/11/86/563181186.db2.gz	YSXGYHSLWDFGDS-IDTAVKCVSA-N	-2	0	449.788	0.563	1	0		ICAFRL
CC(CC(=O)[O-])(CC(=O)[O-])OC[C@H]1O[C@@H](OC/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000095605346	563193957	/nfs/dbraw/zinc/19/39/57/563193957.db2.gz	XCAAQXCIKODIDY-QUNBHGSGSA-N	-2	0	440.445	0.249	1	0		ICAFRL
O=C([O-])[C@@H]1O[C@H](Oc2ccc(-c3cc(=O)c4c(O)cc([O-])cc4o3)cc2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000095909568	291316693	/nfs/dbraw/zinc/31/66/93/291316693.db2.gz	NKRGFKAFZUDVES-YRIDSSQKSA-N	-2	0	446.364	0.142	1	0	biogenic,in-vitro	ICAFRL
CC1=C(Sc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)[C@H]2C(=O)NC(=N)N[C@@H]2N1	ZINC000100712937	581092224	/nfs/dbraw/zinc/09/22/24/581092224.db2.gz	OMHZMMMKMRPSKH-LNSITVRQSA-N	-2	0	447.473	0.048	1	0		ICAFRL
CC1=C(Sc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)[C@@H]2C(=O)NC(=N)N[C@@H]2N1	ZINC000100712940	581092104	/nfs/dbraw/zinc/09/21/04/581092104.db2.gz	OMHZMMMKMRPSKH-WHOFXGATSA-N	-2	0	447.473	0.048	1	0		ICAFRL
CC1=C(Sc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)[C@H]2C(=O)NC(=N)N[C@H]2N1	ZINC000100712944	581092145	/nfs/dbraw/zinc/09/21/45/581092145.db2.gz	OMHZMMMKMRPSKH-NJZAAPMLSA-N	-2	0	447.473	0.048	1	0		ICAFRL
CC1=C(Sc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)[C@@H]2C(=O)NC(=N)N[C@H]2N1	ZINC000100712948	581092262	/nfs/dbraw/zinc/09/22/62/581092262.db2.gz	OMHZMMMKMRPSKH-CORIIIEPSA-N	-2	0	447.473	0.048	1	0		ICAFRL
CC1=C(Sc2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)[C@@H]2C(=O)NC(=N)N[C@@H]2N1	ZINC000169358597	581092137	/nfs/dbraw/zinc/09/21/37/581092137.db2.gz	OMHZMMMKMRPSKH-ZLDLUXBVSA-N	-2	0	447.473	0.048	1	0		ICAFRL
CC1=C(Sc2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)[C@H]2C(=O)NC(=N)N[C@@H]2N1	ZINC000169358598	581092167	/nfs/dbraw/zinc/09/21/67/581092167.db2.gz	OMHZMMMKMRPSKH-KYOSRNDESA-N	-2	0	447.473	0.048	1	0		ICAFRL
CC1=C(Sc2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)[C@@H]2C(=O)NC(=N)N[C@H]2N1	ZINC000253896671	581092107	/nfs/dbraw/zinc/09/21/07/581092107.db2.gz	OMHZMMMKMRPSKH-OSAQELSMSA-N	-2	0	447.473	0.048	1	0		ICAFRL
CC1=C(Sc2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)[C@H]2C(=O)NC(=N)N[C@H]2N1	ZINC000253896674	581092168	/nfs/dbraw/zinc/09/21/68/581092168.db2.gz	OMHZMMMKMRPSKH-UXIGCNINSA-N	-2	0	447.473	0.048	1	0		ICAFRL
Cn1c2ccc(S(=O)(=O)Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2c(=O)n(C)c1=O	ZINC000009675800	562975300	/nfs/dbraw/zinc/97/53/00/562975300.db2.gz	GWEWBNCJANBPIC-UHFFFAOYSA-N	-2	0	433.398	0.434	3	0		ICAFRL
O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])c1	ZINC000012472346	562982206	/nfs/dbraw/zinc/98/22/06/562982206.db2.gz	WBXQXTJZCCCEMD-KBPBESRZSA-N	-2	0	432.476	0.162	3	0		ICAFRL
O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])c1	ZINC000012472945	562982210	/nfs/dbraw/zinc/98/22/10/562982210.db2.gz	WBXQXTJZCCCEMD-OKILXGFUSA-N	-2	0	432.476	0.162	3	0		ICAFRL
O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c1	ZINC000012472949	562982192	/nfs/dbraw/zinc/98/21/92/562982192.db2.gz	WBXQXTJZCCCEMD-ZIAGYGMSSA-N	-2	0	432.476	0.162	3	0		ICAFRL