smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)Nc1ccccc1	ZINC000013556653	561718705	/nfs/dbraw/zinc/71/87/05/561718705.db2.gz	KPXOJBBXNPBTTL-OALUTQOASA-N	-2	2	507.436	1.194	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)Nc1ccccc1	ZINC000013556653	561718703	/nfs/dbraw/zinc/71/87/03/561718703.db2.gz	KPXOJBBXNPBTTL-OALUTQOASA-N	-2	2	507.436	1.194	1	0		KDAFLL
CCCCCN(C)C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(C)=O	ZINC000013779591	561728915	/nfs/dbraw/zinc/72/89/15/561728915.db2.gz	IDMMWQJRFKHRMJ-OALUTQOASA-N	-2	2	515.500	1.204	1	0		KDAFLL
CCCCCN(C)C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(C)=O	ZINC000013779591	561728914	/nfs/dbraw/zinc/72/89/14/561728914.db2.gz	IDMMWQJRFKHRMJ-OALUTQOASA-N	-2	2	515.500	1.204	1	0		KDAFLL
CNc1nc(Cl)nc2c1ncn2CC(=O)Nc1cc(CP(=O)([O-])O)cc(C[P@](=O)([O-])O)c1	ZINC000013805518	561731367	/nfs/dbraw/zinc/73/13/67/561731367.db2.gz	BNHDIWHFPREEQS-UHFFFAOYSA-N	-2	2	504.764	1.516	1	0		KDAFLL
CNc1nc(Cl)nc2c1ncn2CC(=O)Nc1cc(CP(=O)([O-])O)cc(C[P@@](=O)([O-])O)c1	ZINC000013805518	561731366	/nfs/dbraw/zinc/73/13/66/561731366.db2.gz	BNHDIWHFPREEQS-UHFFFAOYSA-N	-2	2	504.764	1.516	1	0		KDAFLL
CC(=O)N[C@H](Cc1ccc(OCC(=O)[O-])c([P@](=O)([O-])O)c1)C(=O)N[C@@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1	ZINC000014880986	561740063	/nfs/dbraw/zinc/74/00/63/561740063.db2.gz	FXUGQWABROMTDA-GAJHUEQPSA-N	-2	2	619.608	1.936	1	0	in-vivo	KDAFLL
CC(=O)N[C@H](Cc1ccc(OCC(=O)[O-])c([P@@](=O)([O-])O)c1)C(=O)N[C@@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1	ZINC000014880986	561740062	/nfs/dbraw/zinc/74/00/62/561740062.db2.gz	FXUGQWABROMTDA-GAJHUEQPSA-N	-2	2	619.608	1.936	1	0	in-vivo	KDAFLL
CC(=O)N[C@@H](Cc1ccc(OCC(=O)[O-])c([P@](=O)([O-])O)c1)C(=O)N[C@@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1	ZINC000014880990	561740032	/nfs/dbraw/zinc/74/00/32/561740032.db2.gz	FXUGQWABROMTDA-SBUREZEXSA-N	-2	2	619.608	1.936	1	0	in-vivo	KDAFLL
CC(=O)N[C@@H](Cc1ccc(OCC(=O)[O-])c([P@@](=O)([O-])O)c1)C(=O)N[C@@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1	ZINC000014880990	561740030	/nfs/dbraw/zinc/74/00/30/561740030.db2.gz	FXUGQWABROMTDA-SBUREZEXSA-N	-2	2	619.608	1.936	1	0	in-vivo	KDAFLL
CC(=O)N[C@@H](Cc1ccc(OCC(=O)[O-])c([P@](=O)([O-])O)c1)C(=O)Nc1ccc(OCC2CCCCC2)c(C(N)=O)c1	ZINC000026387241	561784819	/nfs/dbraw/zinc/78/48/19/561784819.db2.gz	UGCKVJVLDDLDMW-NRFANRHFSA-N	-2	2	591.554	1.697	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(OCC(=O)[O-])c([P@@](=O)([O-])O)c1)C(=O)Nc1ccc(OCC2CCCCC2)c(C(N)=O)c1	ZINC000026387241	561784818	/nfs/dbraw/zinc/78/48/18/561784818.db2.gz	UGCKVJVLDDLDMW-NRFANRHFSA-N	-2	2	591.554	1.697	1	0		KDAFLL
CC(=O)N[C@H](Cc1ccc(OCC(=O)[O-])c([P@](=O)([O-])O)c1)C(=O)Nc1ccc(OCC2CCCCC2)c(C(N)=O)c1	ZINC000026387244	561784775	/nfs/dbraw/zinc/78/47/75/561784775.db2.gz	UGCKVJVLDDLDMW-OAQYLSRUSA-N	-2	2	591.554	1.697	1	0		KDAFLL
CC(=O)N[C@H](Cc1ccc(OCC(=O)[O-])c([P@@](=O)([O-])O)c1)C(=O)Nc1ccc(OCC2CCCCC2)c(C(N)=O)c1	ZINC000026387244	561784773	/nfs/dbraw/zinc/78/47/73/561784773.db2.gz	UGCKVJVLDDLDMW-OAQYLSRUSA-N	-2	2	591.554	1.697	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])c1nc(Cc2ccccc2)no1	ZINC000026394299	561786543	/nfs/dbraw/zinc/78/65/43/561786543.db2.gz	CSVBCUDGOMFZFB-PMACEKPBSA-N	-2	2	546.473	1.901	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])c1nc(Cc2ccccc2)no1	ZINC000026394299	561786541	/nfs/dbraw/zinc/78/65/41/561786541.db2.gz	CSVBCUDGOMFZFB-PMACEKPBSA-N	-2	2	546.473	1.901	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(OCC(=O)[O-])c([P@](=O)([O-])O)c1)C(=O)NCc1ccc(OCC2CCCCC2)c(C(N)=O)c1	ZINC000026395578	561786770	/nfs/dbraw/zinc/78/67/70/561786770.db2.gz	QMEADOAQEVGOGO-QFIPXVFZSA-N	-2	2	605.581	1.375	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(OCC(=O)[O-])c([P@@](=O)([O-])O)c1)C(=O)NCc1ccc(OCC2CCCCC2)c(C(N)=O)c1	ZINC000026395578	561786769	/nfs/dbraw/zinc/78/67/69/561786769.db2.gz	QMEADOAQEVGOGO-QFIPXVFZSA-N	-2	2	605.581	1.375	1	0		KDAFLL
CC(=O)N[C@H](Cc1ccc(OCC(=O)[O-])c([P@](=O)([O-])O)c1)C(=O)NCc1ccc(OCC2CCCCC2)c(C(N)=O)c1	ZINC000026395582	561786974	/nfs/dbraw/zinc/78/69/74/561786974.db2.gz	QMEADOAQEVGOGO-JOCHJYFZSA-N	-2	2	605.581	1.375	1	0		KDAFLL
CC(=O)N[C@H](Cc1ccc(OCC(=O)[O-])c([P@@](=O)([O-])O)c1)C(=O)NCc1ccc(OCC2CCCCC2)c(C(N)=O)c1	ZINC000026395582	561786973	/nfs/dbraw/zinc/78/69/73/561786973.db2.gz	QMEADOAQEVGOGO-JOCHJYFZSA-N	-2	2	605.581	1.375	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])c1nc(CC(C)C)no1	ZINC000026401039	561788290	/nfs/dbraw/zinc/78/82/90/561788290.db2.gz	IAQQSMVQSMGEIF-IRXDYDNUSA-N	-2	2	512.456	1.509	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])c1nc(CC(C)C)no1	ZINC000026401039	561788288	/nfs/dbraw/zinc/78/82/88/561788288.db2.gz	IAQQSMVQSMGEIF-IRXDYDNUSA-N	-2	2	512.456	1.509	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])c1nc(CCC(C)C)no1	ZINC000026403056	561788893	/nfs/dbraw/zinc/78/88/93/561788893.db2.gz	IUTKJGOWYQJVHT-ROUUACIJSA-N	-2	2	526.483	1.899	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])c1nc(CCC(C)C)no1	ZINC000026403056	561788892	/nfs/dbraw/zinc/78/88/92/561788892.db2.gz	IUTKJGOWYQJVHT-ROUUACIJSA-N	-2	2	526.483	1.899	1	0		KDAFLL
CC[C@H](C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000026828159	561822331	/nfs/dbraw/zinc/82/23/31/561822331.db2.gz	ZNVWRUGZXGDKBO-OPTWNZHXSA-N	-2	2	637.775	1.170	1	0		KDAFLL
O=C([O-])c1cn(C2CC2)c2cc(N3CC[NH+](CC4=C(C(=O)[O-])N5C(=O)[C@@H](NC(=O)[C@@H](C(=O)[O-])c6ccccc6)[C@H]5SC4)CC3)c(F)cc2c1=O	ZINC000027326406	561853730	/nfs/dbraw/zinc/85/37/30/561853730.db2.gz	SQUGKQIRXKPUCA-ADRXYBOHSA-N	-2	2	705.721	1.903	1	0		KDAFLL
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000027438754	561860481	/nfs/dbraw/zinc/86/04/81/561860481.db2.gz	DDNQOBKWMRXUIA-IRGGMKSGSA-N	-2	2	743.817	1.191	1	0		KDAFLL
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000027438754	561860479	/nfs/dbraw/zinc/86/04/79/561860479.db2.gz	DDNQOBKWMRXUIA-IRGGMKSGSA-N	-2	2	743.817	1.191	1	0		KDAFLL
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(=O)[O-])NC(=O)CCc1ccc(O[P@](=O)([O-])O)cc1	ZINC000028226996	561908192	/nfs/dbraw/zinc/90/81/92/561908192.db2.gz	TVSUMVKHPALSSC-RTWAWAEBSA-N	-2	2	560.500	1.134	1	0		KDAFLL
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(=O)[O-])NC(=O)CCc1ccc(O[P@@](=O)([O-])O)cc1	ZINC000028226996	561908191	/nfs/dbraw/zinc/90/81/91/561908191.db2.gz	TVSUMVKHPALSSC-RTWAWAEBSA-N	-2	2	560.500	1.134	1	0		KDAFLL
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)[O-])NC(=O)CCc1ccc(O[P@](=O)([O-])O)cc1	ZINC000028227000	561908204	/nfs/dbraw/zinc/90/82/04/561908204.db2.gz	TVSUMVKHPALSSC-SFTDATJTSA-N	-2	2	560.500	1.134	1	0		KDAFLL
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)[O-])NC(=O)CCc1ccc(O[P@@](=O)([O-])O)cc1	ZINC000028227000	561908203	/nfs/dbraw/zinc/90/82/03/561908203.db2.gz	TVSUMVKHPALSSC-SFTDATJTSA-N	-2	2	560.500	1.134	1	0		KDAFLL
C[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000028227125	561908381	/nfs/dbraw/zinc/90/83/81/561908381.db2.gz	HROVOZHEIWFNCR-YDFBLROQSA-N	-2	2	574.527	1.380	1	0		KDAFLL
C[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000028227125	561908380	/nfs/dbraw/zinc/90/83/80/561908380.db2.gz	HROVOZHEIWFNCR-YDFBLROQSA-N	-2	2	574.527	1.380	1	0		KDAFLL
C[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000028227127	561908321	/nfs/dbraw/zinc/90/83/21/561908321.db2.gz	HROVOZHEIWFNCR-RTOPAQNCSA-N	-2	2	574.527	1.380	1	0		KDAFLL
C[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000028227127	561908319	/nfs/dbraw/zinc/90/83/19/561908319.db2.gz	HROVOZHEIWFNCR-RTOPAQNCSA-N	-2	2	574.527	1.380	1	0		KDAFLL
Cc1cc(O[P@](=O)([O-])O)cc(C)c1CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000028227827	561908487	/nfs/dbraw/zinc/90/84/87/561908487.db2.gz	ZQSAQWQWYHQGAI-GOTSBHOMSA-N	-2	2	588.554	1.751	1	0		KDAFLL
Cc1cc(O[P@@](=O)([O-])O)cc(C)c1CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000028227827	561908486	/nfs/dbraw/zinc/90/84/86/561908486.db2.gz	ZQSAQWQWYHQGAI-GOTSBHOMSA-N	-2	2	588.554	1.751	1	0		KDAFLL
Cc1cc(O[P@](=O)([O-])O)cc(C)c1CCC(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000028227831	561908454	/nfs/dbraw/zinc/90/84/54/561908454.db2.gz	ZQSAQWQWYHQGAI-PKTZIBPZSA-N	-2	2	588.554	1.751	1	0		KDAFLL
Cc1cc(O[P@@](=O)([O-])O)cc(C)c1CCC(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000028227831	561908452	/nfs/dbraw/zinc/90/84/52/561908452.db2.gz	ZQSAQWQWYHQGAI-PKTZIBPZSA-N	-2	2	588.554	1.751	1	0		KDAFLL
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(=O)[O-])NC(=O)/C=C/c1ccc(O[P@](=O)([O-])O)cc1	ZINC000028229317	561908860	/nfs/dbraw/zinc/90/88/60/561908860.db2.gz	NLSRNAKLMOECQH-GLMDRDPRSA-N	-2	2	558.484	1.215	1	0		KDAFLL
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(=O)[O-])NC(=O)/C=C/c1ccc(O[P@@](=O)([O-])O)cc1	ZINC000028229317	561908859	/nfs/dbraw/zinc/90/88/59/561908859.db2.gz	NLSRNAKLMOECQH-GLMDRDPRSA-N	-2	2	558.484	1.215	1	0		KDAFLL
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)[O-])NC(=O)/C=C/c1ccc(O[P@](=O)([O-])O)cc1	ZINC000028229321	561908884	/nfs/dbraw/zinc/90/88/84/561908884.db2.gz	NLSRNAKLMOECQH-GTHXSCLASA-N	-2	2	558.484	1.215	1	0		KDAFLL
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)[O-])NC(=O)/C=C/c1ccc(O[P@@](=O)([O-])O)cc1	ZINC000028229321	561908883	/nfs/dbraw/zinc/90/88/83/561908883.db2.gz	NLSRNAKLMOECQH-GTHXSCLASA-N	-2	2	558.484	1.215	1	0		KDAFLL
CC(=O)NCCN(Cc1ccc(C(F)(F)[P@](=O)([O-])O)cc1)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000028528434	561933008	/nfs/dbraw/zinc/93/30/08/561933008.db2.gz	QSGDYSRGDZHSDW-UHFFFAOYSA-N	-2	2	536.446	1.704	1	0		KDAFLL
CC(=O)NCCN(Cc1ccc(C(F)(F)[P@@](=O)([O-])O)cc1)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000028528434	561933007	/nfs/dbraw/zinc/93/30/07/561933007.db2.gz	QSGDYSRGDZHSDW-UHFFFAOYSA-N	-2	2	536.446	1.704	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N(C)CCCCCCCCO	ZINC000029489834	562029207	/nfs/dbraw/zinc/02/92/07/562029207.db2.gz	YETXXNITUKKFOV-VXKWHMMOSA-N	-2	2	573.580	1.346	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N(C)CCCCCCCCO	ZINC000029489834	562029205	/nfs/dbraw/zinc/02/92/05/562029205.db2.gz	YETXXNITUKKFOV-VXKWHMMOSA-N	-2	2	573.580	1.346	1	0		KDAFLL
CCCCCN(CCC(=O)OCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(C)=O	ZINC000029554570	562031847	/nfs/dbraw/zinc/03/18/47/562031847.db2.gz	CQBHGHTXKHTFNY-VXKWHMMOSA-N	-2	2	601.590	1.527	1	0		KDAFLL
CCCCCN(CCC(=O)OCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(C)=O	ZINC000029554570	562031846	/nfs/dbraw/zinc/03/18/46/562031846.db2.gz	CQBHGHTXKHTFNY-VXKWHMMOSA-N	-2	2	601.590	1.527	1	0		KDAFLL
COc1ccc2[nH]cc(CCNC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc3ccc(O[P@](=O)([O-])O)cc3)NC(C)=O)c2c1	ZINC000029558423	562032561	/nfs/dbraw/zinc/03/25/61/562032561.db2.gz	CVQBERZIUXJCFQ-ZEQRLZLVSA-N	-2	2	604.553	1.404	1	0		KDAFLL
COc1ccc2[nH]cc(CCNC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc3ccc(O[P@@](=O)([O-])O)cc3)NC(C)=O)c2c1	ZINC000029558423	562032560	/nfs/dbraw/zinc/03/25/60/562032560.db2.gz	CVQBERZIUXJCFQ-ZEQRLZLVSA-N	-2	2	604.553	1.404	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)NCCc1c[nH]c2ccc(O)cc12	ZINC000029558426	562032530	/nfs/dbraw/zinc/03/25/30/562032530.db2.gz	WBJBGGUKJFWLOM-GOTSBHOMSA-N	-2	2	590.526	1.101	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)NCCc1c[nH]c2ccc(O)cc12	ZINC000029558426	562032528	/nfs/dbraw/zinc/03/25/28/562032528.db2.gz	WBJBGGUKJFWLOM-GOTSBHOMSA-N	-2	2	590.526	1.101	1	0		KDAFLL
CCCCCN(CCC(=O)[O-])C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(C)=O	ZINC000029558569	562032515	/nfs/dbraw/zinc/03/25/15/562032515.db2.gz	LVMSXFAYMVMLBK-PMACEKPBSA-N	-3	2	573.536	1.048	1	0		KDAFLL
CCCCCN(CCC(=O)[O-])C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(C)=O	ZINC000029558569	562032513	/nfs/dbraw/zinc/03/25/13/562032513.db2.gz	LVMSXFAYMVMLBK-PMACEKPBSA-N	-3	2	573.536	1.048	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N(C)CCc1c[nH]c2ccccc12	ZINC000029558755	562032617	/nfs/dbraw/zinc/03/26/17/562032617.db2.gz	LMFFFKQEDBJGMD-ZEQRLZLVSA-N	-2	2	588.554	1.737	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N(C)CCc1c[nH]c2ccccc12	ZINC000029558755	562032616	/nfs/dbraw/zinc/03/26/16/562032616.db2.gz	LMFFFKQEDBJGMD-ZEQRLZLVSA-N	-2	2	588.554	1.737	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(C(F)(F)[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC1CCCCC1)C(N)=O	ZINC000029559689	562032764	/nfs/dbraw/zinc/03/27/64/562032764.db2.gz	LVVKADMQGHJKID-FKBYEOEOSA-N	-2	2	632.598	1.641	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(C(F)(F)[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC1CCCCC1)C(N)=O	ZINC000029559689	562032762	/nfs/dbraw/zinc/03/27/62/562032762.db2.gz	LVVKADMQGHJKID-FKBYEOEOSA-N	-2	2	632.598	1.641	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc([P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N(C)CCCC1CCCCC1	ZINC000029561470	562033314	/nfs/dbraw/zinc/03/33/14/562033314.db2.gz	AQNWHIVUNHYXGT-GOTSBHOMSA-N	-2	2	553.593	1.705	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc([P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N(C)CCCC1CCCCC1	ZINC000029561470	562033313	/nfs/dbraw/zinc/03/33/13/562033313.db2.gz	AQNWHIVUNHYXGT-GOTSBHOMSA-N	-2	2	553.593	1.705	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N(C)CCCc1c2ccccc2[nH]c1C(N)=O	ZINC000029564649	562034054	/nfs/dbraw/zinc/03/40/54/562034054.db2.gz	MACRVJCMECEOSX-ZEQRLZLVSA-N	-2	2	645.606	1.226	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N(C)CCCc1c2ccccc2[nH]c1C(N)=O	ZINC000029564649	562034052	/nfs/dbraw/zinc/03/40/52/562034052.db2.gz	MACRVJCMECEOSX-ZEQRLZLVSA-N	-2	2	645.606	1.226	1	0		KDAFLL
Nc1ncnc2c1ncn2[C@@H]1C=C[C@H](OC[P@@](=O)([O-])O[P@](=O)([O-])C(F)(F)[P@](=O)([O-])O)C1	ZINC000036447157	562060666	/nfs/dbraw/zinc/06/06/66/562060666.db2.gz	QYSNJCSGAITOGQ-SFYZADRCSA-N	-3	2	505.204	1.368	1	0		KDAFLL
Nc1ncnc2c1ncn2[C@@H]1C=C[C@H](OC[P@@](=O)([O-])O[P@](=O)([O-])C(F)(F)[P@@](=O)([O-])O)C1	ZINC000036447157	562060665	/nfs/dbraw/zinc/06/06/65/562060665.db2.gz	QYSNJCSGAITOGQ-SFYZADRCSA-N	-3	2	505.204	1.368	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N(C)CCCc1ccccc1	ZINC000037858195	562061837	/nfs/dbraw/zinc/06/18/37/562061837.db2.gz	XZBNAADTXNUMGF-GOTSBHOMSA-N	-2	2	563.544	1.646	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N(C)CCCc1ccccc1	ZINC000037858195	562061835	/nfs/dbraw/zinc/06/18/35/562061835.db2.gz	XZBNAADTXNUMGF-GOTSBHOMSA-N	-2	2	563.544	1.646	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N(CCCC(=O)[O-])CCCc1ccccc1	ZINC000037858198	562061725	/nfs/dbraw/zinc/06/17/25/562061725.db2.gz	IUGPAIOEDABMHE-DQEYMECFSA-N	-3	2	635.607	1.881	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N(CCCC(=O)[O-])CCCc1ccccc1	ZINC000037858198	562061723	/nfs/dbraw/zinc/06/17/23/562061723.db2.gz	IUGPAIOEDABMHE-DQEYMECFSA-N	-3	2	635.607	1.881	1	0		KDAFLL
CCc1ccccc1CCNC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(C)=O	ZINC000037858199	562061788	/nfs/dbraw/zinc/06/17/88/562061788.db2.gz	RNPFMYKBRIEOEE-GOTSBHOMSA-N	-2	2	563.544	1.476	1	0		KDAFLL
CCc1ccccc1CCNC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(C)=O	ZINC000037858199	562061786	/nfs/dbraw/zinc/06/17/86/562061786.db2.gz	RNPFMYKBRIEOEE-GOTSBHOMSA-N	-2	2	563.544	1.476	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)NCCCc1ccccc1	ZINC000037858200	562061782	/nfs/dbraw/zinc/06/17/82/562061782.db2.gz	AYGIVRKOPCXISK-VXKWHMMOSA-N	-2	2	549.517	1.304	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)NCCCc1ccccc1	ZINC000037858200	562061781	/nfs/dbraw/zinc/06/17/81/562061781.db2.gz	AYGIVRKOPCXISK-VXKWHMMOSA-N	-2	2	549.517	1.304	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(N)=O)Cc1cccc2ccccc21	ZINC000037858205	562061794	/nfs/dbraw/zinc/06/17/94/562061794.db2.gz	XPTOYQKDPLGNPU-YGPDHOBYSA-N	-2	2	656.629	1.701	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(N)=O)Cc1cccc2ccccc21	ZINC000037858205	562061792	/nfs/dbraw/zinc/06/17/92/562061792.db2.gz	XPTOYQKDPLGNPU-YGPDHOBYSA-N	-2	2	656.629	1.701	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)NCC(=O)N(CCCC(=O)[O-])CCCc1ccccc1	ZINC000043627921	562650297	/nfs/dbraw/zinc/65/02/97/562650297.db2.gz	CXCQOMQMWKXEDU-QHCPKHFHSA-N	-2	2	563.544	1.648	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)NCC(=O)N(CCCC(=O)[O-])CCCc1ccccc1	ZINC000043627921	562650296	/nfs/dbraw/zinc/65/02/96/562650296.db2.gz	CXCQOMQMWKXEDU-QHCPKHFHSA-N	-2	2	563.544	1.648	1	0		KDAFLL
O=C([O-])CCCNC(=O)[C@@H]1Cc2cccc3c2N1C(=O)[C@@H](NC(=O)/C=C/c1ccc(O[P@@](=O)([O-])O)cc1)CC3	ZINC000044430532	562657551	/nfs/dbraw/zinc/65/75/51/562657551.db2.gz	ZLCMNDTYANSVHL-WFZQJCLNSA-N	-2	2	557.496	1.541	1	0		KDAFLL
O=C([O-])CCCNC(=O)[C@@H]1Cc2cccc3c2N1C(=O)[C@@H](NC(=O)/C=C/c1ccc(O[P@](=O)([O-])O)cc1)CC3	ZINC000044430532	562657550	/nfs/dbraw/zinc/65/75/50/562657550.db2.gz	ZLCMNDTYANSVHL-WFZQJCLNSA-N	-2	2	557.496	1.541	1	0		KDAFLL
CC(C)C[C@H](NC(=O)/C=C/c1ccc(OP(=O)([O-])[O-])cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1CCC(N)=O	ZINC000049710671	562671787	/nfs/dbraw/zinc/67/17/87/562671787.db2.gz	XVTPMDGKRKDQLY-ZRJFIBTNSA-N	-2	2	578.603	1.950	1	0		KDAFLL
C[C@]12CC[C@@H]3c4ccc(OC(=O)CC(=O)NC(P(=O)([O-])O)[P@](=O)([O-])O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O	ZINC000049771302	562678082	/nfs/dbraw/zinc/67/80/82/562678082.db2.gz	XZXIIXSDVQUKFQ-GBSAAQIZSA-N	-2	2	531.435	1.954	1	0		KDAFLL
C[C@]12CC[C@@H]3c4ccc(OC(=O)CC(=O)NC(P(=O)([O-])O)[P@@](=O)([O-])O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O	ZINC000049771302	562678081	/nfs/dbraw/zinc/67/80/81/562678081.db2.gz	XZXIIXSDVQUKFQ-GBSAAQIZSA-N	-2	2	531.435	1.954	1	0		KDAFLL
O=C([O-])c1cn(C2CC2)c2cc(N3CC[NH+](CC4=C(C(=O)[O-])N5C(=O)[C@@H](NC(=O)[C@H](C(=O)[O-])c6ccccc6)[C@H]5SC4)CC3)c(F)cc2c1=O	ZINC000058618240	562701092	/nfs/dbraw/zinc/70/10/92/562701092.db2.gz	SQUGKQIRXKPUCA-KQECVKDNSA-N	-2	2	705.721	1.903	1	0		KDAFLL
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO[P@](=O)([O-])O)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000084596840	562743835	/nfs/dbraw/zinc/74/38/35/562743835.db2.gz	SSXRSILIIUFIKJ-XLXZRNDBSA-N	-2	2	660.661	1.157	1	0		KDAFLL
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO[P@@](=O)([O-])O)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000084596840	562743834	/nfs/dbraw/zinc/74/38/34/562743834.db2.gz	SSXRSILIIUFIKJ-XLXZRNDBSA-N	-2	2	660.661	1.157	1	0		KDAFLL
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO[P@](=O)([O-])O)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000084596841	562743807	/nfs/dbraw/zinc/74/38/07/562743807.db2.gz	QYSZXJDRDHKBNR-OBXRUURASA-N	-2	2	674.688	1.547	1	0		KDAFLL
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO[P@@](=O)([O-])O)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000084596841	562743806	/nfs/dbraw/zinc/74/38/06/562743806.db2.gz	QYSZXJDRDHKBNR-OBXRUURASA-N	-2	2	674.688	1.547	1	0		KDAFLL
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO[P@](=O)([O-])O)NC(=O)Cc1cccc2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000084616360	562744633	/nfs/dbraw/zinc/74/46/33/562744633.db2.gz	LZCXRLIESIUZOM-NUISNXNRSA-N	-2	2	696.694	1.920	1	0		KDAFLL
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO[P@@](=O)([O-])O)NC(=O)Cc1cccc2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000084616360	562744632	/nfs/dbraw/zinc/74/46/32/562744632.db2.gz	LZCXRLIESIUZOM-NUISNXNRSA-N	-2	2	696.694	1.920	1	0		KDAFLL
COc1ccc(CCC(=O)N[C@@H](CO[P@](=O)([O-])O)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C(C)C)cc1OC	ZINC000084616860	562744723	/nfs/dbraw/zinc/74/47/23/562744723.db2.gz	JNNPOWRGJTZBMI-MGQBIDJDSA-N	-2	2	720.713	1.174	1	0		KDAFLL
COc1ccc(CCC(=O)N[C@@H](CO[P@@](=O)([O-])O)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C(C)C)cc1OC	ZINC000084616860	562744722	/nfs/dbraw/zinc/74/47/22/562744722.db2.gz	JNNPOWRGJTZBMI-MGQBIDJDSA-N	-2	2	720.713	1.174	1	0		KDAFLL
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO[P@](=O)([O-])O)NC(=O)C/C=C/c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000084617183	562744745	/nfs/dbraw/zinc/74/47/45/562744745.db2.gz	JNGLLCKBGPPDNK-UFUBUQPPSA-N	-2	2	672.672	1.628	1	0		KDAFLL
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO[P@@](=O)([O-])O)NC(=O)C/C=C/c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000084617183	562744744	/nfs/dbraw/zinc/74/47/44/562744744.db2.gz	JNGLLCKBGPPDNK-UFUBUQPPSA-N	-2	2	672.672	1.628	1	0		KDAFLL
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO[P@](=O)([O-])O)NC(=O)CCCCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000084617858	562745018	/nfs/dbraw/zinc/74/50/18/562745018.db2.gz	SADYPEIIXGGIJS-QFVIIZQESA-N	-2	2	688.715	1.937	1	0		KDAFLL
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO[P@@](=O)([O-])O)NC(=O)CCCCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000084617858	562745017	/nfs/dbraw/zinc/74/50/17/562745017.db2.gz	SADYPEIIXGGIJS-QFVIIZQESA-N	-2	2	688.715	1.937	1	0		KDAFLL
CCCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC000095547564	562758802	/nfs/dbraw/zinc/75/88/02/562758802.db2.gz	XTVSXYHVHUKZLP-QKUYTOGTSA-N	-2	2	807.902	1.753	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CO[P@](=O)([O-])O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C(C)C	ZINC000095550449	562760200	/nfs/dbraw/zinc/76/02/00/562760200.db2.gz	IYFGFQHOXIFALA-XDIGFQIYSA-N	-2	2	767.773	1.425	1	0		KDAFLL
CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CO[P@@](=O)([O-])O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C(C)C	ZINC000095550449	562760199	/nfs/dbraw/zinc/76/01/99/562760199.db2.gz	IYFGFQHOXIFALA-XDIGFQIYSA-N	-2	2	767.773	1.425	1	0		KDAFLL
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)c1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000095551837	562760507	/nfs/dbraw/zinc/76/05/07/562760507.db2.gz	DCEKAJDMUXCPRY-UQPWSHDPSA-N	-5	2	822.758	1.149	1	0		KDAFLL
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)c1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000095551837	562760506	/nfs/dbraw/zinc/76/05/06/562760506.db2.gz	DCEKAJDMUXCPRY-UQPWSHDPSA-N	-5	2	822.758	1.149	1	0		KDAFLL
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)c1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000095551838	562760475	/nfs/dbraw/zinc/76/04/75/562760475.db2.gz	DCEKAJDMUXCPRY-CSIIBGTLSA-N	-5	2	822.758	1.149	1	0		KDAFLL
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)c1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000095551838	562760474	/nfs/dbraw/zinc/76/04/74/562760474.db2.gz	DCEKAJDMUXCPRY-CSIIBGTLSA-N	-5	2	822.758	1.149	1	0		KDAFLL
CC(=O)N[C@@H](CSC(=S)[N-]c1ccc(NC(=S)SC[C@H](NC(C)=O)C(=O)[O-])cc1)C(=O)[O-]	ZINC000136933934	562831313	/nfs/dbraw/zinc/83/13/13/562831313.db2.gz	HTRJZMPLPYYXIN-KBPBESRZSA-N	-3	2	518.664	1.725	1	0		KDAFLL
CC(=O)N[C@@H](CSC(=S)Nc1ccc(NC(=S)SC[C@H](NC(C)=O)C(=O)[O-])cc1)C(=O)[O-]	ZINC000136933934	562831312	/nfs/dbraw/zinc/83/13/12/562831312.db2.gz	HTRJZMPLPYYXIN-KBPBESRZSA-N	-2	2	518.664	1.725	1	0		KDAFLL
O=C([O-])c1ccc(-c2cccc(-c3ncnc4c3ncn4[C@@H]3O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]3O)c2)cc1	ZINC000299828366	562884452	/nfs/dbraw/zinc/88/44/52/562884452.db2.gz	UUOGQUYTBJZJGC-KREFBHGWSA-N	-2	2	528.414	1.587	1	0		KDAFLL
O=C([O-])c1ccc(-c2cccc(-c3ncnc4c3ncn4[C@@H]3O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]3O)c2)cc1	ZINC000299828366	562884451	/nfs/dbraw/zinc/88/44/51/562884451.db2.gz	UUOGQUYTBJZJGC-KREFBHGWSA-N	-2	2	528.414	1.587	1	0		KDAFLL
CC(=O)N[C@@H](CSC(=S)[N-]c1cccc(NC(=S)SC[C@H](NC(C)=O)C(=O)[O-])c1)C(=O)[O-]	ZINC000653762736	562911445	/nfs/dbraw/zinc/91/14/45/562911445.db2.gz	DJDPJXVXVFRQII-KBPBESRZSA-N	-3	2	518.664	1.725	1	0		KDAFLL
CC(=O)N[C@@H](CSC(=S)Nc1cccc(NC(=S)SC[C@H](NC(C)=O)C(=O)[O-])c1)C(=O)[O-]	ZINC000653762736	562911444	/nfs/dbraw/zinc/91/14/44/562911444.db2.gz	DJDPJXVXVFRQII-KBPBESRZSA-N	-2	2	518.664	1.725	1	0		KDAFLL
CC(=O)N[C@@H](CSC(=S)NC[C@@H]1CCC[C@H](CNC(=S)SC[C@H](NC(C)=O)C(=O)[O-])C1)C(=O)[O-]	ZINC000653762782	562911472	/nfs/dbraw/zinc/91/14/72/562911472.db2.gz	KMYQMHQDPSVNFO-FZKCQIBNSA-N	-2	2	552.766	1.187	1	0		KDAFLL