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)c(N)c(NCC(=O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[nH]1	ZINC000008220283	574412837	/nfs/dbraw/zinc/41/28/37/574412837.db2.gz	ZJYBJXKSWQPKFW-INEUFUBQSA-N	-3	2	513.186	-3.020	1	0	endogenous,in-man	KAAFLL
Nc1nc(=O)c(N)c(NCC(=O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[nH]1	ZINC000008220283	574412836	/nfs/dbraw/zinc/41/28/36/574412836.db2.gz	ZJYBJXKSWQPKFW-INEUFUBQSA-N	-3	2	513.186	-3.020	1	0	endogenous,in-man	KAAFLL
Nc1nc(=O)c(N)c(NCC(=O)[C@H](O)[C@@H](O)CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[nH]1	ZINC000008220285	574412804	/nfs/dbraw/zinc/41/28/04/574412804.db2.gz	ZJYBJXKSWQPKFW-NJGYIYPDSA-N	-3	2	513.186	-3.020	1	0	endogenous,in-man	KAAFLL
Nc1nc(=O)c(N)c(NCC(=O)[C@H](O)[C@@H](O)CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[nH]1	ZINC000008220285	574412803	/nfs/dbraw/zinc/41/28/03/574412803.db2.gz	ZJYBJXKSWQPKFW-NJGYIYPDSA-N	-3	2	513.186	-3.020	1	0	endogenous,in-man	KAAFLL
C[C@H]1Nc2nc(N)[nH]c(=O)c2N=C1[C@](C)(O)[C@H](O)CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O	ZINC000008220289	560207356	/nfs/dbraw/zinc/20/73/56/560207356.db2.gz	SYGJNAREMBIOCC-RDSNPXOSSA-N	-3	2	523.225	-1.306	1	0	in-vitro	KAAFLL
C[C@H]1Nc2nc(N)[nH]c(=O)c2N=C1[C@](C)(O)[C@H](O)CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O	ZINC000008220289	560207354	/nfs/dbraw/zinc/20/73/54/560207354.db2.gz	SYGJNAREMBIOCC-RDSNPXOSSA-N	-3	2	523.225	-1.306	1	0	in-vitro	KAAFLL
C[C@@H]1Nc2nc(N)[nH]c(=O)c2N=C1[C@@](C)(O)[C@H](O)CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O	ZINC000008220295	560207640	/nfs/dbraw/zinc/20/76/40/560207640.db2.gz	SYGJNAREMBIOCC-XOGFGSHOSA-N	-3	2	523.225	-1.306	1	0	in-vitro	KAAFLL
C[C@@H]1Nc2nc(N)[nH]c(=O)c2N=C1[C@@](C)(O)[C@H](O)CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O	ZINC000008220295	560207639	/nfs/dbraw/zinc/20/76/39/560207639.db2.gz	SYGJNAREMBIOCC-XOGFGSHOSA-N	-3	2	523.225	-1.306	1	0	in-vitro	KAAFLL
Nc1[nH+]cnc2c1ccn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000013523832	561717197	/nfs/dbraw/zinc/71/71/97/561717197.db2.gz	GVVRDIINMFAFEO-KCGFPETGSA-N	-2	2	506.194	-1.024	1	0	in-vitro	KAAFLL
Nc1[nH+]cnc2c1ccn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000013523832	561717196	/nfs/dbraw/zinc/71/71/96/561717196.db2.gz	GVVRDIINMFAFEO-KCGFPETGSA-N	-2	2	506.194	-1.024	1	0	in-vitro	KAAFLL
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)NC(C)=O)C(N)=O	ZINC000018847030	561758279	/nfs/dbraw/zinc/75/82/79/561758279.db2.gz	AXCUYEJNXUJBEN-ZHAMKKIJSA-N	-3	2	673.613	-1.079	1	0		KAAFLL
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)NC(C)=O)C(N)=O	ZINC000018847030	561758278	/nfs/dbraw/zinc/75/82/78/561758278.db2.gz	AXCUYEJNXUJBEN-ZHAMKKIJSA-N	-3	2	673.613	-1.079	1	0		KAAFLL
NS(=O)(=O)c1nc2ccc(NC(=O)CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])cc2s1	ZINC000022925494	561759678	/nfs/dbraw/zinc/75/96/78/561759678.db2.gz	QLAINDQUPRIUQD-UHFFFAOYSA-N	-2	2	503.515	-1.260	1	0		KAAFLL
NS(=O)(=O)c1nc2ccc(OC(=O)CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])cc2s1	ZINC000022925499	561759675	/nfs/dbraw/zinc/75/96/75/561759675.db2.gz	XRYIGRCTVWSVLX-UHFFFAOYSA-N	-2	2	504.499	-1.293	1	0		KAAFLL
Nc1ccn([C@H]2C[C@H](O[P@](=O)([O-])OC[C@H]3OC[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]3O)[C@@H](CO[P@](=O)([O-])O)O2)c(=O)n1	ZINC000026295699	561781476	/nfs/dbraw/zinc/78/14/76/561781476.db2.gz	WGIAJLAXTLAWOI-LWHUEDLUSA-N	-2	2	597.367	-2.425	1	0		KAAFLL
Nc1ccn([C@H]2C[C@H](O[P@](=O)([O-])OC[C@H]3OC[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]3O)[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)n1	ZINC000026295699	561781474	/nfs/dbraw/zinc/78/14/74/561781474.db2.gz	WGIAJLAXTLAWOI-LWHUEDLUSA-N	-2	2	597.367	-2.425	1	0		KAAFLL
CSCC[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H]2CCCN2C1=O	ZINC000026575934	561799716	/nfs/dbraw/zinc/79/97/16/561799716.db2.gz	KQTRJYOCCCZMAC-NZTMGFNQSA-N	-2	2	672.758	-2.456	1	0		KAAFLL
C[C@@H](O)[C@@H]1NC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(=O)[O-])NC1=O	ZINC000026576939	561800851	/nfs/dbraw/zinc/80/08/51/561800851.db2.gz	VDXOCDPHBGONDV-HVJPIISISA-N	-2	2	632.627	-2.862	1	0		KAAFLL
C[C@@H](O)[C@@H]1NC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(=O)[O-])NC1=O	ZINC000026576940	561800841	/nfs/dbraw/zinc/80/08/41/561800841.db2.gz	YMXMOEVTBSOQPF-OWORMZBRSA-N	-2	2	646.654	-2.992	1	0		KAAFLL
CC(C)C[C@@H]1NC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(=O)[O-])NC1=O	ZINC000026577028	561800836	/nfs/dbraw/zinc/80/08/36/561800836.db2.gz	CDPLIOZBTBTAQP-KAJFWMAUSA-N	-2	2	662.697	-2.452	1	0		KAAFLL
CC(C)C[C@@H]1NC(=O)[C@@H](C2CCCCC2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(=O)[O-])NC1=O	ZINC000026577030	561800835	/nfs/dbraw/zinc/80/08/35/561800835.db2.gz	DHTUXCAUXNVRNO-CFXDIPDLSA-N	-2	2	680.756	-1.628	1	0		KAAFLL
CCCC(=O)OCCN(CC[N@@H+](CCOC(=O)CCC)CC(=O)N(CC(=O)[O-])CC(=O)[O-])CC(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000026729061	561816446	/nfs/dbraw/zinc/81/64/46/561816446.db2.gz	XOSPIVRFJZYFPT-UHFFFAOYSA-N	-3	2	634.636	-1.727	1	0		KAAFLL
CCCC(=O)OCCN(CC[N@H+](CCOC(=O)CCC)CC(=O)N(CC(=O)[O-])CC(=O)[O-])CC(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000026729061	561816444	/nfs/dbraw/zinc/81/64/44/561816444.db2.gz	XOSPIVRFJZYFPT-UHFFFAOYSA-N	-3	2	634.636	-1.727	1	0		KAAFLL
CCCC(=O)OCC[N@@H+](CCN(CCOC(C)=O)CC(=O)N(CC(=O)[O-])CC(=O)[O-])CC(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000026729472	561816510	/nfs/dbraw/zinc/81/65/10/561816510.db2.gz	ISCFVXQBLYXZNA-UHFFFAOYSA-N	-3	2	606.582	-2.508	1	0		KAAFLL
CCCC(=O)OCC[N@H+](CCN(CCOC(C)=O)CC(=O)N(CC(=O)[O-])CC(=O)[O-])CC(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000026729472	561816509	/nfs/dbraw/zinc/81/65/09/561816509.db2.gz	ISCFVXQBLYXZNA-UHFFFAOYSA-N	-3	2	606.582	-2.508	1	0		KAAFLL
CCCC(=O)OCCN(CC[N@@H+](CCOC(C)=O)CC(=O)N(CC(=O)[O-])CC(=O)[O-])CC(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000026729472	561816508	/nfs/dbraw/zinc/81/65/08/561816508.db2.gz	ISCFVXQBLYXZNA-UHFFFAOYSA-N	-3	2	606.582	-2.508	1	0		KAAFLL
CCCC(=O)OCCN(CC[N@H+](CCOC(C)=O)CC(=O)N(CC(=O)[O-])CC(=O)[O-])CC(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000026729472	561816507	/nfs/dbraw/zinc/81/65/07/561816507.db2.gz	ISCFVXQBLYXZNA-UHFFFAOYSA-N	-3	2	606.582	-2.508	1	0		KAAFLL
Nc1ccn([C@@H]2C[C@@H](O[P@](=O)([O-])OC[C@H]3OC[C@H](n4ccc(N)nc4=O)[C@H]3O)[C@@H](CO[P@](=O)([O-])O)O2)c(=O)n1	ZINC000026732376	561816897	/nfs/dbraw/zinc/81/68/97/561816897.db2.gz	GDBBIZDJHJJKFU-PIPSYRGBSA-N	-2	2	596.383	-2.136	1	0		KAAFLL
Nc1ccn([C@@H]2C[C@@H](O[P@](=O)([O-])OC[C@H]3OC[C@H](n4ccc(N)nc4=O)[C@H]3O)[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)n1	ZINC000026732376	561816894	/nfs/dbraw/zinc/81/68/94/561816894.db2.gz	GDBBIZDJHJJKFU-PIPSYRGBSA-N	-2	2	596.383	-2.136	1	0		KAAFLL
Nc1ccn([C@H]2C[C@@H](O[P@@](=O)([O-])OC[C@H]3OC[C@H](n4ccc(N)nc4=O)[C@H]3O)[C@@H](CO[P@](=O)([O-])O)O2)c(=O)n1	ZINC000026732381	561816904	/nfs/dbraw/zinc/81/69/04/561816904.db2.gz	GDBBIZDJHJJKFU-GGWPKJOLSA-N	-2	2	596.383	-2.136	1	0		KAAFLL
Nc1ccn([C@H]2C[C@@H](O[P@@](=O)([O-])OC[C@H]3OC[C@H](n4ccc(N)nc4=O)[C@H]3O)[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)n1	ZINC000026732381	561816903	/nfs/dbraw/zinc/81/69/03/561816903.db2.gz	GDBBIZDJHJJKFU-GGWPKJOLSA-N	-2	2	596.383	-2.136	1	0		KAAFLL
CCC(=O)OCCN(CC[N@@H+](CCOC(=O)CC)CC(=O)N(CC(=O)[O-])CC(=O)[O-])CC(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000026734982	561817292	/nfs/dbraw/zinc/81/72/92/561817292.db2.gz	QOKXGGFZJAMAKX-UHFFFAOYSA-N	-3	2	606.582	-2.508	1	0		KAAFLL
CCC(=O)OCCN(CC[N@H+](CCOC(=O)CC)CC(=O)N(CC(=O)[O-])CC(=O)[O-])CC(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000026734982	561817291	/nfs/dbraw/zinc/81/72/91/561817291.db2.gz	QOKXGGFZJAMAKX-UHFFFAOYSA-N	-3	2	606.582	-2.508	1	0		KAAFLL
CC(=O)OCCN(CC[N@@H+](CCOC(C)=O)CC(=O)N(CC(=O)[O-])CC(=O)[O-])CC(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000026736180	561817466	/nfs/dbraw/zinc/81/74/66/561817466.db2.gz	GOMXDCQGYLXCIS-UHFFFAOYSA-N	-3	2	578.528	-3.288	1	0		KAAFLL
CC(=O)OCCN(CC[N@H+](CCOC(C)=O)CC(=O)N(CC(=O)[O-])CC(=O)[O-])CC(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000026736180	561817465	/nfs/dbraw/zinc/81/74/65/561817465.db2.gz	GOMXDCQGYLXCIS-UHFFFAOYSA-N	-3	2	578.528	-3.288	1	0		KAAFLL
CC[C@@H](C)[C@H](NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]([NH3+])Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)[O-])C(=O)[O-]	ZINC000026836706	561824509	/nfs/dbraw/zinc/82/45/09/561824509.db2.gz	FVRIZHMVXYQXNC-CKOFRJKFSA-N	-3	2	618.533	-1.048	1	0		KAAFLL
CC[C@@H](C)[C@H](NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]([NH3+])Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)[O-])C(=O)[O-]	ZINC000026836706	561824508	/nfs/dbraw/zinc/82/45/08/561824508.db2.gz	FVRIZHMVXYQXNC-CKOFRJKFSA-N	-3	2	618.533	-1.048	1	0		KAAFLL
CC(C)[C@H](NC(=O)C[C@@H](CCC(=O)[O-])NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)[O-])C(=O)[O-]	ZINC000026837395	561824799	/nfs/dbraw/zinc/82/47/99/561824799.db2.gz	KTGIAVLDZSXKIF-OPGCRTJHSA-N	-3	2	604.506	-1.438	1	0		KAAFLL
CC(C)[C@H](NC(=O)C[C@@H](CCC(=O)[O-])NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)[O-])C(=O)[O-]	ZINC000026837395	561824798	/nfs/dbraw/zinc/82/47/98/561824798.db2.gz	KTGIAVLDZSXKIF-OPGCRTJHSA-N	-3	2	604.506	-1.438	1	0		KAAFLL
CC[C@@H](C)[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)[O-])C(=O)[O-]	ZINC000026840174	561825551	/nfs/dbraw/zinc/82/55/51/561825551.db2.gz	GVXRZOCXHKCOFQ-CKOFRJKFSA-N	-3	2	618.533	-1.048	1	0		KAAFLL
CC[C@@H](C)[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)[O-])C(=O)[O-]	ZINC000026840174	561825549	/nfs/dbraw/zinc/82/55/49/561825549.db2.gz	GVXRZOCXHKCOFQ-CKOFRJKFSA-N	-3	2	618.533	-1.048	1	0		KAAFLL
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(N)=O	ZINC000027102711	561839247	/nfs/dbraw/zinc/83/92/47/561839247.db2.gz	XMPAXFKPWIBALJ-JAEJYZBISA-N	-2	2	735.688	-1.193	1	0		KAAFLL
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(N)=O	ZINC000027102711	561839246	/nfs/dbraw/zinc/83/92/46/561839246.db2.gz	XMPAXFKPWIBALJ-JAEJYZBISA-N	-2	2	735.688	-1.193	1	0		KAAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000027415623	561857065	/nfs/dbraw/zinc/85/70/65/561857065.db2.gz	STDMLJYGJGXNHM-MUGJNUQGSA-N	-2	2	658.602	-2.069	1	0		KAAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000027415623	561857064	/nfs/dbraw/zinc/85/70/64/561857064.db2.gz	STDMLJYGJGXNHM-MUGJNUQGSA-N	-2	2	658.602	-2.069	1	0		KAAFLL
CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000027438121	561860436	/nfs/dbraw/zinc/86/04/36/561860436.db2.gz	WXCDFLYGGRZSJW-HVTWWXFQSA-N	-2	2	725.736	-1.975	1	0		KAAFLL
CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000027438121	561860434	/nfs/dbraw/zinc/86/04/34/561860434.db2.gz	WXCDFLYGGRZSJW-HVTWWXFQSA-N	-2	2	725.736	-1.975	1	0		KAAFLL
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](C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O	ZINC000028245929	561910771	/nfs/dbraw/zinc/91/07/71/561910771.db2.gz	UOAMYAGJDDEXPZ-VNQMDCFXSA-N	-2	2	645.603	-1.563	1	0		KAAFLL
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](C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O	ZINC000028245929	561910769	/nfs/dbraw/zinc/91/07/69/561910769.db2.gz	UOAMYAGJDDEXPZ-VNQMDCFXSA-N	-2	2	645.603	-1.563	1	0		KAAFLL
CNC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(C)=O	ZINC000028767569	561959930	/nfs/dbraw/zinc/95/99/30/561959930.db2.gz	XIEHJYPEFGDPBR-ULQDDVLXSA-N	-3	2	574.480	-1.350	1	0		KAAFLL
CNC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(C)=O	ZINC000028767569	561959928	/nfs/dbraw/zinc/95/99/28/561959928.db2.gz	XIEHJYPEFGDPBR-ULQDDVLXSA-N	-3	2	574.480	-1.350	1	0		KAAFLL
NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])c(Cl)c1Cl	ZINC000029241263	562010146	/nfs/dbraw/zinc/01/01/46/562010146.db2.gz	MUIYQCXBTUDWMK-UHFFFAOYSA-N	-2	2	594.408	-1.916	1	0		KAAFLL
NS(=O)(=O)c1nc2ccc(NC(=O)CN(CCOCCOCC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])cc2s1	ZINC000029242938	562010381	/nfs/dbraw/zinc/01/03/81/562010381.db2.gz	IMIUBDGXYBCWQZ-UHFFFAOYSA-N	-2	2	591.621	-1.227	1	0		KAAFLL
NS(=O)(=O)c1ccc(NC(=O)CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])c(Br)c1	ZINC000029243617	562010486	/nfs/dbraw/zinc/01/04/86/562010486.db2.gz	KSQZUQOMOBLSQE-UHFFFAOYSA-N	-2	2	525.334	-1.107	1	0		KAAFLL
Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)CN(CCOCCOCC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]	ZINC000029243987	562010480	/nfs/dbraw/zinc/01/04/80/562010480.db2.gz	DWHIYVFXUXUJOW-KNTRCKAVSA-N	-2	2	556.576	-3.553	1	0		KAAFLL
NS(=O)(=O)c1nc2ccc(OC(=O)CN(CCOCCOCC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])cc2s1	ZINC000029245412	562010701	/nfs/dbraw/zinc/01/07/01/562010701.db2.gz	HVFXPRVDRFNNGG-UHFFFAOYSA-N	-2	2	592.605	-1.260	1	0		KAAFLL
NS(=O)(=O)c1nnc(NC(=O)CN(CCOCCOCC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])s1	ZINC000029245557	562010683	/nfs/dbraw/zinc/01/06/83/562010683.db2.gz	HZIBHMJTXCXCNZ-UHFFFAOYSA-N	-2	2	542.549	-2.985	1	0		KAAFLL
NS(=O)(=O)c1ccc(NC(=O)CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])c(I)c1	ZINC000029247499	562010807	/nfs/dbraw/zinc/01/08/07/562010807.db2.gz	ZPJQEBKYZLDBKT-UHFFFAOYSA-N	-2	2	572.334	-1.265	1	0		KAAFLL
NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])s1	ZINC000029247872	562010867	/nfs/dbraw/zinc/01/08/67/562010867.db2.gz	XKHSVUSPZVNCOT-UHFFFAOYSA-N	-2	2	525.522	-3.512	1	0		KAAFLL
NS(=O)(=O)c1nc2ccc(OCCOC(=O)CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])cc2s1	ZINC000029248211	562010895	/nfs/dbraw/zinc/01/08/95/562010895.db2.gz	XXOJIRVATXUFCB-UHFFFAOYSA-N	-2	2	548.552	-1.277	1	0		KAAFLL
NS(=O)(=O)c1nc2ccc(OCCOC(=O)CN(CCOCCOCC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])cc2s1	ZINC000029250675	562011105	/nfs/dbraw/zinc/01/11/05/562011105.db2.gz	ZMYFLSKLOJVQBK-UHFFFAOYSA-N	-2	2	636.658	-1.243	1	0		KAAFLL
CC(=O)N[C@@H]1[C@@H](O[C@H](C)C(=O)N[C@@H](C)[P@](=O)([O-])C[C@@H](CCC(=O)[O-])C(=O)[O-])[C@H](O)[C@@H](CO)O[C@H]1OP(=O)([O-])O	ZINC000029394798	562018307	/nfs/dbraw/zinc/01/83/07/562018307.db2.gz	MKKNQQYVTDONAU-RCFSYYMBSA-N	-4	2	608.427	-2.250	1	0		KAAFLL
CC(=O)N[C@@H]1[C@@H](O[C@H](C)C(=O)N[C@@H](C)[P@@](=O)([O-])C[C@@H](CCC(=O)[O-])C(=O)[O-])[C@H](O)[C@@H](CO)O[C@H]1OP(=O)([O-])O	ZINC000029394798	562018305	/nfs/dbraw/zinc/01/83/05/562018305.db2.gz	MKKNQQYVTDONAU-RCFSYYMBSA-N	-4	2	608.427	-2.250	1	0		KAAFLL
CC(=O)N[C@@H]1[C@@H](O[C@H](C)C(=O)N[C@@H](C)P(=O)([O-])C[C@@H](CCC(=O)[O-])C(=O)[O-])[C@H](O)[C@@H](CO)O[C@H]1O[P@](=O)([O-])O	ZINC000029394798	562018304	/nfs/dbraw/zinc/01/83/04/562018304.db2.gz	MKKNQQYVTDONAU-RCFSYYMBSA-N	-4	2	608.427	-2.250	1	0		KAAFLL
CC(=O)N[C@@H]1[C@@H](O[C@H](C)C(=O)N[C@@H](C)P(=O)([O-])C[C@@H](CCC(=O)[O-])C(=O)[O-])[C@H](O)[C@@H](CO)O[C@H]1O[P@@](=O)([O-])O	ZINC000029394798	562018303	/nfs/dbraw/zinc/01/83/03/562018303.db2.gz	MKKNQQYVTDONAU-RCFSYYMBSA-N	-4	2	608.427	-2.250	1	0		KAAFLL
Nc1nc2c([nH]c(=O)n2[C@@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O[P@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000032840986	574414081	/nfs/dbraw/zinc/41/40/81/574414081.db2.gz	BUZOGVVQWCXXDP-LMVFSUKVSA-N	-3	2	523.181	-2.013	1	0	endogenous,in-man	KAAFLL
Nc1nc2c([nH]c(=O)n2[C@@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O[P@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000032840986	574414080	/nfs/dbraw/zinc/41/40/80/574414080.db2.gz	BUZOGVVQWCXXDP-LMVFSUKVSA-N	-3	2	523.181	-2.013	1	0	endogenous,in-man	KAAFLL
Nc1nc(=O)c(N)c(NCC(=O)[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[nH]1	ZINC000040164535	574414549	/nfs/dbraw/zinc/41/45/49/574414549.db2.gz	ZJYBJXKSWQPKFW-UJURSFKZSA-N	-3	2	513.186	-3.020	1	0	endogenous,in-man	KAAFLL
Nc1nc(=O)c(N)c(NCC(=O)[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[nH]1	ZINC000040164535	574414548	/nfs/dbraw/zinc/41/45/48/574414548.db2.gz	ZJYBJXKSWQPKFW-UJURSFKZSA-N	-3	2	513.186	-3.020	1	0	endogenous,in-man	KAAFLL
Nc1nc2c([nH]c(=O)n2[C@@H]2C[C@H](O)[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000040165385	574414628	/nfs/dbraw/zinc/41/46/28/574414628.db2.gz	BUZOGVVQWCXXDP-YUPRTTJUSA-N	-3	2	523.181	-2.013	1	0	endogenous,in-man	KAAFLL
Nc1nc2c([nH]c(=O)n2[C@@H]2C[C@H](O)[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000040165385	574414627	/nfs/dbraw/zinc/41/46/27/574414627.db2.gz	BUZOGVVQWCXXDP-YUPRTTJUSA-N	-3	2	523.181	-2.013	1	0	endogenous,in-man	KAAFLL
Nc1nc2c([nH]c(=O)n2[C@H]2C[C@H](O)[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000040165387	574414636	/nfs/dbraw/zinc/41/46/36/574414636.db2.gz	BUZOGVVQWCXXDP-VAYJURFESA-N	-3	2	523.181	-2.013	1	0	endogenous,in-man	KAAFLL
Nc1nc2c([nH]c(=O)n2[C@H]2C[C@H](O)[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000040165387	574414635	/nfs/dbraw/zinc/41/46/35/574414635.db2.gz	BUZOGVVQWCXXDP-VAYJURFESA-N	-3	2	523.181	-2.013	1	0	endogenous,in-man	KAAFLL
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=S)[nH]1	ZINC000040938442	562085454	/nfs/dbraw/zinc/08/54/54/562085454.db2.gz	KHYOUGAATNYCAZ-CCXZUQQUSA-N	-3	2	500.208	-1.132	1	0		KAAFLL
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=S)[nH]1	ZINC000040938442	562085452	/nfs/dbraw/zinc/08/54/52/562085452.db2.gz	KHYOUGAATNYCAZ-CCXZUQQUSA-N	-3	2	500.208	-1.132	1	0		KAAFLL
NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CCOCCOCC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])s1	ZINC000043938634	562651258	/nfs/dbraw/zinc/65/12/58/562651258.db2.gz	KIRCGKZULASNTL-UHFFFAOYSA-N	-2	2	613.628	-3.479	1	0		KAAFLL
Nc1nc(=O)c2c([nH]1)N([C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]1O)CN2	ZINC000044221439	562652635	/nfs/dbraw/zinc/65/26/35/562652635.db2.gz	KITLPLLNIZOYIJ-UUOKFMHZSA-N	-3	2	525.197	-2.669	1	0		KAAFLL
Nc1nc(=O)c2c([nH]1)N([C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]1O)CN2	ZINC000044221439	562652634	/nfs/dbraw/zinc/65/26/34/562652634.db2.gz	KITLPLLNIZOYIJ-UUOKFMHZSA-N	-3	2	525.197	-2.669	1	0		KAAFLL
Nc1nc2c(c(=O)[nH]1)NCN2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000044221439	562652633	/nfs/dbraw/zinc/65/26/33/562652633.db2.gz	KITLPLLNIZOYIJ-UUOKFMHZSA-N	-3	2	525.197	-2.669	1	0		KAAFLL
Nc1nc2c(c(=O)[nH]1)NCN2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000044221439	562652632	/nfs/dbraw/zinc/65/26/32/562652632.db2.gz	KITLPLLNIZOYIJ-UUOKFMHZSA-N	-3	2	525.197	-2.669	1	0		KAAFLL
NS(=O)(=O)c1nnc(NC(=O)CN(CCOCCOCCN(CC(=O)[O-])CC(=O)Nc2nnc(S(N)(=O)=O)s2)CC(=O)[O-])s1	ZINC000049616061	562666771	/nfs/dbraw/zinc/66/67/71/562666771.db2.gz	GBDGTOLMAXSIBD-UHFFFAOYSA-N	-2	2	704.748	-3.932	1	0		KAAFLL
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[P@](=O)([O-])C(F)(F)[P@](=O)([O-])O)[C@@H](O)[C@H]2O)cc1I	ZINC000049678562	562668557	/nfs/dbraw/zinc/66/85/57/562668557.db2.gz	AVZZQPCQWAZPGG-UAKXSSHOSA-N	-2	2	564.065	-1.310	1	0		KAAFLL
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[P@](=O)([O-])C(F)(F)[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)cc1I	ZINC000049678562	562668556	/nfs/dbraw/zinc/66/85/56/562668556.db2.gz	AVZZQPCQWAZPGG-UAKXSSHOSA-N	-2	2	564.065	-1.310	1	0		KAAFLL
N[C@H]1N=CNc2c1[nH+]cn2[C@H]1O[C@H]([C@@H](CSCC[C@@H]([NH3+])C(=O)[O-])O[P@@](=O)([O-])O[P@@](=O)([O-])ONP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000049777461	562680033	/nfs/dbraw/zinc/68/00/33/562680033.db2.gz	UTYAZQPRNJILRR-HAUDEFDVSA-N	-3	2	671.412	-2.526	1	0		KAAFLL
N[C@H]1N=CNc2c1[nH+]cn2[C@@H]1O[C@H]([C@@H](CSCC[C@@H]([NH3+])C(=O)[O-])O[P@@](=O)([O-])O[P@@](=O)([O-])ONP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000049777462	562680023	/nfs/dbraw/zinc/68/00/23/562680023.db2.gz	UTYAZQPRNJILRR-CHKZEKFXSA-N	-3	2	671.412	-2.526	1	0		KAAFLL
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])CP(=O)([O-])O)[C@@H](O[P@](=O)([O-])C[P@](=O)([O-])O)[C@H]2O)c(=O)[nH]1	ZINC000049804044	562686325	/nfs/dbraw/zinc/68/63/25/562686325.db2.gz	IKUGYHZNNUDHFA-IOSLPCCCSA-N	-4	2	599.216	-1.997	1	0		KAAFLL
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])CP(=O)([O-])O)[C@@H](O[P@](=O)([O-])C[P@@](=O)([O-])O)[C@H]2O)c(=O)[nH]1	ZINC000049804044	562686324	/nfs/dbraw/zinc/68/63/24/562686324.db2.gz	IKUGYHZNNUDHFA-IOSLPCCCSA-N	-4	2	599.216	-1.997	1	0		KAAFLL
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])C[P@](=O)([O-])O)[C@@H](O[P@](=O)([O-])CP(=O)([O-])O)[C@H]2O)c(=O)[nH]1	ZINC000049804044	562686323	/nfs/dbraw/zinc/68/63/23/562686323.db2.gz	IKUGYHZNNUDHFA-IOSLPCCCSA-N	-4	2	599.216	-1.997	1	0		KAAFLL
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])C[P@@](=O)([O-])O)[C@@H](O[P@](=O)([O-])CP(=O)([O-])O)[C@H]2O)c(=O)[nH]1	ZINC000049804044	562686322	/nfs/dbraw/zinc/68/63/22/562686322.db2.gz	IKUGYHZNNUDHFA-IOSLPCCCSA-N	-4	2	599.216	-1.997	1	0		KAAFLL
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=S)[nH]1	ZINC000049867467	562689502	/nfs/dbraw/zinc/68/95/02/562689502.db2.gz	ULAQHHDKUXIVNV-XVFCMESISA-N	-4	2	580.187	-1.015	1	0		KAAFLL
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=S)[nH]1	ZINC000049867467	562689501	/nfs/dbraw/zinc/68/95/01/562689501.db2.gz	ULAQHHDKUXIVNV-XVFCMESISA-N	-4	2	580.187	-1.015	1	0		KAAFLL
C[C@@H](O)[C@H](NC(=O)N(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O)C(=O)[O-]	ZINC000058655663	562701366	/nfs/dbraw/zinc/70/13/66/562701366.db2.gz	VIABIDFODSKCDL-KQSSXJRRSA-N	-2	2	506.365	-2.465	1	0	in-vitro	KAAFLL
C[C@@H](O)[C@H](NC(=O)N(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O)C(=O)[O-]	ZINC000058655663	562701365	/nfs/dbraw/zinc/70/13/65/562701365.db2.gz	VIABIDFODSKCDL-KQSSXJRRSA-N	-2	2	506.365	-2.465	1	0	in-vitro	KAAFLL
CC(=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@@H](C)O	ZINC000071295835	562717366	/nfs/dbraw/zinc/71/73/66/562717366.db2.gz	OUZKGDVFUKUREZ-RUZYHRDJSA-N	-2	2	572.508	-1.731	1	0		KAAFLL
CC(=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@@H](C)O	ZINC000071295835	562717365	/nfs/dbraw/zinc/71/73/65/562717365.db2.gz	OUZKGDVFUKUREZ-RUZYHRDJSA-N	-2	2	572.508	-1.731	1	0		KAAFLL
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])C(F)(F)[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000071316198	562717838	/nfs/dbraw/zinc/71/78/38/562717838.db2.gz	GMYHHUUHBVBEKO-XVFCMESISA-N	-3	2	518.148	-1.797	1	0		KAAFLL
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])C(F)(F)[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000071316198	562717837	/nfs/dbraw/zinc/71/78/37/562717837.db2.gz	GMYHHUUHBVBEKO-XVFCMESISA-N	-3	2	518.148	-1.797	1	0		KAAFLL
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CC(P(=O)([O-])O)[P@](=O)([O-])O)C(=O)[O-])C(=O)[O-])cc1	ZINC000082170683	562741497	/nfs/dbraw/zinc/74/14/97/562741497.db2.gz	ANQVCFUFMGJDGU-GJZGRUSLSA-N	-4	2	699.511	-1.175	1	0		KAAFLL
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CC(P(=O)([O-])O)[P@@](=O)([O-])O)C(=O)[O-])C(=O)[O-])cc1	ZINC000082170683	562741496	/nfs/dbraw/zinc/74/14/96/562741496.db2.gz	ANQVCFUFMGJDGU-GJZGRUSLSA-N	-4	2	699.511	-1.175	1	0		KAAFLL
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)N[C@@H](CC(P(=O)([O-])O)[P@](=O)([O-])O)C(=O)[O-])C(=O)[O-])cc1	ZINC000082170684	562741485	/nfs/dbraw/zinc/74/14/85/562741485.db2.gz	ANQVCFUFMGJDGU-CABCVRRESA-N	-4	2	699.511	-1.175	1	0		KAAFLL
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)N[C@@H](CC(P(=O)([O-])O)[P@@](=O)([O-])O)C(=O)[O-])C(=O)[O-])cc1	ZINC000082170684	562741484	/nfs/dbraw/zinc/74/14/84/562741484.db2.gz	ANQVCFUFMGJDGU-CABCVRRESA-N	-4	2	699.511	-1.175	1	0		KAAFLL
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)NC(P(=O)([O-])O)[P@](=O)([O-])O)C(=O)[O-])cc1	ZINC000082181770	562741954	/nfs/dbraw/zinc/74/19/54/562741954.db2.gz	YRKBAUUUKVAKQA-ZDUSSCGKSA-N	-3	2	627.448	-1.061	1	0		KAAFLL
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)NC(P(=O)([O-])O)[P@@](=O)([O-])O)C(=O)[O-])cc1	ZINC000082181770	562741953	/nfs/dbraw/zinc/74/19/53/562741953.db2.gz	YRKBAUUUKVAKQA-ZDUSSCGKSA-N	-3	2	627.448	-1.061	1	0		KAAFLL
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)NC(P(=O)([O-])O)[P@](=O)([O-])O)C(=O)[O-])cc1	ZINC000082181771	562741943	/nfs/dbraw/zinc/74/19/43/562741943.db2.gz	YRKBAUUUKVAKQA-CYBMUJFWSA-N	-3	2	627.448	-1.061	1	0		KAAFLL
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)NC(P(=O)([O-])O)[P@@](=O)([O-])O)C(=O)[O-])cc1	ZINC000082181771	562741942	/nfs/dbraw/zinc/74/19/42/562741942.db2.gz	YRKBAUUUKVAKQA-CYBMUJFWSA-N	-3	2	627.448	-1.061	1	0		KAAFLL
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)NCC(P(=O)([O-])O)[P@](=O)([O-])O)C(=O)[O-])cc1	ZINC000082185121	562742191	/nfs/dbraw/zinc/74/21/91/562742191.db2.gz	LGRZXDSAGPBBPF-AWEZNQCLSA-N	-3	2	641.475	-1.019	1	0		KAAFLL
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)NCC(P(=O)([O-])O)[P@@](=O)([O-])O)C(=O)[O-])cc1	ZINC000082185121	562742190	/nfs/dbraw/zinc/74/21/90/562742190.db2.gz	LGRZXDSAGPBBPF-AWEZNQCLSA-N	-3	2	641.475	-1.019	1	0		KAAFLL
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)NCC(P(=O)([O-])O)[P@](=O)([O-])O)C(=O)[O-])cc1	ZINC000082185124	562742198	/nfs/dbraw/zinc/74/21/98/562742198.db2.gz	LGRZXDSAGPBBPF-CQSZACIVSA-N	-3	2	641.475	-1.019	1	0		KAAFLL
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)NCC(P(=O)([O-])O)[P@@](=O)([O-])O)C(=O)[O-])cc1	ZINC000082185124	562742197	/nfs/dbraw/zinc/74/21/97/562742197.db2.gz	LGRZXDSAGPBBPF-CQSZACIVSA-N	-3	2	641.475	-1.019	1	0		KAAFLL
Nc1nc2ccc(CN(C(=O)CSCC(=O)N[C@H]3O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]3O)c3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000095538179	562754533	/nfs/dbraw/zinc/75/45/33/562754533.db2.gz	OYUXOLDYARBLBK-CGDWNSQISA-N	-3	2	782.678	-1.508	1	0		KAAFLL
Nc1nc2ccc(CN(C(=O)CSCC(=O)N[C@H]3O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]3O)c3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000095538179	562754532	/nfs/dbraw/zinc/75/45/32/562754532.db2.gz	OYUXOLDYARBLBK-CGDWNSQISA-N	-3	2	782.678	-1.508	1	0		KAAFLL
Nc1nc2ccc(CN(C(=O)CSCC(=O)N[C@@H]3O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]3O)c3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000095538180	562754537	/nfs/dbraw/zinc/75/45/37/562754537.db2.gz	OYUXOLDYARBLBK-UHPLIUPMSA-N	-3	2	782.678	-1.508	1	0		KAAFLL
Nc1nc2ccc(CN(C(=O)CSCC(=O)N[C@@H]3O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]3O)c3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000095538180	562754536	/nfs/dbraw/zinc/75/45/36/562754536.db2.gz	OYUXOLDYARBLBK-UHPLIUPMSA-N	-3	2	782.678	-1.508	1	0		KAAFLL
NC(=O)c1ncn([C@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c1C=CC(=O)N(CC1C=CC2=NC(N)=NC(=O)[C@@H]2N1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000095538335	562754693	/nfs/dbraw/zinc/75/46/93/562754693.db2.gz	CSRHKEPQMMBPFZ-PQDGLDRKSA-N	-3	2	817.662	-3.003	1	0		KAAFLL
NC(=O)c1ncn([C@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c1C=CC(=O)N(CC1C=CC2=NC(N)=NC(=O)[C@@H]2N1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000095538335	562754692	/nfs/dbraw/zinc/75/46/92/562754692.db2.gz	CSRHKEPQMMBPFZ-PQDGLDRKSA-N	-3	2	817.662	-3.003	1	0		KAAFLL
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([P@](=O)([O-])O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000095541747	562756327	/nfs/dbraw/zinc/75/63/27/562756327.db2.gz	SKCNEXNJNGTKIO-PSCZMIBCSA-N	-5	2	787.713	-1.799	1	0		KAAFLL
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([P@@](=O)([O-])O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000095541747	562756326	/nfs/dbraw/zinc/75/63/26/562756326.db2.gz	SKCNEXNJNGTKIO-PSCZMIBCSA-N	-5	2	787.713	-1.799	1	0		KAAFLL
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)NC(C)=O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000095543682	562757426	/nfs/dbraw/zinc/75/74/26/562757426.db2.gz	QQEKQSBIEKQXQS-GLVRREGFSA-N	-5	2	803.712	-1.130	1	0		KAAFLL
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)NC(C)=O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000095543682	562757425	/nfs/dbraw/zinc/75/74/25/562757425.db2.gz	QQEKQSBIEKQXQS-GLVRREGFSA-N	-5	2	803.712	-1.130	1	0		KAAFLL
CO[C@@H]1[C@H](O[P@](=O)(NCCCCCC(=O)[O-])OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)[C@@H](CO[P@](=O)([O-])O)O[C@H]1n1cnc2c1nc(N)[nH]c2=O	ZINC000095546928	562758585	/nfs/dbraw/zinc/75/85/85/562758585.db2.gz	LAFSZYJZZYCQBJ-RMDYEYQGSA-N	-2	2	795.593	-2.074	1	0		KAAFLL
CO[C@@H]1[C@H](O[P@](=O)(NCCCCCC(=O)[O-])OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)[C@@H](CO[P@@](=O)([O-])O)O[C@H]1n1cnc2c1nc(N)[nH]c2=O	ZINC000095546928	562758584	/nfs/dbraw/zinc/75/85/84/562758584.db2.gz	LAFSZYJZZYCQBJ-RMDYEYQGSA-N	-2	2	795.593	-2.074	1	0		KAAFLL
CO[C@@H]1[C@H](O[P@](=O)(NCCCCCC(=O)[O-])OC[C@@H]2C[C@@H](O)[C@H](n3ccc(N)nc3=O)O2)[C@@H](CO[P@](=O)([O-])O)O[C@H]1n1cnc2c1nc(N)[nH]c2=O	ZINC000095546948	562758620	/nfs/dbraw/zinc/75/86/20/562758620.db2.gz	YVDNXUIEJRFKAI-LRBYOWJPSA-N	-2	2	779.594	-1.045	1	0		KAAFLL
CO[C@@H]1[C@H](O[P@](=O)(NCCCCCC(=O)[O-])OC[C@@H]2C[C@@H](O)[C@H](n3ccc(N)nc3=O)O2)[C@@H](CO[P@@](=O)([O-])O)O[C@H]1n1cnc2c1nc(N)[nH]c2=O	ZINC000095546948	562758619	/nfs/dbraw/zinc/75/86/19/562758619.db2.gz	YVDNXUIEJRFKAI-LRBYOWJPSA-N	-2	2	779.594	-1.045	1	0		KAAFLL
O=C([O-])[C@H]1O[C@H](O[P@](=O)([O-])O[P@](=O)([O-])O[P@](=O)([O-])O[P@](=O)([O-])OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000095547997	562759065	/nfs/dbraw/zinc/75/90/65/562759065.db2.gz	NLYVASMWOWKGJP-LXQIFKJMSA-N	-5	2	740.243	-4.467	1	0		KAAFLL
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O	ZINC000095548049	562759072	/nfs/dbraw/zinc/75/90/72/562759072.db2.gz	SMSKYAZAKPGTPK-CFRASDGPSA-N	-4	2	767.313	-4.416	1	0		KAAFLL
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])[C@H](C)O	ZINC000095548617	562759322	/nfs/dbraw/zinc/75/93/22/562759322.db2.gz	XNLGUKYKJNBXPB-RIBOIOANSA-N	-2	2	825.917	-1.089	1	0		KAAFLL
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)[O-])[C@H](C)O	ZINC000095548634	562759332	/nfs/dbraw/zinc/75/93/32/562759332.db2.gz	IIACABROFGKJAI-DUULHIFXSA-N	-3	2	835.909	-1.831	1	0		KAAFLL
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])[C@H](C)O	ZINC000095548635	562759321	/nfs/dbraw/zinc/75/93/21/562759321.db2.gz	NUAZJFGOQGZAGO-RIBOIOANSA-N	-2	2	825.917	-1.089	1	0		KAAFLL
CC(C)C[C@H](NC(=O)[C@@H](Cc1cccc(C(F)(F)[P@](=O)([O-])O)c1)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(=O)[O-])C(N)=O	ZINC000095548961	562759625	/nfs/dbraw/zinc/75/96/25/562759625.db2.gz	KMGNPCXQVLTBOP-USUWBSJTSA-N	-3	2	837.724	-2.427	1	0		KAAFLL
CC(C)C[C@H](NC(=O)[C@@H](Cc1cccc(C(F)(F)[P@@](=O)([O-])O)c1)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(=O)[O-])C(N)=O	ZINC000095548961	562759624	/nfs/dbraw/zinc/75/96/24/562759624.db2.gz	KMGNPCXQVLTBOP-USUWBSJTSA-N	-3	2	837.724	-2.427	1	0		KAAFLL
Nc1ccn([C@H]2C[C@H](O[P@@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c4ncnc5N)C[C@@H]3O[P@](=O)([O-])NCCCO)[C@@H](CO[P@](=O)([O-])O)O2)c(=O)n1	ZINC000095548968	562759670	/nfs/dbraw/zinc/75/96/70/562759670.db2.gz	DPYSYOURUPLYTA-LVBQRNIJSA-N	-3	2	757.484	-1.108	1	0		KAAFLL
Nc1ccn([C@H]2C[C@H](O[P@@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c4ncnc5N)C[C@@H]3O[P@](=O)([O-])NCCCO)[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)n1	ZINC000095548968	562759669	/nfs/dbraw/zinc/75/96/69/562759669.db2.gz	DPYSYOURUPLYTA-LVBQRNIJSA-N	-3	2	757.484	-1.108	1	0		KAAFLL
CO[C@@H]1[C@H](O)[C@@H](CO[P@](=O)([O-])C[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]2O[C@@H](n3cnc4c3nc(N)[nH]c4=O)[C@H](O)[C@@H]2O)O[C@H]1[n+]1cn(C)c2c1nc(N)[nH]c2=O	ZINC000095550392	562760149	/nfs/dbraw/zinc/76/01/49/562760149.db2.gz	SZLZERSOXURWPH-NAGRZYTCSA-O	-2	2	815.500	-3.782	1	0		KAAFLL
CC(=O)N(CC(=O)NCCO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]1OS(=O)(=O)[O-])Cc1ccccc1	ZINC000095551624	562760357	/nfs/dbraw/zinc/76/03/57/562760357.db2.gz	WRIOIAXZPGUVIK-IQRFUGTFSA-N	-4	2	732.695	-2.724	1	0		KAAFLL
CC(=O)N(CCc1ccccc1)CC(=O)NCCO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]1OS(=O)(=O)[O-]	ZINC000095551625	562760348	/nfs/dbraw/zinc/76/03/48/562760348.db2.gz	NGLCPBZMFSXJTO-LGKHCZOZSA-N	-4	2	746.722	-2.681	1	0		KAAFLL
Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)CN(CC[N@@H+](CCN(CC(=O)[O-])CC(=O)/N=c1\sc(S(N)(=O)=O)nn1C)CC(=O)[O-])CC(=O)[O-]	ZINC000095564389	562764294	/nfs/dbraw/zinc/76/42/94/562764294.db2.gz	XBLYYDDTTORRLT-QFFDILLMSA-N	-2	2	745.801	-5.714	1	0		KAAFLL
Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)CN(CC[N@H+](CCN(CC(=O)[O-])CC(=O)/N=c1\sc(S(N)(=O)=O)nn1C)CC(=O)[O-])CC(=O)[O-]	ZINC000095564389	562764293	/nfs/dbraw/zinc/76/42/93/562764293.db2.gz	XBLYYDDTTORRLT-QFFDILLMSA-N	-2	2	745.801	-5.714	1	0		KAAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C(=O)N[C@H](C)C(=O)[O-])[C@@H](C)O	ZINC000095605991	562781809	/nfs/dbraw/zinc/78/18/09/562781809.db2.gz	PPBWJQKFDZLYQS-XWFHMPNSSA-N	-2	2	813.799	-2.068	1	0		KAAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C(=O)N[C@H](C)C(=O)[O-])[C@@H](C)O	ZINC000095605991	562781808	/nfs/dbraw/zinc/78/18/08/562781808.db2.gz	PPBWJQKFDZLYQS-XWFHMPNSSA-N	-2	2	813.799	-2.068	1	0		KAAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(N)=O)C(C)C	ZINC000095605995	562781826	/nfs/dbraw/zinc/78/18/26/562781826.db2.gz	WBCJXAXDKSPVKS-OPHJYBJGSA-N	-2	2	814.787	-2.812	1	0		KAAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(N)=O)C(C)C	ZINC000095605995	562781825	/nfs/dbraw/zinc/78/18/25/562781825.db2.gz	WBCJXAXDKSPVKS-OPHJYBJGSA-N	-2	2	814.787	-2.812	1	0		KAAFLL
CC(=O)N[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@H](C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O	ZINC000095606018	562781866	/nfs/dbraw/zinc/78/18/66/562781866.db2.gz	RHSQSBUWCSRWKA-YFGPYGAYSA-N	-2	2	841.853	-1.432	1	0		KAAFLL
CC(=O)N[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@H](C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O	ZINC000095606018	562781865	/nfs/dbraw/zinc/78/18/65/562781865.db2.gz	RHSQSBUWCSRWKA-YFGPYGAYSA-N	-2	2	841.853	-1.432	1	0		KAAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)[O-])C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000095612110	562785278	/nfs/dbraw/zinc/78/52/78/562785278.db2.gz	JGZPZEJGKHXFQJ-KEOOTSPTSA-N	-2	2	822.722	-4.669	1	0		KAAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)[O-])C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000095612110	562785277	/nfs/dbraw/zinc/78/52/77/562785277.db2.gz	JGZPZEJGKHXFQJ-KEOOTSPTSA-N	-2	2	822.722	-4.669	1	0		KAAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)[C@@H](C)O	ZINC000095613207	562786150	/nfs/dbraw/zinc/78/61/50/562786150.db2.gz	JQGYLSVNECRZHW-QQMZDXHTSA-N	-2	2	841.853	-1.432	1	0		KAAFLL
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)[C@@H](C)O	ZINC000095613207	562786149	/nfs/dbraw/zinc/78/61/49/562786149.db2.gz	JQGYLSVNECRZHW-QQMZDXHTSA-N	-2	2	841.853	-1.432	1	0		KAAFLL
NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CCN(CC(=O)[O-])CC(=O)NCCC(=O)Nc2nnc(S(N)(=O)=O)s2)CC(=O)[O-])s1	ZINC000095614423	562786621	/nfs/dbraw/zinc/78/66/21/562786621.db2.gz	JIADIKISVDGGIN-UHFFFAOYSA-N	-2	2	758.800	-4.953	1	0		KAAFLL
CC(=O)N[C@H]1[C@@H](O[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-])[C@@H](O)[C@@H](CO)O[C@H]1O[P@](=O)([O-])O	ZINC000095614473	562786616	/nfs/dbraw/zinc/78/66/16/562786616.db2.gz	TZVSRRNZPKTZIO-HHXIJORGSA-N	-2	2	843.778	-4.986	1	0		KAAFLL
CC(=O)N[C@H]1[C@@H](O[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-])[C@@H](O)[C@@H](CO)O[C@H]1O[P@@](=O)([O-])O	ZINC000095614473	562786615	/nfs/dbraw/zinc/78/66/15/562786615.db2.gz	TZVSRRNZPKTZIO-HHXIJORGSA-N	-2	2	843.778	-4.986	1	0		KAAFLL
CC(=O)N[C@@H]1[C@H](O[P@](=O)([O-])O)O[C@H](CO)[C@H](O)[C@H]1O[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-]	ZINC000095614474	562786639	/nfs/dbraw/zinc/78/66/39/562786639.db2.gz	TZVSRRNZPKTZIO-KCZGRPRPSA-N	-2	2	843.778	-4.986	1	0		KAAFLL
CC(=O)N[C@@H]1[C@H](O[P@@](=O)([O-])O)O[C@H](CO)[C@H](O)[C@H]1O[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-]	ZINC000095614474	562786638	/nfs/dbraw/zinc/78/66/38/562786638.db2.gz	TZVSRRNZPKTZIO-KCZGRPRPSA-N	-2	2	843.778	-4.986	1	0		KAAFLL
CC(C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc2ccc(O[P@](=O)([O-])O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC1=O	ZINC000096307589	562796389	/nfs/dbraw/zinc/79/63/89/562796389.db2.gz	IUNYROASPFJIRI-QUVRYOLLSA-N	-2	2	745.705	-3.247	1	0		KAAFLL
CC(C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc2ccc(O[P@@](=O)([O-])O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC1=O	ZINC000096307589	562796388	/nfs/dbraw/zinc/79/63/88/562796388.db2.gz	IUNYROASPFJIRI-QUVRYOLLSA-N	-2	2	745.705	-3.247	1	0		KAAFLL
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(=O)[O-])C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000096902957	562797763	/nfs/dbraw/zinc/79/77/63/562797763.db2.gz	WSSSIQJLLQJNNM-TUFLPTIASA-N	-3	2	673.613	-1.079	1	0		KAAFLL
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(=O)[O-])C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000096902957	562797762	/nfs/dbraw/zinc/79/77/62/562797762.db2.gz	WSSSIQJLLQJNNM-TUFLPTIASA-N	-3	2	673.613	-1.079	1	0		KAAFLL
Cc1nc(N)[nH]c(=O)c1N(CCNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000096904253	562798220	/nfs/dbraw/zinc/79/82/20/562798220.db2.gz	WJMIBUYERCQKCS-UWHLTILDSA-N	-3	2	752.631	-1.565	1	0		KAAFLL
Cc1nc(N)[nH]c(=O)c1N(CCNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000096904253	562798219	/nfs/dbraw/zinc/79/82/19/562798219.db2.gz	WJMIBUYERCQKCS-UWHLTILDSA-N	-3	2	752.631	-1.565	1	0		KAAFLL
Cc1nc(N)[nH]c(=O)c1N(CCNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000096904254	562798183	/nfs/dbraw/zinc/79/81/83/562798183.db2.gz	WJMIBUYERCQKCS-PLACYPQZSA-N	-3	2	752.631	-1.565	1	0		KAAFLL
Cc1nc(N)[nH]c(=O)c1N(CCNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000096904254	562798182	/nfs/dbraw/zinc/79/81/82/562798182.db2.gz	WJMIBUYERCQKCS-PLACYPQZSA-N	-3	2	752.631	-1.565	1	0		KAAFLL
Nc1nc2c(c(=O)[nH]1)N(Cc1cn([C@H]3C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O3)c(=O)[nH]c1=O)[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000096904255	562798198	/nfs/dbraw/zinc/79/81/98/562798198.db2.gz	SCFXNVIWVSBPLO-GLOJMNGXSA-N	-3	2	764.642	-1.559	1	0		KAAFLL
Nc1nc2c(c(=O)[nH]1)N(Cc1cn([C@H]3C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O3)c(=O)[nH]c1=O)[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000096904255	562798197	/nfs/dbraw/zinc/79/81/97/562798197.db2.gz	SCFXNVIWVSBPLO-GLOJMNGXSA-N	-3	2	764.642	-1.559	1	0		KAAFLL
Nc1nc2c(c(=O)[nH]1)N(Cc1cn([C@H]3C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O3)c(=O)[nH]c1=O)[C@H](CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000096904256	562798206	/nfs/dbraw/zinc/79/82/06/562798206.db2.gz	SCFXNVIWVSBPLO-AOIWZFSPSA-N	-3	2	764.642	-1.559	1	0		KAAFLL
Nc1nc2c(c(=O)[nH]1)N(Cc1cn([C@H]3C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O3)c(=O)[nH]c1=O)[C@H](CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000096904256	562798205	/nfs/dbraw/zinc/79/82/05/562798205.db2.gz	SCFXNVIWVSBPLO-AOIWZFSPSA-N	-3	2	764.642	-1.559	1	0		KAAFLL
Nc1nc2c(c(=O)[nH]1)N(Cc1cn([C@H]3C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O3)c(=O)[nH]c1=O)[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000096904257	562798179	/nfs/dbraw/zinc/79/81/79/562798179.db2.gz	SCFXNVIWVSBPLO-WHCFWRGISA-N	-3	2	764.642	-1.559	1	0		KAAFLL
Nc1nc2c(c(=O)[nH]1)N(Cc1cn([C@H]3C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O3)c(=O)[nH]c1=O)[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000096904257	562798178	/nfs/dbraw/zinc/79/81/78/562798178.db2.gz	SCFXNVIWVSBPLO-WHCFWRGISA-N	-3	2	764.642	-1.559	1	0		KAAFLL
Nc1nc2c(c(=O)[nH]1)N(Cc1cn([C@H]3C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O3)c(=O)[nH]c1=O)[C@@H](CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000096904258	562798233	/nfs/dbraw/zinc/79/82/33/562798233.db2.gz	SCFXNVIWVSBPLO-MIUGBVLSSA-N	-3	2	764.642	-1.559	1	0		KAAFLL
Nc1nc2c(c(=O)[nH]1)N(Cc1cn([C@H]3C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O3)c(=O)[nH]c1=O)[C@@H](CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000096904258	562798232	/nfs/dbraw/zinc/79/82/32/562798232.db2.gz	SCFXNVIWVSBPLO-MIUGBVLSSA-N	-3	2	764.642	-1.559	1	0		KAAFLL
Cc1nc(N)[nH]c(=O)c1N(CCN(C)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000096904259	562798202	/nfs/dbraw/zinc/79/82/02/562798202.db2.gz	PCYXASZNUXLJJV-FNAHDJPLSA-N	-3	2	766.658	-1.541	1	0		KAAFLL
Cc1nc(N)[nH]c(=O)c1N(CCN(C)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000096904259	562798201	/nfs/dbraw/zinc/79/82/01/562798201.db2.gz	PCYXASZNUXLJJV-FNAHDJPLSA-N	-3	2	766.658	-1.541	1	0		KAAFLL
C[C@@H](O[P@](=O)([O-])O)[C@@H]1NC(=O)[C@H](CO)NC(=O)CN(CCc2c[nH]c3ccccc23)C(=O)CSC[C@@H](C(=O)[O-])NC1=O	ZINC000096907158	562799057	/nfs/dbraw/zinc/79/90/57/562799057.db2.gz	UTTIKYMJACHIDM-ILLDPMRGSA-N	-2	2	629.585	-1.685	1	0		KAAFLL
C[C@@H](O[P@@](=O)([O-])O)[C@@H]1NC(=O)[C@H](CO)NC(=O)CN(CCc2c[nH]c3ccccc23)C(=O)CSC[C@@H](C(=O)[O-])NC1=O	ZINC000096907158	562799056	/nfs/dbraw/zinc/79/90/56/562799056.db2.gz	UTTIKYMJACHIDM-ILLDPMRGSA-N	-2	2	629.585	-1.685	1	0		KAAFLL
Nc1ccn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[C@H]3C[C@H](n4cnc5c4ncnc5N)O[C@@H]3CO[P@](=O)([O-])O)O2)c(=O)n1	ZINC000139829353	562832796	/nfs/dbraw/zinc/83/27/96/562832796.db2.gz	WINZRPZYASMZGV-IDMWBNCISA-N	-2	2	620.409	-1.205	1	0		KAAFLL
Nc1ccn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[C@H]3C[C@H](n4cnc5c4ncnc5N)O[C@@H]3CO[P@@](=O)([O-])O)O2)c(=O)n1	ZINC000139829353	562832795	/nfs/dbraw/zinc/83/27/95/562832795.db2.gz	WINZRPZYASMZGV-IDMWBNCISA-N	-2	2	620.409	-1.205	1	0		KAAFLL
Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)CN(CCN(CC(=O)[O-])CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C)CC(=O)[O-]	ZINC000169290308	562851777	/nfs/dbraw/zinc/85/17/77/562851777.db2.gz	ODWSOTDOGQCHBR-IWGRKNQJSA-N	-2	2	644.696	-5.101	1	0		KAAFLL
Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)CN(CCOCCOCCN(CC(=O)[O-])CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C)CC(=O)[O-]	ZINC000169290346	562851780	/nfs/dbraw/zinc/85/17/80/562851780.db2.gz	QQYZSCQKDDRJGS-GJHDBBOXSA-N	-2	2	732.802	-5.067	1	0		KAAFLL
Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)CN(CC[NH+](CCN(CC(=O)[O-])CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C)CC(=O)[O-])CC(=O)[O-]	ZINC000169290369	562851776	/nfs/dbraw/zinc/85/17/76/562851776.db2.gz	XBLYYDDTTORRLT-GJHDBBOXSA-N	-2	2	745.801	-5.714	1	0		KAAFLL
CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cn1)C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000169301990	562853000	/nfs/dbraw/zinc/85/30/00/562853000.db2.gz	GYOUIZXGGSFELX-XVNXDBTMSA-N	-4	2	846.741	-3.610	1	0		KAAFLL
CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cn1)C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000169301990	562852999	/nfs/dbraw/zinc/85/29/99/562852999.db2.gz	GYOUIZXGGSFELX-XVNXDBTMSA-N	-4	2	846.741	-3.610	1	0		KAAFLL
CO[C@@H]1[C@H](O[P@@](=O)(NCCCCCC(=O)[O-])OC[C@@H]2C[C@@H](O)[C@H](n3ccc(N)nc3=O)O2)[C@@H](CO[P@](=O)([O-])O)O[C@H]1n1cnc2c1nc(N)[nH]c2=O	ZINC000169312925	562855508	/nfs/dbraw/zinc/85/55/08/562855508.db2.gz	YVDNXUIEJRFKAI-WMHFKNJWSA-N	-2	2	779.594	-1.045	1	0		KAAFLL
CO[C@@H]1[C@H](O[P@@](=O)(NCCCCCC(=O)[O-])OC[C@@H]2C[C@@H](O)[C@H](n3ccc(N)nc3=O)O2)[C@@H](CO[P@@](=O)([O-])O)O[C@H]1n1cnc2c1nc(N)[nH]c2=O	ZINC000169312925	562855507	/nfs/dbraw/zinc/85/55/07/562855507.db2.gz	YVDNXUIEJRFKAI-WMHFKNJWSA-N	-2	2	779.594	-1.045	1	0		KAAFLL
CO[C@@H]1[C@H](O[P@@](=O)(NCCCCCC(=O)[O-])OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)[C@@H](CO[P@](=O)([O-])O)O[C@H]1n1cnc2c1nc(N)[nH]c2=O	ZINC000169313234	562855636	/nfs/dbraw/zinc/85/56/36/562855636.db2.gz	LAFSZYJZZYCQBJ-BVFRUFETSA-N	-2	2	795.593	-2.074	1	0		KAAFLL
CO[C@@H]1[C@H](O[P@@](=O)(NCCCCCC(=O)[O-])OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)[C@@H](CO[P@@](=O)([O-])O)O[C@H]1n1cnc2c1nc(N)[nH]c2=O	ZINC000169313234	562855635	/nfs/dbraw/zinc/85/56/35/562855635.db2.gz	LAFSZYJZZYCQBJ-BVFRUFETSA-N	-2	2	795.593	-2.074	1	0		KAAFLL
CN1CN([C@@H]2O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c2[nH]c(N)nc(=O)c21	ZINC000169361750	562864228	/nfs/dbraw/zinc/86/42/28/562864228.db2.gz	BUJQMJUTTBGELS-SXVXDFOESA-N	-3	2	539.224	-2.232	1	0		KAAFLL
CN1CN([C@@H]2O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c2[nH]c(N)nc(=O)c21	ZINC000169361750	562864227	/nfs/dbraw/zinc/86/42/27/562864227.db2.gz	BUJQMJUTTBGELS-SXVXDFOESA-N	-3	2	539.224	-2.232	1	0		KAAFLL
CN1CN([C@@H]2O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c2nc(N)[nH]c(=O)c21	ZINC000169361750	562864226	/nfs/dbraw/zinc/86/42/26/562864226.db2.gz	BUJQMJUTTBGELS-SXVXDFOESA-N	-3	2	539.224	-2.232	1	0		KAAFLL
CN1CN([C@@H]2O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c2nc(N)[nH]c(=O)c21	ZINC000169361750	562864225	/nfs/dbraw/zinc/86/42/25/562864225.db2.gz	BUJQMJUTTBGELS-SXVXDFOESA-N	-5	2	539.224	-2.232	1	0		KAAFLL
CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000169366518	562864505	/nfs/dbraw/zinc/86/45/05/562864505.db2.gz	DUEHLNHREYUFRG-HHGQUTBBSA-N	-4	2	845.753	-3.005	1	0		KAAFLL
CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000169366518	562864504	/nfs/dbraw/zinc/86/45/04/562864504.db2.gz	DUEHLNHREYUFRG-HHGQUTBBSA-N	-4	2	845.753	-3.005	1	0		KAAFLL
NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CC[NH+](CCN(CC(=O)[O-])CC(=O)NCCC(=O)Nc2nnc(S(N)(=O)=O)s2)CC(=O)[O-])CC(=O)[O-])s1	ZINC000169716805	562871290	/nfs/dbraw/zinc/87/12/90/562871290.db2.gz	NJIYCMKWBWEALF-UHFFFAOYSA-N	-2	2	859.905	-5.566	1	0		KAAFLL
Nc1nc2c(c(=O)[nH]1)N[C@@H]1C(=S)C(S)[C@@H](CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]3O[C@H](n4cnc5c4ncnc5N)[C@H](O)[C@@H]3O)O[C@H]1N2	ZINC000197342543	574419684	/nfs/dbraw/zinc/41/96/84/574419684.db2.gz	XJXFAXLUOKQPAQ-ZGBDBOOMSA-N	-2	2	724.568	-1.354	1	0	endogenous,in-vitro	KAAFLL
Nc1nc2c(c(=O)[nH]1)N[C@H]1C(=S)C(S)[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]3O[C@H](n4cnc5c4ncnc5N)[C@@H](O)[C@@H]3O)O[C@@H]1N2	ZINC000230034563	574049093	/nfs/dbraw/zinc/04/90/93/574049093.db2.gz	XJXFAXLUOKQPAQ-VAKFNFQOSA-N	-4	2	724.568	-1.354	1	0	endogenous,in-vitro	KAAFLL
Nc1nc2c(c(=O)[nH]1)N[C@@H]1C(=S)C(S)[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]3O[C@H](n4cnc5c4ncnc5N)[C@@H](O)[C@@H]3O)O[C@@H]1N2	ZINC000230034567	574049103	/nfs/dbraw/zinc/04/91/03/574049103.db2.gz	XJXFAXLUOKQPAQ-JOFBBNSNSA-N	-4	2	724.568	-1.354	1	0	endogenous,in-vitro	KAAFLL
Nc1nc2c(c(=O)[nH]1)N[C@H]1C(=S)C(S)[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]3O[C@H](n4cnc5c4ncnc5N)[C@@H](O)[C@@H]3O)O[C@H]1N2	ZINC000230034576	574420224	/nfs/dbraw/zinc/42/02/24/574420224.db2.gz	XJXFAXLUOKQPAQ-SEHNVXCGSA-N	-2	2	724.568	-1.354	1	0	endogenous,in-vitro	KAAFLL
Nc1nc2c(c(=O)[nH]1)N[C@@H]1C(=S)C(S)[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]3O[C@H](n4cnc5c4ncnc5N)[C@@H](O)[C@@H]3O)O[C@H]1N2	ZINC000230034581	574420221	/nfs/dbraw/zinc/42/02/21/574420221.db2.gz	XJXFAXLUOKQPAQ-KBBFMFAASA-N	-2	2	724.568	-1.354	1	0	endogenous,in-vitro	KAAFLL
NC1=NC(=O)[C@@H]2C(=N1)CC[C@H](CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)N2Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000299868237	562895037	/nfs/dbraw/zinc/89/50/37/562895037.db2.gz	ZKBOWBMIDXICLI-CFVQUGMCSA-N	-3	2	764.642	-1.505	1	0		KAAFLL
NC1=NC(=O)[C@@H]2C(=N1)CC[C@H](CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)N2Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000299868237	562895036	/nfs/dbraw/zinc/89/50/36/562895036.db2.gz	ZKBOWBMIDXICLI-CFVQUGMCSA-N	-3	2	764.642	-1.505	1	0		KAAFLL
NC1=NC(=O)[C@@H]2C(=N1)CC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)N2Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000299868240	562895033	/nfs/dbraw/zinc/89/50/33/562895033.db2.gz	ZKBOWBMIDXICLI-VZSOFXJDSA-N	-3	2	764.642	-1.505	1	0		KAAFLL
NC1=NC(=O)[C@@H]2C(=N1)CC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)N2Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000299868240	562895032	/nfs/dbraw/zinc/89/50/32/562895032.db2.gz	ZKBOWBMIDXICLI-VZSOFXJDSA-N	-3	2	764.642	-1.505	1	0		KAAFLL
Nc1nc2c(c(=O)[nH]1)N(Cc1cn([C@H]3C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O3)c(=O)[nH]c1=O)[C@@H](CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000377853406	562896490	/nfs/dbraw/zinc/89/64/90/562896490.db2.gz	ZKBOWBMIDXICLI-UINIGASKSA-N	-3	2	764.642	-1.295	1	0		KAAFLL
Nc1nc2c(c(=O)[nH]1)N(Cc1cn([C@H]3C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O3)c(=O)[nH]c1=O)[C@@H](CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000377853406	562896489	/nfs/dbraw/zinc/89/64/89/562896489.db2.gz	ZKBOWBMIDXICLI-UINIGASKSA-N	-3	2	764.642	-1.295	1	0		KAAFLL
Nc1nc2c(c(=O)[nH]1)N(Cc1cn([C@H]3C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O3)c(=O)[nH]c1=O)[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000377853407	562896503	/nfs/dbraw/zinc/89/65/03/562896503.db2.gz	ZKBOWBMIDXICLI-ZASDJGFCSA-N	-3	2	764.642	-1.295	1	0		KAAFLL
Nc1nc2c(c(=O)[nH]1)N(Cc1cn([C@H]3C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O3)c(=O)[nH]c1=O)[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000377853407	562896502	/nfs/dbraw/zinc/89/65/02/562896502.db2.gz	ZKBOWBMIDXICLI-ZASDJGFCSA-N	-3	2	764.642	-1.295	1	0		KAAFLL
Cn1c[n+]([C@@H]2O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])C[P@](=O)([O-])O[P@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c4[nH]c(N)nc5=O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21	ZINC000474605934	562905339	/nfs/dbraw/zinc/90/53/39/562905339.db2.gz	GTETZIGLAJHCNN-XPWFQUROSA-O	-3	2	881.452	-3.834	1	0		KAAFLL