smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001376913001	921746430	/nfs/dbraw/zinc/74/64/30/921746430.db2.gz	UDVWYKSSTOVOCJ-QWRGUYRKSA-N	2	0	311.386	-1.286	20	0		DAADRP
CC[C@H](C(=O)N(C)CC[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C	ZINC001266741120	916181066	/nfs/dbraw/zinc/18/10/66/916181066.db2.gz	KNIXZFVUTAAVNK-LLVKDONJSA-N	2	0	313.402	-1.074	20	0		DAADRP
C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)CC[NH+](C)C	ZINC001316845406	916233965	/nfs/dbraw/zinc/23/39/65/916233965.db2.gz	HVUWDYBZWGAKEN-SNVBAGLBSA-N	2	0	301.391	-1.040	20	0		DAADRP
CC[C@@H](C(=O)NCC[N@H+](C)CCN1C(=O)CNC1=O)[NH+](C)C	ZINC001317466738	916300519	/nfs/dbraw/zinc/30/05/19/916300519.db2.gz	DNDJMJMHNWYTTJ-NSHDSACASA-N	2	0	313.402	-1.074	20	0		DAADRP
CC1CC[NH+](CC(=O)N(C)CC[NH2+]CC(=O)NC(N)=O)CC1	ZINC001317644055	916339440	/nfs/dbraw/zinc/33/94/40/916339440.db2.gz	NICQZDICQMMULT-UHFFFAOYSA-N	2	0	313.402	-1.039	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCn1cncn1	ZINC001320266151	916490180	/nfs/dbraw/zinc/49/01/80/916490180.db2.gz	ZUBOGKZHTWGPDL-OLZOCXBDSA-N	2	0	310.402	-1.171	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O	ZINC001320271653	916492215	/nfs/dbraw/zinc/49/22/15/916492215.db2.gz	UATLTZLXSHFWGX-NXEZZACHSA-N	2	0	300.359	-2.190	20	0		DAADRP
CC[C@@H](C(=O)N(CC)CC[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001320902356	916533379	/nfs/dbraw/zinc/53/33/79/916533379.db2.gz	VBOGJHFJSWJSTG-JTQLQIEISA-N	2	0	301.391	-1.040	20	0		DAADRP
C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O	ZINC001321122822	916548212	/nfs/dbraw/zinc/54/82/12/916548212.db2.gz	ZXSKUGSORUJGOO-DLRQAJBASA-N	2	0	311.386	-1.072	20	0		DAADRP
C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O	ZINC001321122823	916549563	/nfs/dbraw/zinc/54/95/63/916549563.db2.gz	ZXSKUGSORUJGOO-PGLGOXFNSA-N	2	0	311.386	-1.072	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O)C1	ZINC001321249147	916560327	/nfs/dbraw/zinc/56/03/27/916560327.db2.gz	IZCCMVPMTZSFAP-QUCGXOGASA-N	2	0	311.386	-1.215	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C	ZINC001322442081	916637339	/nfs/dbraw/zinc/63/73/39/916637339.db2.gz	IKSVGMKYEONHAS-NSHDSACASA-N	2	0	313.402	-1.026	20	0		DAADRP
O=C(C[NH+]1CCCC1)NCC1([NH2+]CCN2C(=O)CNC2=O)CC1	ZINC001323613464	916735833	/nfs/dbraw/zinc/73/58/33/916735833.db2.gz	IKRAVYDBWBOOOX-UHFFFAOYSA-N	2	0	323.397	-1.128	20	0		DAADRP
CO[C@@H](C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CN(C)CCO1	ZINC001325997534	916881163	/nfs/dbraw/zinc/88/11/63/916881163.db2.gz	RUMVLMRRPKQPEA-STQMWFEESA-N	2	0	303.403	-1.238	20	0		DAADRP
C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H](CO)CN2CCOCC2)CC1	ZINC001326236307	916908707	/nfs/dbraw/zinc/90/87/07/916908707.db2.gz	HDOCJYMPYCANMJ-HUUCEWRRSA-N	2	0	316.446	-2.123	20	0		DAADRP
C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)[C@H]1CN(C)CCO1	ZINC001326600435	916933432	/nfs/dbraw/zinc/93/34/32/916933432.db2.gz	WWZLLKZVUBOQOV-RRFJBIMHSA-N	2	0	300.447	-1.097	20	0		DAADRP
CN1CCO[C@H](C(=O)NCC2([NH2+]CCOCCO)CCC2)C1	ZINC001326801924	916958097	/nfs/dbraw/zinc/95/80/97/916958097.db2.gz	LSAXOSDYZOTOHQ-ZDUSSCGKSA-N	2	0	315.414	-1.046	20	0		DAADRP
O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC001326845633	916961986	/nfs/dbraw/zinc/96/19/86/916961986.db2.gz	JNJALCLKJBBHBQ-FRRDWIJNSA-N	2	0	310.398	-1.620	20	0		DAADRP
C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[C@@H]1[NH3+]	ZINC001326877972	916964168	/nfs/dbraw/zinc/96/41/68/916964168.db2.gz	XTRGWCUIMDVVMO-RVMXOQNASA-N	2	0	310.398	-1.541	20	0		DAADRP
C[NH+]1CCC(OCC(=O)N2CCO[C@H](C[NH2+]CCO)C2)CC1	ZINC001327047911	916986623	/nfs/dbraw/zinc/98/66/23/916986623.db2.gz	GVNRXYYKNVQLCE-CQSZACIVSA-N	2	0	315.414	-1.094	20	0		DAADRP
C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](CCOC)CC1	ZINC001327500099	917019860	/nfs/dbraw/zinc/01/98/60/917019860.db2.gz	LPLPDDFBWCQGCI-LLVKDONJSA-N	2	0	300.403	-1.063	20	0		DAADRP
C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC001327708557	917037024	/nfs/dbraw/zinc/03/70/24/917037024.db2.gz	YSOXHUJVEAGNCV-QNWHQSFQSA-N	2	0	310.398	-1.541	20	0		DAADRP
C[NH+]1CCN(C[C@@H](O)C[NH2+]CCC(=O)N2CCOCC2)CC1	ZINC001327974809	917055393	/nfs/dbraw/zinc/05/53/93/917055393.db2.gz	DNKSTIGLLPMDFH-AWEZNQCLSA-N	2	0	314.430	-1.567	20	0		DAADRP
C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1	ZINC001328352847	917079095	/nfs/dbraw/zinc/07/90/95/917079095.db2.gz	GVWHCJQXJPJTPC-VIFPVBQESA-N	2	0	324.385	-1.287	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C	ZINC001328976089	917128183	/nfs/dbraw/zinc/12/81/83/917128183.db2.gz	XOKWCCJNZPNSME-LBPRGKRZSA-N	2	0	315.418	-2.299	20	0		DAADRP
C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC001329001922	917130491	/nfs/dbraw/zinc/13/04/91/917130491.db2.gz	DMYSNJXSOBQBPW-FRRDWIJNSA-N	2	0	312.414	-1.110	20	0		DAADRP
C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC001329001920	917131049	/nfs/dbraw/zinc/13/10/49/917131049.db2.gz	DMYSNJXSOBQBPW-AGIUHOORSA-N	2	0	312.414	-1.110	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C	ZINC001329437771	917167920	/nfs/dbraw/zinc/16/79/20/917167920.db2.gz	MMZKCXUWKNGUGQ-LBPRGKRZSA-N	2	0	315.418	-2.218	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCC1(C[NH3+])CC1	ZINC001329726920	917193675	/nfs/dbraw/zinc/19/36/75/917193675.db2.gz	YQIIQXPPOVIDTF-LBPRGKRZSA-N	2	0	311.430	-1.406	20	0		DAADRP
NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cn(CC[NH3+])nn2)C1	ZINC001329925871	917212802	/nfs/dbraw/zinc/21/28/02/917212802.db2.gz	OXVRBDUXXOKQTM-LLVKDONJSA-N	2	0	323.401	-1.446	20	0		DAADRP
O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC2(CC[NH2+]2)CC1	ZINC001329973787	917218044	/nfs/dbraw/zinc/21/80/44/917218044.db2.gz	PPZTWFBRXFNLLJ-QWHCGFSZSA-N	2	0	322.409	-1.382	20	0		DAADRP
O=C(N[C@@H]1CC[NH2+]C1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC001330039902	917222939	/nfs/dbraw/zinc/22/29/39/917222939.db2.gz	KULOCVKERQZXTP-OLZOCXBDSA-N	2	0	310.398	-1.166	20	0		DAADRP
O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC001330025116	917224172	/nfs/dbraw/zinc/22/41/72/917224172.db2.gz	WUNMOJNOOFUPIK-VXGBXAGGSA-N	2	0	310.398	-1.309	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1	ZINC001330051866	917226122	/nfs/dbraw/zinc/22/61/22/917226122.db2.gz	HVMYKMNUEUUVAH-LBPRGKRZSA-N	2	0	300.403	-1.251	20	0		DAADRP
[NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1	ZINC001331168201	917282120	/nfs/dbraw/zinc/28/21/20/917282120.db2.gz	QIGJNHHILZPIJQ-QNWHQSFQSA-N	2	0	310.398	-1.181	20	0		DAADRP
C[C@H]([NH3+])CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC001331320912	917291233	/nfs/dbraw/zinc/29/12/33/917291233.db2.gz	ZSAWCFUCDMHVMF-LBPRGKRZSA-N	3	0	301.435	-1.208	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001331573123	917301609	/nfs/dbraw/zinc/30/16/09/917301609.db2.gz	NVUBGUZLKGGYFI-RYUDHWBXSA-N	2	0	300.403	-1.063	20	0		DAADRP
[NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1	ZINC001332412133	917368336	/nfs/dbraw/zinc/36/83/36/917368336.db2.gz	MUQMYRZSIFXRKI-XJKSGUPXSA-N	2	0	324.425	-1.005	20	0		DAADRP
[NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1	ZINC001332412127	917369808	/nfs/dbraw/zinc/36/98/08/917369808.db2.gz	MUQMYRZSIFXRKI-BBRMVZONSA-N	2	0	324.425	-1.005	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001332603164	917391033	/nfs/dbraw/zinc/39/10/33/917391033.db2.gz	VFUWMBHNOCWXCM-VXGBXAGGSA-N	2	0	321.443	-1.608	20	0		DAADRP
C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1	ZINC001332893331	917416865	/nfs/dbraw/zinc/41/68/65/917416865.db2.gz	LQHUUUIBAVGGSD-WFASDCNBSA-N	2	0	312.414	-1.291	20	0		DAADRP
C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1	ZINC001332893325	917417439	/nfs/dbraw/zinc/41/74/39/917417439.db2.gz	LQHUUUIBAVGGSD-DOMZBBRYSA-N	2	0	312.414	-1.291	20	0		DAADRP
C[C@H]([NH3+])CCNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1	ZINC001333178863	917428343	/nfs/dbraw/zinc/42/83/43/917428343.db2.gz	PCAHPRNNDXFAPL-ZDUSSCGKSA-N	2	0	313.446	-1.016	20	0		DAADRP
CCN(C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@@H]1CC[NH2+]C1	ZINC001333376966	917439014	/nfs/dbraw/zinc/43/90/14/917439014.db2.gz	FFIOKPLCALTTGC-OLZOCXBDSA-N	2	0	311.430	-1.441	20	0		DAADRP
CN1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)CC1	ZINC001333429582	917441861	/nfs/dbraw/zinc/44/18/61/917441861.db2.gz	BQGNBTZOESHAQC-CYBMUJFWSA-N	2	0	323.441	-1.297	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2	ZINC001333532675	917447750	/nfs/dbraw/zinc/44/77/50/917447750.db2.gz	SMTJSWBPGUBKSC-MQYJIDSJSA-N	2	0	309.414	-1.783	20	0		DAADRP
COCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1	ZINC001333912824	917465781	/nfs/dbraw/zinc/46/57/81/917465781.db2.gz	YMZMQEZRXZEOSI-STQMWFEESA-N	2	0	310.398	-1.214	20	0		DAADRP
COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1	ZINC001334787855	917507474	/nfs/dbraw/zinc/50/74/74/917507474.db2.gz	KUEKMUREUYZXTE-OLZOCXBDSA-N	2	0	312.414	-1.157	20	0		DAADRP
COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1	ZINC001334787854	917508767	/nfs/dbraw/zinc/50/87/67/917508767.db2.gz	KUEKMUREUYZXTE-CHWSQXEVSA-N	2	0	312.414	-1.157	20	0		DAADRP
O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO	ZINC001335205562	917529821	/nfs/dbraw/zinc/52/98/21/917529821.db2.gz	VFPOQJIIVOSJQQ-CHWSQXEVSA-N	2	0	310.398	-1.620	20	0		DAADRP
C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1	ZINC001335246721	917535696	/nfs/dbraw/zinc/53/56/96/917535696.db2.gz	HHGFWCBFCHZXEM-UHFFFAOYSA-N	2	0	312.414	-1.101	20	0		DAADRP
[NH3+][C@]1(CO)CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1	ZINC001335769808	917562109	/nfs/dbraw/zinc/56/21/09/917562109.db2.gz	WMRYMBWDGBETJL-BLLLJJGKSA-N	2	0	324.425	-1.101	20	0		DAADRP
C[NH+]1CCN(C[C@@H](O)C[NH2+]CCN2CCCS2(=O)=O)CC1	ZINC001335951477	917565929	/nfs/dbraw/zinc/56/59/29/917565929.db2.gz	ORBAWMMKGKZSBQ-ZDUSSCGKSA-N	2	0	320.459	-1.780	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2	ZINC001336557446	917592259	/nfs/dbraw/zinc/59/22/59/917592259.db2.gz	RCFJOLZFWYEWIC-MROQNXINSA-N	2	0	309.414	-1.643	20	0		DAADRP
CN1CC[NH+](C2CCN(C(=O)C(=O)NCC3([NH3+])CC3)CC2)CC1	ZINC001336678118	917603682	/nfs/dbraw/zinc/60/36/82/917603682.db2.gz	XKGHPDLAJDFBIA-UHFFFAOYSA-N	2	0	323.441	-1.168	20	0		DAADRP
[NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1	ZINC001338321955	917678447	/nfs/dbraw/zinc/67/84/47/917678447.db2.gz	MFKNYGFKCVVBDJ-AAVRWANBSA-N	2	0	324.425	-1.103	20	0		DAADRP
C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O	ZINC001340833484	917743907	/nfs/dbraw/zinc/74/39/07/917743907.db2.gz	PBMQJHQFDZLATG-LBPRGKRZSA-N	2	0	300.403	-1.122	20	0		DAADRP
C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1	ZINC001340926941	917746650	/nfs/dbraw/zinc/74/66/50/917746650.db2.gz	ATQGSGUKLSKQAB-QLFBSQMISA-N	2	0	307.442	-1.119	20	0		DAADRP
COCCOCCN1CCN(C(=O)[C@H]2C[NH2+]CCN2C)CC1	ZINC001341321164	917754918	/nfs/dbraw/zinc/75/49/18/917754918.db2.gz	STEQZVZRYWFVFE-CQSZACIVSA-N	2	0	314.430	-1.303	20	0		DAADRP
COC[C@]1(C(=O)N2CCN(C)CC[N@H+](C)CC2)C[NH2+]CCO1	ZINC001341395556	917757813	/nfs/dbraw/zinc/75/78/13/917757813.db2.gz	UPPLVRSEKVUWQN-HNNXBMFYSA-N	2	0	314.430	-1.303	20	0		DAADRP
[NH3+]CCNCC(=O)NCCCN1CCN(c2ncccn2)CC1	ZINC001341627278	917760745	/nfs/dbraw/zinc/76/07/45/917760745.db2.gz	OYMTYCYFRZHYQX-UHFFFAOYSA-N	2	0	321.429	-1.347	20	0		DAADRP
[NH3+]CCN1CCC[C@@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O	ZINC001341788096	917767682	/nfs/dbraw/zinc/76/76/82/917767682.db2.gz	OSASAMOPQWDRGG-ZIAGYGMSSA-N	2	0	323.441	-1.310	20	0		DAADRP
CN1CC[NH2+]C[C@@H]1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC001343487778	917810463	/nfs/dbraw/zinc/81/04/63/917810463.db2.gz	SLDHZOSYRZLPCV-GHMZBOCLSA-N	2	0	323.363	-1.158	20	0		DAADRP
COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1	ZINC001345181765	917839300	/nfs/dbraw/zinc/83/93/00/917839300.db2.gz	DIEUBZHDAPVGMK-RWMBFGLXSA-N	2	0	310.398	-1.404	20	0		DAADRP
CN(C)S(=O)(=O)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1	ZINC001345619693	917850301	/nfs/dbraw/zinc/85/03/01/917850301.db2.gz	UORKBOBBUDGNDO-GFCCVEGCSA-N	2	0	308.448	-1.924	20	0		DAADRP
[NH3+]CCCCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC001345957974	917864783	/nfs/dbraw/zinc/86/47/83/917864783.db2.gz	FYQIMKTUIUGKCO-CHWSQXEVSA-N	2	0	312.414	-1.101	20	0		DAADRP
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1	ZINC001345983259	917866626	/nfs/dbraw/zinc/86/66/26/917866626.db2.gz	UAMGEVOFGMNJCW-BETUJISGSA-N	2	0	311.430	-1.536	20	0		DAADRP
C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C[NH+]1CCN(C)CC1	ZINC001347074617	917908812	/nfs/dbraw/zinc/90/88/12/917908812.db2.gz	BMTBMWHDULNINT-OLZOCXBDSA-N	2	0	311.430	-1.536	20	0		DAADRP
C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O	ZINC001347342676	917917364	/nfs/dbraw/zinc/91/73/64/917917364.db2.gz	LXIDWZPHYPNLMN-MELADBBJSA-N	2	0	323.441	-1.169	20	0		DAADRP
C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O	ZINC001347342675	917917946	/nfs/dbraw/zinc/91/79/46/917917946.db2.gz	LXIDWZPHYPNLMN-IHRRRGAJSA-N	2	0	323.441	-1.169	20	0		DAADRP
C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1	ZINC001348319226	917934910	/nfs/dbraw/zinc/93/49/10/917934910.db2.gz	DNPURUYMBQLUSL-LBPRGKRZSA-N	2	0	313.446	-1.066	20	0		DAADRP
C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC001349863339	918040725	/nfs/dbraw/zinc/04/07/25/918040725.db2.gz	GBRNBSVWGRKLEP-FRRDWIJNSA-N	2	0	310.398	-1.668	20	0		DAADRP
[NH3+]C1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1	ZINC001352797687	918129065	/nfs/dbraw/zinc/12/90/65/918129065.db2.gz	LCYSQSNHVRSVPX-ZIAGYGMSSA-N	2	0	324.425	-1.006	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)C[NH+](C)C	ZINC001353174320	918146618	/nfs/dbraw/zinc/14/66/18/918146618.db2.gz	IMYUKLYQQIHIRM-IJLUTSLNSA-N	2	0	300.403	-1.077	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2	ZINC001353750137	918160291	/nfs/dbraw/zinc/16/02/91/918160291.db2.gz	YLGWDQUFPLNCES-AAEUAGOBSA-N	2	0	319.427	-1.685	20	0		DAADRP
COCCOCC[N@H+](C)CCC(=O)N1CCNCC[NH2+]CC1	ZINC001355016783	918196425	/nfs/dbraw/zinc/19/64/25/918196425.db2.gz	VETLNGKMDVDSAK-UHFFFAOYSA-N	2	0	316.446	-1.007	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCN1CCC([NH3+])CC1	ZINC001356629853	918231131	/nfs/dbraw/zinc/23/11/31/918231131.db2.gz	SRCHHTXNFYTQLD-CQSZACIVSA-N	2	0	312.462	-1.046	20	0		DAADRP
CN1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC[N@H+](C)CC1	ZINC001358444244	918322403	/nfs/dbraw/zinc/32/24/03/918322403.db2.gz	JVCRECONMAZTDI-CYBMUJFWSA-N	2	0	323.441	-1.488	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C1CC1	ZINC001366025817	919269484	/nfs/dbraw/zinc/26/94/84/919269484.db2.gz	HHCYJMXNHXAHAS-WDEREUQCSA-N	2	0	311.386	-1.240	20	0		DAADRP
C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O	ZINC001366129912	919285650	/nfs/dbraw/zinc/28/56/50/919285650.db2.gz	ZHEFVWICAZJXID-XWLWVQCSSA-N	2	0	311.386	-1.099	20	0		DAADRP
C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O	ZINC001366144556	919286277	/nfs/dbraw/zinc/28/62/77/919286277.db2.gz	ZHEFVWICAZJXID-MMWGEVLESA-N	2	0	311.386	-1.099	20	0		DAADRP
C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1)C(=O)NC(N)=O	ZINC001366130275	919286669	/nfs/dbraw/zinc/28/66/69/919286669.db2.gz	MGUWJFNIALJXSE-DCAQKATOSA-N	2	0	311.386	-1.098	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001366338938	919314763	/nfs/dbraw/zinc/31/47/63/919314763.db2.gz	BZDGEORLTAADNR-GHMZBOCLSA-N	2	0	313.402	-1.122	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1	ZINC001366378706	919319274	/nfs/dbraw/zinc/31/92/74/919319274.db2.gz	HGZSJCNTIVXZHK-RYUDHWBXSA-N	2	0	323.397	-1.286	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1	ZINC001366714911	919371723	/nfs/dbraw/zinc/37/17/23/919371723.db2.gz	XUCKIWDDQSYDRZ-NSHDSACASA-N	2	0	313.402	-1.039	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C	ZINC001366765117	919379835	/nfs/dbraw/zinc/37/98/35/919379835.db2.gz	RXZOFUMQVGYLFX-QWRGUYRKSA-N	2	0	313.402	-1.027	20	0		DAADRP
CCn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001367583437	919493892	/nfs/dbraw/zinc/49/38/92/919493892.db2.gz	QILGTXLEMAPEDA-CHWSQXEVSA-N	2	0	310.402	-1.041	20	0		DAADRP
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O	ZINC001367593211	919505470	/nfs/dbraw/zinc/50/54/70/919505470.db2.gz	JNJYCJCHYZPDOZ-NXEZZACHSA-N	2	0	315.374	-2.268	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O	ZINC001367593215	919505743	/nfs/dbraw/zinc/50/57/43/919505743.db2.gz	JNJYCJCHYZPDOZ-UWVGGRQHSA-N	2	0	315.374	-2.268	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CC1	ZINC001367594840	919510085	/nfs/dbraw/zinc/51/00/85/919510085.db2.gz	SMKUZAQNIQYHKJ-STQMWFEESA-N	2	0	312.414	-1.184	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001367601263	919516984	/nfs/dbraw/zinc/51/69/84/919516984.db2.gz	BARYPXDJXGETNA-NEPJUHHUSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[NH+](C)CC1(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O)CC1	ZINC001367603415	919517968	/nfs/dbraw/zinc/51/79/68/919517968.db2.gz	RCNMTVKLRFQSGF-VIFPVBQESA-N	2	0	315.374	-2.410	20	0		DAADRP
C[C@H]([NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C	ZINC001367621356	919534680	/nfs/dbraw/zinc/53/46/80/919534680.db2.gz	KNRWUUBUQYRJND-RYUDHWBXSA-N	2	0	312.414	-1.374	20	0		DAADRP
C[C@@H]([NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C	ZINC001367621341	919535746	/nfs/dbraw/zinc/53/57/46/919535746.db2.gz	KNRWUUBUQYRJND-NEPJUHHUSA-N	2	0	312.414	-1.374	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)C1	ZINC001367619518	919536015	/nfs/dbraw/zinc/53/60/15/919536015.db2.gz	OJFVHVMMCNVSSA-CHWSQXEVSA-N	2	0	312.414	-1.373	20	0		DAADRP
CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1)[NH+](C)C	ZINC001367626040	919540048	/nfs/dbraw/zinc/54/00/48/919540048.db2.gz	UALSGDIZRCUTNX-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001367627873	919540948	/nfs/dbraw/zinc/54/09/48/919540948.db2.gz	WMNPFVRQZCUZNY-NEPJUHHUSA-N	2	0	300.403	-1.517	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C	ZINC001367695847	919559826	/nfs/dbraw/zinc/55/98/26/919559826.db2.gz	MRVXKBDHPJJNMV-SNVBAGLBSA-N	2	0	301.391	-1.122	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1	ZINC001368012676	919603666	/nfs/dbraw/zinc/60/36/66/919603666.db2.gz	JSIHPGFZGBSILM-JTQLQIEISA-N	2	0	311.386	-1.096	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1	ZINC001368292277	919669069	/nfs/dbraw/zinc/66/90/69/919669069.db2.gz	YOEACNRPECSCOS-ZFWWWQNUSA-N	2	0	315.414	-1.500	20	0		DAADRP
CC[C@@H](C(=O)NCCN1CCC([NH2+]CC(N)=O)CC1)[NH+](C)C	ZINC001368361477	919702721	/nfs/dbraw/zinc/70/27/21/919702721.db2.gz	QRZOABFIHYWGLT-ZDUSSCGKSA-N	2	0	313.446	-1.018	20	0		DAADRP
O=C(N(CCO)CC[NH2+][C@H]1CCNC1=O)C12CC[NH+](CC1)C2	ZINC001368412506	919717600	/nfs/dbraw/zinc/71/76/00/919717600.db2.gz	RGLCSYZBDGEHTG-LBPRGKRZSA-N	2	0	310.398	-1.619	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1	ZINC001368517064	919735475	/nfs/dbraw/zinc/73/54/75/919735475.db2.gz	YGXAKVJYWBLAGM-GFCCVEGCSA-N	2	0	310.398	-1.355	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1	ZINC001368517067	919735934	/nfs/dbraw/zinc/73/59/34/919735934.db2.gz	YGXAKVJYWBLAGM-LBPRGKRZSA-N	2	0	310.398	-1.355	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1	ZINC001368534921	919740041	/nfs/dbraw/zinc/74/00/41/919740041.db2.gz	FOJRKIHOCQRMRZ-PHIMTYICSA-N	2	0	311.386	-1.239	20	0		DAADRP
CNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1	ZINC001368629087	919750853	/nfs/dbraw/zinc/75/08/53/919750853.db2.gz	LTOGLODYVQBPQJ-OAHLLOKOSA-N	2	0	312.414	-1.229	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1	ZINC001368822152	919779429	/nfs/dbraw/zinc/77/94/29/919779429.db2.gz	CJTKFCKCTKVMRE-UHFFFAOYSA-N	2	0	311.386	-1.239	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCC2)CC[N@@H+]1C	ZINC001369320014	919854762	/nfs/dbraw/zinc/85/47/62/919854762.db2.gz	BDQXLBFEUMNBKU-FRRDWIJNSA-N	2	0	312.414	-1.374	20	0		DAADRP
CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O	ZINC001369325053	919856517	/nfs/dbraw/zinc/85/65/17/919856517.db2.gz	QMJCJUZZVOPVKW-GHMZBOCLSA-N	2	0	300.403	-1.199	20	0		DAADRP
CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001369330741	919863681	/nfs/dbraw/zinc/86/36/81/919863681.db2.gz	XXCKTBVRNUXVRE-GRYCIOLGSA-N	2	0	300.403	-1.471	20	0		DAADRP
O=C(C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)N1CCC1	ZINC001369330683	919864447	/nfs/dbraw/zinc/86/44/47/919864447.db2.gz	XWANETHCAWKWRO-KGLIPLIRSA-N	2	0	324.425	-1.373	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1	ZINC001369346668	919886189	/nfs/dbraw/zinc/88/61/89/919886189.db2.gz	JPINFNFSVYIOOL-CHWSQXEVSA-N	2	0	314.430	-1.079	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C	ZINC001369351079	919890195	/nfs/dbraw/zinc/89/01/95/919890195.db2.gz	SNLSCSIAIGXQFL-VHSXEESVSA-N	2	0	317.390	-2.151	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001369354286	919891196	/nfs/dbraw/zinc/89/11/96/919891196.db2.gz	UVOQZCXVYHLQTA-GHMZBOCLSA-N	2	0	313.402	-1.027	20	0		DAADRP
CC(C)N(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001369378124	919914679	/nfs/dbraw/zinc/91/46/79/919914679.db2.gz	BALOWUWXSIGMDH-STQMWFEESA-N	2	0	314.430	-1.128	20	0		DAADRP
CC(C)N(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001369378117	919915268	/nfs/dbraw/zinc/91/52/68/919915268.db2.gz	BALOWUWXSIGMDH-CHWSQXEVSA-N	2	0	314.430	-1.128	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)C[N@H+](C)CC(C)(C)C	ZINC001369474281	919947936	/nfs/dbraw/zinc/94/79/36/919947936.db2.gz	JAGXCHDLTSVXPI-NSHDSACASA-N	2	0	302.419	-1.142	20	0		DAADRP
COC[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001369470145	919948472	/nfs/dbraw/zinc/94/84/72/919948472.db2.gz	NFZPRQTZBRZKCN-RDBSUJKOSA-N	2	0	317.430	-1.113	20	0		DAADRP
COC[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001369470144	919950292	/nfs/dbraw/zinc/95/02/92/919950292.db2.gz	NFZPRQTZBRZKCN-MJBXVCDLSA-N	2	0	317.430	-1.113	20	0		DAADRP
COC[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001369470143	919950394	/nfs/dbraw/zinc/95/03/94/919950394.db2.gz	NFZPRQTZBRZKCN-MCIONIFRSA-N	2	0	317.430	-1.113	20	0		DAADRP
C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1)C(N)=O	ZINC001369478682	919954802	/nfs/dbraw/zinc/95/48/02/919954802.db2.gz	AQOHCHBTQJJAHU-PWSUYJOCSA-N	2	0	300.403	-1.389	20	0		DAADRP
CC[N@H+](C)CCC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCNC1=O	ZINC001369481303	919955865	/nfs/dbraw/zinc/95/58/65/919955865.db2.gz	QBZGNUCFFKMVPO-NEPJUHHUSA-N	2	0	300.403	-1.374	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)CC[NH+](C)C	ZINC001369483689	919958700	/nfs/dbraw/zinc/95/87/00/919958700.db2.gz	LOSSOKLNHVGDSO-LBPRGKRZSA-N	2	0	300.403	-1.421	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001369489468	919960960	/nfs/dbraw/zinc/96/09/60/919960960.db2.gz	VSQKKDCOBKJDIU-ZDUSSCGKSA-N	2	0	314.430	-1.127	20	0		DAADRP
CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C	ZINC001370397905	920055468	/nfs/dbraw/zinc/05/54/68/920055468.db2.gz	UOCMLNOHTOEFOR-CMPLNLGQSA-N	2	0	313.402	-1.042	20	0		DAADRP
C[C@H]([NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O	ZINC001370405849	920057011	/nfs/dbraw/zinc/05/70/11/920057011.db2.gz	RWQQWUSJADPUNC-QWRGUYRKSA-N	2	0	323.397	-1.144	20	0		DAADRP
C[NH+](C)CCCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001370709691	920135282	/nfs/dbraw/zinc/13/52/82/920135282.db2.gz	VKDKDNLULHUWPL-QWHCGFSZSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[NH+](C)CCCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001370709690	920136104	/nfs/dbraw/zinc/13/61/04/920136104.db2.gz	VKDKDNLULHUWPL-OLZOCXBDSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCOCC1	ZINC001371473824	920265173	/nfs/dbraw/zinc/26/51/73/920265173.db2.gz	OMDDTNYLSMCCLW-CHWSQXEVSA-N	2	0	312.414	-1.109	20	0		DAADRP
C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCOCC1	ZINC001371473828	920265324	/nfs/dbraw/zinc/26/53/24/920265324.db2.gz	OMDDTNYLSMCCLW-OLZOCXBDSA-N	2	0	312.414	-1.109	20	0		DAADRP
CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)[NH+](C)C	ZINC001371472274	920265742	/nfs/dbraw/zinc/26/57/42/920265742.db2.gz	SFFAVAVHZGKUSB-JHJVBQTASA-N	2	0	314.430	-1.034	20	0		DAADRP
C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCOCC1	ZINC001371473832	920266511	/nfs/dbraw/zinc/26/65/11/920266511.db2.gz	OMDDTNYLSMCCLW-QWHCGFSZSA-N	2	0	312.414	-1.109	20	0		DAADRP
C[C@@H]([NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)NC(N)=O	ZINC001372943702	920438483	/nfs/dbraw/zinc/43/84/83/920438483.db2.gz	HFCUEQNUCXHGEI-SNVBAGLBSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH2+]CC(=O)NC(N)=O	ZINC001374070058	920581047	/nfs/dbraw/zinc/58/10/47/920581047.db2.gz	CWJGSVVWGHPCCU-QWRGUYRKSA-N	2	0	313.402	-1.135	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001374588732	920627417	/nfs/dbraw/zinc/62/74/17/920627417.db2.gz	FYAVKMCNZRZOOI-ZJUUUORDSA-N	2	0	315.374	-2.397	20	0		DAADRP
C[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)CC1	ZINC001374641072	920668094	/nfs/dbraw/zinc/66/80/94/920668094.db2.gz	ILYWYRZPOQNWGX-CYBMUJFWSA-N	2	0	312.414	-1.327	20	0		DAADRP
C[NH+]1CCC(OCC(=O)NC[C@H](O)C[NH2+]CC(N)=O)CC1	ZINC001374654340	920674155	/nfs/dbraw/zinc/67/41/55/920674155.db2.gz	AEGFMFCNWOSAAR-SNVBAGLBSA-N	2	0	302.375	-2.351	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O	ZINC001374674943	920687402	/nfs/dbraw/zinc/68/74/02/920687402.db2.gz	SOAGWDVFCSRURD-RYUDHWBXSA-N	2	0	300.403	-1.327	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)NC(N)=O	ZINC001374685544	920693729	/nfs/dbraw/zinc/69/37/29/920693729.db2.gz	OVCLRQADXRRBBW-UWVGGRQHSA-N	2	0	317.390	-2.023	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)NC(N)=O	ZINC001374685541	920694794	/nfs/dbraw/zinc/69/47/94/920694794.db2.gz	OVCLRQADXRRBBW-NXEZZACHSA-N	2	0	317.390	-2.023	20	0		DAADRP
CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(=O)NC)[NH+](C)C	ZINC001374932898	920731755	/nfs/dbraw/zinc/73/17/55/920731755.db2.gz	CJEOHEUJGPAFRH-UWVGGRQHSA-N	2	0	301.391	-1.124	20	0		DAADRP
C[NH+](C)CCn1cc(C(=O)NCC2([NH2+]CC(N)=O)CC2)cn1	ZINC001375507216	920779220	/nfs/dbraw/zinc/77/92/20/920779220.db2.gz	UPLJVBGUOOMEQJ-UHFFFAOYSA-N	2	0	308.386	-1.218	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC(=O)NC(N)=O)CC2)C1	ZINC001375522793	920782452	/nfs/dbraw/zinc/78/24/52/920782452.db2.gz	SNBRFHFBVVGWJA-JTQLQIEISA-N	2	0	311.386	-1.239	20	0		DAADRP
CC[C@H](C(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O)[NH+](C)C	ZINC001376544525	920976391	/nfs/dbraw/zinc/97/63/91/920976391.db2.gz	FUIWEQTYILWSAW-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)C[NH+]2CCCC2)C1	ZINC001376629029	920994716	/nfs/dbraw/zinc/99/47/16/920994716.db2.gz	OEXYWALTOWOHGX-OLZOCXBDSA-N	2	0	312.414	-1.373	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)C[NH+]2CCCC2)C1	ZINC001376629035	920996866	/nfs/dbraw/zinc/99/68/66/920996866.db2.gz	OEXYWALTOWOHGX-QWHCGFSZSA-N	2	0	312.414	-1.373	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+][C@@H]1CCCNC1=O	ZINC001376642337	921001143	/nfs/dbraw/zinc/00/11/43/921001143.db2.gz	ZBNLGMFHRBDOQU-CHWSQXEVSA-N	2	0	312.414	-1.230	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1	ZINC001376857019	921044659	/nfs/dbraw/zinc/04/46/59/921044659.db2.gz	CGUPYWXWTMDMAO-STQMWFEESA-N	2	0	312.414	-1.157	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1	ZINC001376857017	921045022	/nfs/dbraw/zinc/04/50/22/921045022.db2.gz	CGUPYWXWTMDMAO-QWHCGFSZSA-N	2	0	312.414	-1.157	20	0		DAADRP
CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(N)=O	ZINC001377592189	921841642	/nfs/dbraw/zinc/84/16/42/921841642.db2.gz	UCGYHRLLDSXHBE-JTQLQIEISA-N	2	0	301.391	-1.040	20	0		DAADRP
C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001378649032	921989072	/nfs/dbraw/zinc/98/90/72/921989072.db2.gz	PZIANKQPFNWKOL-QWRGUYRKSA-N	2	0	310.402	-1.098	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001379204926	922068725	/nfs/dbraw/zinc/06/87/25/922068725.db2.gz	CTAUMSJGJFLSIU-IJLUTSLNSA-N	2	0	300.403	-1.471	20	0		DAADRP
C[N@H+](CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O)C1CCC1	ZINC001379206504	922073193	/nfs/dbraw/zinc/07/31/93/922073193.db2.gz	ODECZFPZFBALPQ-STQMWFEESA-N	2	0	312.414	-1.184	20	0		DAADRP
O=C(CCC[NH+]1CCCC1)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O	ZINC001379287937	922116233	/nfs/dbraw/zinc/11/62/33/922116233.db2.gz	ILNJXFSXGDAKTM-STQMWFEESA-N	2	0	312.414	-1.182	20	0		DAADRP
O=C(CCC[NH+]1CCCC1)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O	ZINC001379287935	922117230	/nfs/dbraw/zinc/11/72/30/922117230.db2.gz	ILNJXFSXGDAKTM-QWHCGFSZSA-N	2	0	312.414	-1.182	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1	ZINC001379295819	922119281	/nfs/dbraw/zinc/11/92/81/922119281.db2.gz	SMQWWLPUHYXINT-OCCSQVGLSA-N	2	0	314.430	-1.081	20	0		DAADRP
COC[C@H](O)C[NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2	ZINC001379433611	922175032	/nfs/dbraw/zinc/17/50/32/922175032.db2.gz	LBEFGVYTPMUJSN-QWHCGFSZSA-N	2	0	315.414	-1.311	20	0		DAADRP
COC[C@H](O)C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1	ZINC001379472644	922191189	/nfs/dbraw/zinc/19/11/89/922191189.db2.gz	YBLLPDHKBKLSBU-CHWSQXEVSA-N	2	0	303.403	-1.598	20	0		DAADRP
COC[C@@H](O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001379478363	922196040	/nfs/dbraw/zinc/19/60/40/922196040.db2.gz	YVZXHUGSAVEZOI-XUXIUFHCSA-N	2	0	317.430	-1.209	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCN(C)C1=O	ZINC001379504040	922207417	/nfs/dbraw/zinc/20/74/17/922207417.db2.gz	RVONOXKMXYMFAS-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)C1	ZINC001379503888	922207884	/nfs/dbraw/zinc/20/78/84/922207884.db2.gz	JHOIVVJGNMQACZ-OLZOCXBDSA-N	2	0	310.402	-1.313	20	0		DAADRP
CC(C)[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)CC1	ZINC001379510868	922210590	/nfs/dbraw/zinc/21/05/90/922210590.db2.gz	ZUMRMPKFBMBJQZ-LBPRGKRZSA-N	2	0	300.403	-1.341	20	0		DAADRP
CC(C)CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001379527534	922215878	/nfs/dbraw/zinc/21/58/78/922215878.db2.gz	NPFUBRYUXHYKBF-CHWSQXEVSA-N	2	0	314.430	-1.223	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCN2CCNC2=O)C1	ZINC001379531300	922221408	/nfs/dbraw/zinc/22/14/08/922221408.db2.gz	VQADKLCGBXZBHO-NEPJUHHUSA-N	2	0	313.402	-1.970	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001379583889	922229150	/nfs/dbraw/zinc/22/91/50/922229150.db2.gz	WDUWJYSAIIHPRZ-QWRGUYRKSA-N	2	0	313.402	-1.122	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1	ZINC001379785713	922261231	/nfs/dbraw/zinc/26/12/31/922261231.db2.gz	BHJJFQMENNSNGK-GFCCVEGCSA-N	2	0	314.430	-1.032	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001379818132	922272020	/nfs/dbraw/zinc/27/20/20/922272020.db2.gz	RCXGMCDZYVBEAI-STQMWFEESA-N	2	0	314.430	-1.032	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001379818454	922273682	/nfs/dbraw/zinc/27/36/82/922273682.db2.gz	ACKYNTJODRLENO-QWHCGFSZSA-N	2	0	312.414	-1.278	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001379836475	922275816	/nfs/dbraw/zinc/27/58/16/922275816.db2.gz	SPKDTCDZCRAOBK-RYUDHWBXSA-N	2	0	300.403	-1.517	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001379836470	922275861	/nfs/dbraw/zinc/27/58/61/922275861.db2.gz	SPKDTCDZCRAOBK-NEPJUHHUSA-N	2	0	300.403	-1.517	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001379838047	922276674	/nfs/dbraw/zinc/27/66/74/922276674.db2.gz	VYWLPRLERCKSBU-QWHCGFSZSA-N	2	0	314.430	-1.127	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C	ZINC001379846958	922280682	/nfs/dbraw/zinc/28/06/82/922280682.db2.gz	XVECVBLMXGJTOZ-NWDGAFQWSA-N	2	0	300.403	-1.422	20	0		DAADRP
CCN1CCO[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)C1	ZINC001379861787	922283096	/nfs/dbraw/zinc/28/30/96/922283096.db2.gz	GWFRFJBICPUALM-MNOVXSKESA-N	2	0	302.375	-2.399	20	0		DAADRP
CCN1CCO[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)C1	ZINC001379861788	922284729	/nfs/dbraw/zinc/28/47/29/922284729.db2.gz	GWFRFJBICPUALM-QWRGUYRKSA-N	2	0	302.375	-2.399	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1	ZINC001379867698	922285011	/nfs/dbraw/zinc/28/50/11/922285011.db2.gz	HXXMFSJAWGWFCJ-OLZOCXBDSA-N	2	0	314.430	-1.127	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+](C)[C@H]1CCNC1=O	ZINC001379970105	922309550	/nfs/dbraw/zinc/30/95/50/922309550.db2.gz	KTFFJNCDIMLJEP-STQMWFEESA-N	2	0	314.430	-1.034	20	0		DAADRP
CC[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001380566086	922394141	/nfs/dbraw/zinc/39/41/41/922394141.db2.gz	PGMIITBIRSYSOL-LRDDRELGSA-N	2	0	324.425	-1.101	20	0		DAADRP
C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CC(=O)NC(N)=O	ZINC001380684432	922436629	/nfs/dbraw/zinc/43/66/29/922436629.db2.gz	CQGKCFLNPHXOMG-QWRGUYRKSA-N	2	0	313.402	-1.183	20	0		DAADRP
C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O	ZINC001380763379	922451763	/nfs/dbraw/zinc/45/17/63/922451763.db2.gz	IIIRSISDGDLRQD-WCQYABFASA-N	2	0	312.414	-1.388	20	0		DAADRP
C[NH+](C)C1(C(=O)N(CCO)CC[NH2+][C@@H]2CCNC2=O)CCC1	ZINC001380765671	922453029	/nfs/dbraw/zinc/45/30/29/922453029.db2.gz	NOMDOIDCMMDGRF-GFCCVEGCSA-N	2	0	312.414	-1.230	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)N(CCO)CC[NH2+][C@H]2CCNC2=O)C1	ZINC001380773930	922457683	/nfs/dbraw/zinc/45/76/83/922457683.db2.gz	NZPUGFLSMHYUKS-OLZOCXBDSA-N	2	0	312.414	-1.373	20	0		DAADRP
CNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1	ZINC001381055881	922494979	/nfs/dbraw/zinc/49/49/79/922494979.db2.gz	PQAFOUSSDKCWEZ-IUODEOHRSA-N	2	0	312.414	-1.373	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1	ZINC001381937275	922569296	/nfs/dbraw/zinc/56/92/96/922569296.db2.gz	ZLGMZFVDDAMYEY-KKOKHZNYSA-N	2	0	323.397	-1.573	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1	ZINC001381937273	922570430	/nfs/dbraw/zinc/57/04/30/922570430.db2.gz	ZLGMZFVDDAMYEY-FIQHERPVSA-N	2	0	323.397	-1.573	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]CC(=O)NC(C)(C)C	ZINC001382234080	922630667	/nfs/dbraw/zinc/63/06/67/922630667.db2.gz	JBSPZFYRWMUSTA-LLVKDONJSA-N	2	0	302.419	-1.081	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCc2ncnn21	ZINC001382237456	922634620	/nfs/dbraw/zinc/63/46/20/922634620.db2.gz	QZOKKUPYGBRULV-VXGBXAGGSA-N	2	0	310.402	-1.216	20	0		DAADRP
CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001382266707	922653275	/nfs/dbraw/zinc/65/32/75/922653275.db2.gz	MGOODYQIENMHPF-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001382268495	922655543	/nfs/dbraw/zinc/65/55/43/922655543.db2.gz	XGWJXYSVKQWMCI-RYUDHWBXSA-N	2	0	300.403	-1.517	20	0		DAADRP
CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001382268496	922657000	/nfs/dbraw/zinc/65/70/00/922657000.db2.gz	XGWJXYSVKQWMCI-VXGBXAGGSA-N	2	0	300.403	-1.517	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(C)(C)C)C1	ZINC001382273620	922659674	/nfs/dbraw/zinc/65/96/74/922659674.db2.gz	LRXSJPFGTPOAAU-NWDGAFQWSA-N	2	0	314.430	-1.081	20	0		DAADRP
CNC(=O)C[NH2+][C@@H](CO)CNC(=O)CC[NH+]1CCCCC1	ZINC001382278102	922662269	/nfs/dbraw/zinc/66/22/69/922662269.db2.gz	BKAYLIVZVWBXLW-GFCCVEGCSA-N	2	0	300.403	-1.325	20	0		DAADRP
CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001382275446	922662507	/nfs/dbraw/zinc/66/25/07/922662507.db2.gz	SYTOIRGZQWQVFP-VXGBXAGGSA-N	2	0	300.403	-1.517	20	0		DAADRP
CNC(=O)C[NH2+][C@H](CO)CNC(=O)CC[NH+]1CCCCC1	ZINC001382278107	922662643	/nfs/dbraw/zinc/66/26/43/922662643.db2.gz	BKAYLIVZVWBXLW-LBPRGKRZSA-N	2	0	300.403	-1.325	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001382439928	922752108	/nfs/dbraw/zinc/75/21/08/922752108.db2.gz	HGJRFWUTNSYNJE-STQMWFEESA-N	2	0	314.430	-1.128	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[NH+](C)C1	ZINC001382554860	922805960	/nfs/dbraw/zinc/80/59/60/922805960.db2.gz	DVAMISADLIUXGF-QWHCGFSZSA-N	2	0	314.430	-1.127	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[NH+](C)C1	ZINC001382554863	922806642	/nfs/dbraw/zinc/80/66/42/922806642.db2.gz	DVAMISADLIUXGF-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)NC(=O)CC[NH+](C)C)C1	ZINC001382632936	922823790	/nfs/dbraw/zinc/82/37/90/922823790.db2.gz	UJTYYALZMSUBIF-CHWSQXEVSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001383901157	922966870	/nfs/dbraw/zinc/96/68/70/922966870.db2.gz	YWXOGDHJGWTJPE-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[NH+](C)C1	ZINC001383923142	922977510	/nfs/dbraw/zinc/97/75/10/922977510.db2.gz	CYXSRMOEKCMFHF-CHWSQXEVSA-N	2	0	314.430	-1.128	20	0		DAADRP
C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O	ZINC001384036389	923036234	/nfs/dbraw/zinc/03/62/34/923036234.db2.gz	ODCRMLXHYXBYMM-CHWSQXEVSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1	ZINC001388698305	923495182	/nfs/dbraw/zinc/49/51/82/923495182.db2.gz	SOUBZMRHINZBOQ-RWMBFGLXSA-N	2	0	312.414	-1.076	20	0		DAADRP
CN1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001389781626	923678674	/nfs/dbraw/zinc/67/86/74/923678674.db2.gz	PZQRQMNJHBOHMH-UWVGGRQHSA-N	2	0	313.358	-2.298	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1	ZINC001389969604	923705704	/nfs/dbraw/zinc/70/57/04/923705704.db2.gz	HPPSPQKQRJILOK-TUAOUCFPSA-N	2	0	323.397	-1.240	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001391217899	923818663	/nfs/dbraw/zinc/81/86/63/923818663.db2.gz	GKPUCTVUCWDAFW-QWRGUYRKSA-N	2	0	313.402	-1.170	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)C[NH+]1CCCC1	ZINC001392096580	923930806	/nfs/dbraw/zinc/93/08/06/923930806.db2.gz	FJWVETPYORDEDV-CHWSQXEVSA-N	2	0	312.414	-1.230	20	0		DAADRP
CC[NH+](CC)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001392099931	923934316	/nfs/dbraw/zinc/93/43/16/923934316.db2.gz	QYHQNFCFXYXZNX-CHWSQXEVSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001392100514	923935559	/nfs/dbraw/zinc/93/55/59/923935559.db2.gz	NIBSPVHQXQJNKU-WDEREUQCSA-N	2	0	313.402	-1.040	20	0		DAADRP
CCCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001392365743	923978020	/nfs/dbraw/zinc/97/80/20/923978020.db2.gz	OCNUGOLUQIEEGN-RYUDHWBXSA-N	2	0	300.403	-1.327	20	0		DAADRP
C[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O)C1CCC1	ZINC001392371329	923985712	/nfs/dbraw/zinc/98/57/12/923985712.db2.gz	DXRLXZWVBCEEOI-JTQLQIEISA-N	2	0	315.374	-2.268	20	0		DAADRP
CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1	ZINC001392390231	924001378	/nfs/dbraw/zinc/00/13/78/924001378.db2.gz	HRPBCEHUMXUDDA-NEPJUHHUSA-N	2	0	300.403	-1.340	20	0		DAADRP
CC(C)(C(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O)[NH+]1CCCC1	ZINC001392392938	924005784	/nfs/dbraw/zinc/00/57/84/924005784.db2.gz	PWRMNLWUJAQCDW-RYUDHWBXSA-N	2	0	312.414	-1.184	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1	ZINC001392411649	924019611	/nfs/dbraw/zinc/01/96/11/924019611.db2.gz	XAQIYTSVLPYFPY-CYBMUJFWSA-N	2	0	314.430	-1.127	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1	ZINC001392476359	924036183	/nfs/dbraw/zinc/03/61/83/924036183.db2.gz	IWJWFGYZVSLKCK-LLVKDONJSA-N	2	0	310.402	-1.101	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001392562616	924050377	/nfs/dbraw/zinc/05/03/77/924050377.db2.gz	GNGCQUFMBSSTAZ-HBNTYKKESA-N	2	0	313.402	-1.124	20	0		DAADRP
CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001392601589	924055697	/nfs/dbraw/zinc/05/56/97/924055697.db2.gz	WRSMAOBLBMTGDP-GXSJLCMTSA-N	2	0	301.391	-1.138	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C1CC1	ZINC001392766207	924074422	/nfs/dbraw/zinc/07/44/22/924074422.db2.gz	INMSZMRLSYOFBA-MNOVXSKESA-N	2	0	311.386	-1.240	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NC(N)=O)C1CC1	ZINC001392766213	924074972	/nfs/dbraw/zinc/07/49/72/924074972.db2.gz	INMSZMRLSYOFBA-QWRGUYRKSA-N	2	0	311.386	-1.240	20	0		DAADRP
C[C@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)C(=O)NC(N)=O	ZINC001392957642	924101529	/nfs/dbraw/zinc/10/15/29/924101529.db2.gz	XFXLNOIBCMRTTG-UWVGGRQHSA-N	2	0	311.386	-1.240	20	0		DAADRP
CCN1CCO[C@H](C(=O)NCC2([NH2+]C[C@@H](O)COC)CC2)C1	ZINC001392965248	924101861	/nfs/dbraw/zinc/10/18/61/924101861.db2.gz	WPBOJVABLHFIMQ-OLZOCXBDSA-N	2	0	315.414	-1.047	20	0		DAADRP
C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)C(=O)NC(N)=O	ZINC001392957649	924102359	/nfs/dbraw/zinc/10/23/59/924102359.db2.gz	XFXLNOIBCMRTTG-ZJUUUORDSA-N	2	0	311.386	-1.240	20	0		DAADRP
CC[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1	ZINC001393271690	924144604	/nfs/dbraw/zinc/14/46/04/924144604.db2.gz	BVQBGOUWWPFZOT-DOMZBBRYSA-N	2	0	312.414	-1.101	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCCNC2=O)C1	ZINC001393272501	924145127	/nfs/dbraw/zinc/14/51/27/924145127.db2.gz	CZQIMJFFFOCLPO-CJNGLKHVSA-N	2	0	324.425	-1.086	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCCNC2=O)C1	ZINC001393271894	924145230	/nfs/dbraw/zinc/14/52/30/924145230.db2.gz	HOOCNMXVGLADER-DOMZBBRYSA-N	2	0	312.414	-1.230	20	0		DAADRP
CC[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1	ZINC001393271700	924145815	/nfs/dbraw/zinc/14/58/15/924145815.db2.gz	BVQBGOUWWPFZOT-SWLSCSKDSA-N	2	0	312.414	-1.101	20	0		DAADRP
C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1	ZINC001393278199	924147123	/nfs/dbraw/zinc/14/71/23/924147123.db2.gz	RDXUFEOONIOPPU-SWLSCSKDSA-N	2	0	314.430	-1.032	20	0		DAADRP
CC[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1	ZINC001393283297	924150922	/nfs/dbraw/zinc/15/09/22/924150922.db2.gz	YJUAPLLKYOZBEX-FZMZJTMJSA-N	2	0	300.403	-1.245	20	0		DAADRP
CC[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](C[C@H](O)COC)C1)[NH+](C)C	ZINC001393280933	924152984	/nfs/dbraw/zinc/15/29/84/924152984.db2.gz	WYOLADNTPZJCPR-YDHLFZDLSA-N	2	0	317.430	-1.113	20	0		DAADRP
CC[C@@H](C(=O)NC[C@]1(O)CC[N@H+](C[C@H](O)COC)C1)[NH+](C)C	ZINC001393280928	924153683	/nfs/dbraw/zinc/15/36/83/924153683.db2.gz	WYOLADNTPZJCPR-KCQAQPDRSA-N	2	0	317.430	-1.113	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001393453526	924204527	/nfs/dbraw/zinc/20/45/27/924204527.db2.gz	HGSSFLBZSLUQFW-YNEHKIRRSA-N	2	0	314.430	-1.128	20	0		DAADRP
CC[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)C(N)=O	ZINC001393478115	924216685	/nfs/dbraw/zinc/21/66/85/924216685.db2.gz	HPWQUEQCFYEZBT-RYUDHWBXSA-N	2	0	300.403	-1.388	20	0		DAADRP
CC[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O	ZINC001393478112	924217413	/nfs/dbraw/zinc/21/74/13/924217413.db2.gz	HPWQUEQCFYEZBT-NEPJUHHUSA-N	2	0	300.403	-1.388	20	0		DAADRP
O=C(C[NH+]1CCCC1)N(CCO)CC[NH2+][C@H]1CCCNC1=O	ZINC001393486212	924217630	/nfs/dbraw/zinc/21/76/30/924217630.db2.gz	XKGGPNDPFPUZHC-ZDUSSCGKSA-N	2	0	312.414	-1.229	20	0		DAADRP
NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1	ZINC001393575467	924226900	/nfs/dbraw/zinc/22/69/00/924226900.db2.gz	DCQDRIKINCFHPA-QWHCGFSZSA-N	2	0	310.398	-1.370	20	0		DAADRP
C[NH+](C)CC1(C(=O)N2CCC(O)(C[NH2+]CC(N)=O)CC2)CC1	ZINC001393775446	924254876	/nfs/dbraw/zinc/25/48/76/924254876.db2.gz	JEMCIMMLLSMWSE-UHFFFAOYSA-N	2	0	312.414	-1.243	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C	ZINC001393964115	924270477	/nfs/dbraw/zinc/27/04/77/924270477.db2.gz	BQBYGYDZCGSBGF-NXEZZACHSA-N	2	0	301.391	-1.124	20	0		DAADRP
COC[C@@H](O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001394608829	924336518	/nfs/dbraw/zinc/33/65/18/924336518.db2.gz	BOGQMAQXEYUOMP-AVGNSLFASA-N	2	0	303.403	-1.455	20	0		DAADRP
CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1	ZINC001394625653	924343676	/nfs/dbraw/zinc/34/36/76/924343676.db2.gz	ZXAWDWFYDQHSFZ-CYBMUJFWSA-N	2	0	314.430	-1.081	20	0		DAADRP
CN1CCC[C@@H]([NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)C1=O	ZINC001394624334	924343872	/nfs/dbraw/zinc/34/38/72/924343872.db2.gz	WLDOFPOIOBXGGK-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCN(C)C1=O	ZINC001394645326	924352558	/nfs/dbraw/zinc/35/25/58/924352558.db2.gz	VACFOOWMDOMIPL-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CCS(C)(=O)=O)C1	ZINC001394657050	924356728	/nfs/dbraw/zinc/35/67/28/924356728.db2.gz	NWSUNOLHEQQNQN-WDEREUQCSA-N	2	0	307.416	-1.951	20	0		DAADRP
CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1)C(N)=O	ZINC001394754410	924379358	/nfs/dbraw/zinc/37/93/58/924379358.db2.gz	NDBCBRBKRWRMEY-NWDGAFQWSA-N	2	0	300.403	-1.245	20	0		DAADRP
CN(C[C@H](O)C[N@H+](C)[C@@H]1CCNC1=O)C(=O)C[NH+]1CCCC1	ZINC001394796419	924393678	/nfs/dbraw/zinc/39/36/78/924393678.db2.gz	ZADBKDSNLHRSAL-CHWSQXEVSA-N	2	0	312.414	-1.278	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)C23CC[NH+](CC2)C3)C1	ZINC001395733987	924453866	/nfs/dbraw/zinc/45/38/66/924453866.db2.gz	DMPSADHQWZRPQG-OLZOCXBDSA-N	2	0	324.425	-1.373	20	0		DAADRP
CN(C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)CC[NH+](C)C	ZINC001396053016	924506269	/nfs/dbraw/zinc/50/62/69/924506269.db2.gz	PXBVTLSTPXVVKF-QWHCGFSZSA-N	2	0	314.430	-1.032	20	0		DAADRP
CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1	ZINC001396441652	924528873	/nfs/dbraw/zinc/52/88/73/924528873.db2.gz	ZEYFUBHGLNMLPO-OLZOCXBDSA-N	2	0	314.430	-1.032	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001397138166	924559415	/nfs/dbraw/zinc/55/94/15/924559415.db2.gz	XKOYHOQZRVBBNY-XYPYZODXSA-N	2	0	323.397	-1.239	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1	ZINC001397632928	924593467	/nfs/dbraw/zinc/59/34/67/924593467.db2.gz	RCWZWRMLMLLQEJ-PHIMTYICSA-N	2	0	313.402	-1.122	20	0		DAADRP
C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O	ZINC001398578286	924653160	/nfs/dbraw/zinc/65/31/60/924653160.db2.gz	XQHMMOBLAABKJB-DCAQKATOSA-N	2	0	323.397	-1.098	20	0		DAADRP
C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H](C)C(=O)NC(N)=O	ZINC001399125489	924690724	/nfs/dbraw/zinc/69/07/24/924690724.db2.gz	TWUJRCJVSRLYOM-UWVGGRQHSA-N	2	0	311.386	-1.240	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[NH+](C)C1	ZINC001399857452	924746370	/nfs/dbraw/zinc/74/63/70/924746370.db2.gz	SBVMZKTUVKHSBX-OLZOCXBDSA-N	2	0	314.430	-1.127	20	0		DAADRP
CN(CC[NH2+][C@H]1CCNC1=O)C(=O)c1cnn(CC[NH+](C)C)c1	ZINC001400066944	924768870	/nfs/dbraw/zinc/76/88/70/924768870.db2.gz	QHNBUZMKOUIYCE-ZDUSSCGKSA-N	2	0	322.413	-1.005	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001401262478	924853573	/nfs/dbraw/zinc/85/35/73/924853573.db2.gz	SJBJMMVDNUOCSM-MNOVXSKESA-N	2	0	313.402	-1.170	20	0		DAADRP
CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H](O)C[NH2+]CC(N)=O	ZINC001401534318	924877406	/nfs/dbraw/zinc/87/74/06/924877406.db2.gz	BIIVXEVVPNRBLN-LLVKDONJSA-N	2	0	316.402	-2.103	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001401536783	924877493	/nfs/dbraw/zinc/87/74/93/924877493.db2.gz	IZOVHRAKZJYOGG-VXGBXAGGSA-N	2	0	300.403	-1.327	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001401541168	924880392	/nfs/dbraw/zinc/88/03/92/924880392.db2.gz	NXOLKQCTNXWTQM-RYUDHWBXSA-N	2	0	300.403	-1.327	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001401541153	924880575	/nfs/dbraw/zinc/88/05/75/924880575.db2.gz	NXOLKQCTNXWTQM-NEPJUHHUSA-N	2	0	300.403	-1.327	20	0		DAADRP
O=C(NC[C@H](O)C[NH2+][C@@H]1CCNC1=O)C12CCC[NH+]1CCC2	ZINC001401548154	924884767	/nfs/dbraw/zinc/88/47/67/924884767.db2.gz	ANFMJZIBYJQUIC-VXGBXAGGSA-N	2	0	310.398	-1.430	20	0		DAADRP
O=C(NC[C@@H](O)C[NH2+][C@H]1CCNC1=O)C12CCC[NH+]1CCC2	ZINC001401548140	924884997	/nfs/dbraw/zinc/88/49/97/924884997.db2.gz	ANFMJZIBYJQUIC-RYUDHWBXSA-N	2	0	310.398	-1.430	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O)C1	ZINC001401562100	924892969	/nfs/dbraw/zinc/89/29/69/924892969.db2.gz	UPSUBHHMXHENKK-UWVGGRQHSA-N	2	0	315.374	-2.410	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)C1	ZINC001401562098	924893118	/nfs/dbraw/zinc/89/31/18/924893118.db2.gz	UPSUBHHMXHENKK-NXEZZACHSA-N	2	0	315.374	-2.410	20	0		DAADRP
C[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)CC1	ZINC001401565845	924894893	/nfs/dbraw/zinc/89/48/93/924894893.db2.gz	WUFITROPOWQCQG-SNVBAGLBSA-N	2	0	315.374	-2.410	20	0		DAADRP
CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C2(C[NH+](C)C)CC2)C1=O	ZINC001401575060	924899680	/nfs/dbraw/zinc/89/96/80/924899680.db2.gz	RLCCZINSQGDGKN-NEPJUHHUSA-N	2	0	312.414	-1.374	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1	ZINC001402637841	925018872	/nfs/dbraw/zinc/01/88/72/925018872.db2.gz	JWAGQIXMNZIEKW-PHIMTYICSA-N	2	0	311.386	-1.225	20	0		DAADRP
C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)([NH2+]CC(N)=O)C2)CC[N@@H+]1C	ZINC001402718801	925025548	/nfs/dbraw/zinc/02/55/48/925025548.db2.gz	NPRSSIDOUJNRBP-JMSVASOKSA-N	2	0	312.414	-1.245	20	0		DAADRP
C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CC(N)=O)C2)CC[N@@H+]1C	ZINC001402718817	925026023	/nfs/dbraw/zinc/02/60/23/925026023.db2.gz	NPRSSIDOUJNRBP-LALPHHSUSA-N	2	0	312.414	-1.245	20	0		DAADRP
C[C@@H]([NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C(N)=O	ZINC001402791223	925028758	/nfs/dbraw/zinc/02/87/58/925028758.db2.gz	ATLSLJVHJBKILI-VXGBXAGGSA-N	2	0	312.414	-1.103	20	0		DAADRP
C[C@@H]([NH2+]CC1(O)CCN(C(=O)CC[NH+](C)C)CC1)C(N)=O	ZINC001402787898	925030066	/nfs/dbraw/zinc/03/00/66/925030066.db2.gz	DPOWRUXSRHOZIG-LLVKDONJSA-N	2	0	300.403	-1.245	20	0		DAADRP
C[C@H](CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CC(N)=O	ZINC001403462933	925078183	/nfs/dbraw/zinc/07/81/83/925078183.db2.gz	GJRAZTIEAQUGHD-NWDGAFQWSA-N	2	0	300.403	-1.076	20	0		DAADRP
CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1	ZINC001403667167	925106063	/nfs/dbraw/zinc/10/60/63/925106063.db2.gz	JPEZALIIAQDMRZ-LLVKDONJSA-N	2	0	300.403	-1.327	20	0		DAADRP
O=C(NC[C@@H](CO)[NH2+]CCO)c1ccn(-c2cc[nH+]cc2)n1	ZINC001403692580	925119290	/nfs/dbraw/zinc/11/92/90/925119290.db2.gz	SLYKZHZHUGWYKX-NSHDSACASA-N	2	0	305.338	-1.060	20	0		DAADRP
CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001403707328	925124067	/nfs/dbraw/zinc/12/40/67/925124067.db2.gz	VGRAXKYBMHWSAG-BDAKNGLRSA-N	2	0	303.363	-2.412	20	0		DAADRP
CC(C)[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C)[NH+](C)C	ZINC001403710339	925124082	/nfs/dbraw/zinc/12/40/82/925124082.db2.gz	AJYICNFGTWGHBX-AAEUAGOBSA-N	2	0	302.419	-1.273	20	0		DAADRP
C[C@H]([NH2+][C@H](CO)CNC(=O)COC1CC[NH+](C)CC1)C(N)=O	ZINC001403720383	925128877	/nfs/dbraw/zinc/12/88/77/925128877.db2.gz	MTAWNPBBVVHUCY-QWRGUYRKSA-N	2	0	316.402	-1.962	20	0		DAADRP
CN1CCC[C@H]([NH2+][C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001403725484	925130225	/nfs/dbraw/zinc/13/02/25/925130225.db2.gz	MCJCETDXLBIRDT-STQMWFEESA-N	2	0	324.425	-1.230	20	0		DAADRP
CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001403731928	925132079	/nfs/dbraw/zinc/13/20/79/925132079.db2.gz	RCICLEMJHPQSHR-OLZOCXBDSA-N	2	0	314.430	-1.081	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]CCN1CCNC1=O	ZINC001403741220	925135217	/nfs/dbraw/zinc/13/52/17/925135217.db2.gz	ILWWZUXBQDXETC-LBPRGKRZSA-N	2	0	313.402	-1.826	20	0		DAADRP
Cn1cc(CC[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)cn1	ZINC001403749222	925136876	/nfs/dbraw/zinc/13/68/76/925136876.db2.gz	PSKHFCUVVBBYMJ-KBPBESRZSA-N	2	0	309.414	-1.019	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCCC2)C1	ZINC001403751502	925137005	/nfs/dbraw/zinc/13/70/05/925137005.db2.gz	QVYOAYUVSPTTMM-CHWSQXEVSA-N	2	0	312.414	-1.373	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001403826558	925147549	/nfs/dbraw/zinc/14/75/49/925147549.db2.gz	BUCXWGDPZKZKSQ-FRRDWIJNSA-N	2	0	314.430	-1.128	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001403854550	925155524	/nfs/dbraw/zinc/15/55/24/925155524.db2.gz	RPVJNQBYIVSRON-VXGBXAGGSA-N	2	0	300.403	-1.245	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)C(C)C	ZINC001403873024	925160434	/nfs/dbraw/zinc/16/04/34/925160434.db2.gz	FFMPZQDORUBMGG-VXGBXAGGSA-N	2	0	302.419	-1.130	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C	ZINC001403883842	925163000	/nfs/dbraw/zinc/16/30/00/925163000.db2.gz	PLVBSZBLEAACLS-GFCCVEGCSA-N	2	0	302.419	-1.176	20	0		DAADRP
C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)COC1CC[NH+](C)CC1	ZINC001403887642	925165248	/nfs/dbraw/zinc/16/52/48/925165248.db2.gz	YPIBXHVHQNBWTP-STQMWFEESA-N	2	0	317.430	-1.113	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@H](O)C[N@H+](C)CCO	ZINC001403924029	925173550	/nfs/dbraw/zinc/17/35/50/925173550.db2.gz	YAPJXEIOPIHHLX-ZIAGYGMSSA-N	2	0	317.430	-1.302	20	0		DAADRP
C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(N)=O	ZINC001404306317	925190425	/nfs/dbraw/zinc/19/04/25/925190425.db2.gz	ABPIFJDBBZFKMO-GMTAPVOTSA-N	2	0	313.402	-1.042	20	0		DAADRP
CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(N)=O)[NH+](C)C	ZINC001404309585	925190461	/nfs/dbraw/zinc/19/04/61/925190461.db2.gz	GLUTZHVZSWYUNN-VHSXEESVSA-N	2	0	301.391	-1.042	20	0		DAADRP
C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)c1ccn(CC[NH+](C)C)n1	ZINC001405822016	925338402	/nfs/dbraw/zinc/33/84/02/925338402.db2.gz	YUMGLAKMZCKLDD-NSHDSACASA-N	2	0	310.402	-1.020	20	0		DAADRP
CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001406238547	925369550	/nfs/dbraw/zinc/36/95/50/925369550.db2.gz	HCZDKCYLBRZCOM-RKDXNWHRSA-N	2	0	303.363	-2.412	20	0		DAADRP
NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1	ZINC001406253162	925376702	/nfs/dbraw/zinc/37/67/02/925376702.db2.gz	WYIQAIKVWOCZOA-CHWSQXEVSA-N	2	0	312.414	-1.055	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O	ZINC001406261093	925384039	/nfs/dbraw/zinc/38/40/39/925384039.db2.gz	CFIYRSJQKRGRTK-CHWSQXEVSA-N	2	0	314.430	-1.034	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1	ZINC001406266528	925385887	/nfs/dbraw/zinc/38/58/87/925385887.db2.gz	MOYKTODHLJFZON-DGCLKSJQSA-N	2	0	314.430	-1.081	20	0		DAADRP
CN1CCC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001406276881	925390317	/nfs/dbraw/zinc/39/03/17/925390317.db2.gz	IECWODAIMJPWEV-CHWSQXEVSA-N	2	0	324.425	-1.230	20	0		DAADRP
O=C(C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)NCC1CC1	ZINC001406284042	925393854	/nfs/dbraw/zinc/39/38/54/925393854.db2.gz	OBXYDOVDYXOYPD-CYBMUJFWSA-N	2	0	324.425	-1.325	20	0		DAADRP
C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCC(C)CC1)C(N)=O	ZINC001406299470	925400829	/nfs/dbraw/zinc/40/08/29/925400829.db2.gz	ZQLOOVNSVCYQNS-VXGBXAGGSA-N	2	0	300.403	-1.341	20	0		DAADRP
C[C@H]([NH2+]C[C@H](O)CNC(=O)C[NH+]1CCC(C)CC1)C(N)=O	ZINC001406299462	925401087	/nfs/dbraw/zinc/40/10/87/925401087.db2.gz	ZQLOOVNSVCYQNS-RYUDHWBXSA-N	2	0	300.403	-1.341	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O	ZINC001406315015	925401433	/nfs/dbraw/zinc/40/14/33/925401433.db2.gz	YUAGPAYIRIUHIM-NWDGAFQWSA-N	2	0	300.403	-1.376	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)N(C)C	ZINC001406315684	925401502	/nfs/dbraw/zinc/40/15/02/925401502.db2.gz	ZFPUPEFYSRSDLC-NWDGAFQWSA-N	2	0	302.419	-1.130	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC(=O)NC(N)=O)C1	ZINC001407115856	925453198	/nfs/dbraw/zinc/45/31/98/925453198.db2.gz	SSGRMABIFWWTLD-QWRGUYRKSA-N	2	0	311.386	-1.286	20	0		DAADRP
CC(C)[C@H](C(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O)[NH+](C)C	ZINC001407662867	925516133	/nfs/dbraw/zinc/51/61/33/925516133.db2.gz	QOEDIIIBCMLUFE-QWHCGFSZSA-N	2	0	314.430	-1.128	20	0		DAADRP
C[NH+](C)CCCC(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1	ZINC001408049323	925543283	/nfs/dbraw/zinc/54/32/83/925543283.db2.gz	NVZREPDEJUSYGA-AWEZNQCLSA-N	2	0	300.403	-1.243	20	0		DAADRP
CNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC001408150319	925551003	/nfs/dbraw/zinc/55/10/03/925551003.db2.gz	DFFWTNWZSSPCMU-GFCCVEGCSA-N	2	0	312.414	-1.230	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001410075317	925673427	/nfs/dbraw/zinc/67/34/27/925673427.db2.gz	CUAFNVITBCFSEB-STQMWFEESA-N	2	0	324.425	-1.230	20	0		DAADRP
C[NH+](C)C1(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCCNC2=O)CCC1	ZINC001410665101	925753380	/nfs/dbraw/zinc/75/33/80/925753380.db2.gz	WTWHRZOJCIYHSZ-RYUDHWBXSA-N	2	0	312.414	-1.184	20	0		DAADRP
C[C@H]([NH2+][C@H](CO)CNC(=O)CC1CC[NH+](C)CC1)C(N)=O	ZINC001410723940	925766651	/nfs/dbraw/zinc/76/66/51/925766651.db2.gz	JWFNXOMUAHSENS-JQWIXIFHSA-N	2	0	300.403	-1.341	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCC2)C1	ZINC001410754558	925770880	/nfs/dbraw/zinc/77/08/80/925770880.db2.gz	OTMHBJOZYQYNLC-OLZOCXBDSA-N	2	0	312.414	-1.373	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001411138501	925819376	/nfs/dbraw/zinc/81/93/76/925819376.db2.gz	LVEWAOCBNPMCPJ-QWHCGFSZSA-N	2	0	312.414	-1.421	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001411148019	925820636	/nfs/dbraw/zinc/82/06/36/925820636.db2.gz	ULIMSZBQJLEIMS-QWHCGFSZSA-N	2	0	314.430	-1.175	20	0		DAADRP
CN(C[C@H](O)C[N@H+](C)[C@@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001411177623	925827996	/nfs/dbraw/zinc/82/79/96/925827996.db2.gz	DBPZLRKZWAMTMX-CHWSQXEVSA-N	2	0	324.425	-1.278	20	0		DAADRP
CN(C[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001413271180	926024396	/nfs/dbraw/zinc/02/43/96/926024396.db2.gz	SFDZGSAAKMHWNE-CHWSQXEVSA-N	2	0	314.430	-1.175	20	0		DAADRP
CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)CC[NH+](C)C	ZINC001413326622	926036739	/nfs/dbraw/zinc/03/67/39/926036739.db2.gz	COSACQPYPORIEO-OLZOCXBDSA-N	2	0	314.430	-1.175	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001416778967	926273956	/nfs/dbraw/zinc/27/39/56/926273956.db2.gz	QOIBHPZAMSZITP-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1	ZINC001418311725	926381721	/nfs/dbraw/zinc/38/17/21/926381721.db2.gz	AQUCVEQPIRHBGZ-NEPJUHHUSA-N	2	0	300.403	-1.205	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CC[NH+](C)C	ZINC001418833866	926426515	/nfs/dbraw/zinc/42/65/15/926426515.db2.gz	SBZHPIGLYLBUKR-JTQLQIEISA-N	2	0	301.391	-1.170	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]CC(=O)NC(N)=O	ZINC001419533275	926483760	/nfs/dbraw/zinc/48/37/60/926483760.db2.gz	FPFUULZTFQQMQG-SNVBAGLBSA-N	2	0	301.391	-1.137	20	0		DAADRP
C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCN(C)S(C)(=O)=O	ZINC001419927694	926508535	/nfs/dbraw/zinc/50/85/35/926508535.db2.gz	SIXDMHJIMXHPGV-RYUDHWBXSA-N	2	0	320.459	-1.076	20	0		DAADRP
CC(C)CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001420119192	926528987	/nfs/dbraw/zinc/52/89/87/926528987.db2.gz	ZWBKNLPFFBVGDM-QWHCGFSZSA-N	2	0	314.430	-1.081	20	0		DAADRP
O=C(NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C12CCC[NH+](CCC1)C2	ZINC001420139817	926539034	/nfs/dbraw/zinc/53/90/34/926539034.db2.gz	BZTJJNFPNYZMGP-QWHCGFSZSA-N	2	0	324.425	-1.182	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C1CCC1	ZINC001420138631	926540954	/nfs/dbraw/zinc/54/09/54/926540954.db2.gz	LWORUSBRGTUGPT-ZYHUDNBSSA-N	2	0	300.403	-1.328	20	0		DAADRP
C[C@H]([NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O	ZINC001420154580	926545342	/nfs/dbraw/zinc/54/53/42/926545342.db2.gz	FKBQAKGBWYTTHR-QWRGUYRKSA-N	2	0	300.403	-1.199	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)CC(C)(C)C	ZINC001420174878	926551008	/nfs/dbraw/zinc/55/10/08/926551008.db2.gz	OMZSHHCHIJEZRQ-LLVKDONJSA-N	2	0	302.419	-1.223	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)CC(C)(C)C	ZINC001420174881	926551175	/nfs/dbraw/zinc/55/11/75/926551175.db2.gz	OMZSHHCHIJEZRQ-NSHDSACASA-N	2	0	302.419	-1.223	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)C1	ZINC001420177853	926552917	/nfs/dbraw/zinc/55/29/17/926552917.db2.gz	YEBLLTGCQQTNJA-DGCLKSJQSA-N	2	0	312.414	-1.327	20	0		DAADRP
O=C(NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)C12CC[NH+](CC1)C2	ZINC001420197411	926561115	/nfs/dbraw/zinc/56/11/15/926561115.db2.gz	OJHLLUXACSTTNE-NWDGAFQWSA-N	2	0	310.398	-1.573	20	0		DAADRP
C[C@@H]([NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)C(=O)NC(N)=O	ZINC001420502770	926596780	/nfs/dbraw/zinc/59/67/80/926596780.db2.gz	CKWSTGICPJYZNM-VHSXEESVSA-N	2	0	311.386	-1.240	20	0		DAADRP
C[NH+]1CCC(OCC(=O)NC[C@]2(O)CC[N@H+](CCO)C2)CC1	ZINC001421377803	926678842	/nfs/dbraw/zinc/67/88/42/926678842.db2.gz	AVUIAVYXCUXIHV-OAHLLOKOSA-N	2	0	315.414	-1.358	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCn3cncn3)C2)C1	ZINC001421396457	926686735	/nfs/dbraw/zinc/68/67/35/926686735.db2.gz	ZLRTWSFQBCNAJR-UKRRQHHQSA-N	2	0	322.413	-1.217	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCn3cncn3)C2)C1	ZINC001421396453	926687622	/nfs/dbraw/zinc/68/76/22/926687622.db2.gz	ZLRTWSFQBCNAJR-HIFRSBDPSA-N	2	0	322.413	-1.217	20	0		DAADRP
CC[C@@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH2+]CC(N)=O	ZINC001421490107	926716701	/nfs/dbraw/zinc/71/67/01/926716701.db2.gz	NODGYRBXALLLCV-NEPJUHHUSA-N	2	0	300.403	-1.076	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001421801771	926757674	/nfs/dbraw/zinc/75/76/74/926757674.db2.gz	KRCMBHUPOSEGJO-VXGBXAGGSA-N	2	0	300.403	-1.110	20	0		DAADRP
C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)CCC[NH+](C)C	ZINC001421948339	926775832	/nfs/dbraw/zinc/77/58/32/926775832.db2.gz	RTHFPTMRIGOVKM-JTQLQIEISA-N	2	0	301.391	-1.040	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O	ZINC001421976692	926777240	/nfs/dbraw/zinc/77/72/40/926777240.db2.gz	ABXCQWAMWODRDR-SNVBAGLBSA-N	2	0	301.391	-1.042	20	0		DAADRP
CC[C@H](C(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1)[NH+](C)C	ZINC001421982962	926778673	/nfs/dbraw/zinc/77/86/73/926778673.db2.gz	FYHZHQLFWQEOPJ-RISCZKNCSA-N	2	0	300.403	-1.245	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O	ZINC001421976687	926779075	/nfs/dbraw/zinc/77/90/75/926779075.db2.gz	ABXCQWAMWODRDR-JTQLQIEISA-N	2	0	301.391	-1.042	20	0		DAADRP
C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]CC(N)=O)CC2)CC[N@@H+]1C	ZINC001422094616	926787627	/nfs/dbraw/zinc/78/76/27/926787627.db2.gz	UKUZLOPKWZRGRN-VXGBXAGGSA-N	2	0	312.414	-1.245	20	0		DAADRP
O=C(NC[C@H](O)C[NH2+][C@H]1CCCNC1=O)C12CCC[NH+]1CCC2	ZINC001422328867	926831421	/nfs/dbraw/zinc/83/14/21/926831421.db2.gz	NGTRBZGSOCHCIV-OLZOCXBDSA-N	2	0	324.425	-1.040	20	0		DAADRP
C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O	ZINC001422333091	926833438	/nfs/dbraw/zinc/83/34/38/926833438.db2.gz	AFEZEMPBAUXMTI-VXGBXAGGSA-N	2	0	312.414	-1.197	20	0		DAADRP
CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)C1=O	ZINC001422345366	926842116	/nfs/dbraw/zinc/84/21/16/926842116.db2.gz	JIPMLBGWBJJIGJ-RYUDHWBXSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[N@H+](CC(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O)CC(C)(C)C	ZINC001422362414	926852652	/nfs/dbraw/zinc/85/26/52/926852652.db2.gz	PEHQRMKCFPXRSZ-NEPJUHHUSA-N	2	0	314.430	-1.081	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O	ZINC001422379117	926856945	/nfs/dbraw/zinc/85/69/45/926856945.db2.gz	KHKNKYWJBSFOFA-NEPJUHHUSA-N	2	0	300.403	-1.327	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCC(C)CC1	ZINC001422391317	926859987	/nfs/dbraw/zinc/85/99/87/926859987.db2.gz	XSENILHZECWGDN-LBPRGKRZSA-N	2	0	300.403	-1.469	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1	ZINC001422404970	926867940	/nfs/dbraw/zinc/86/79/40/926867940.db2.gz	NKGQPRZOODDBEE-SNVBAGLBSA-N	2	0	315.374	-2.396	20	0		DAADRP
CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(=O)NC)[NH+](C)C	ZINC001422412958	926870198	/nfs/dbraw/zinc/87/01/98/926870198.db2.gz	VZMPHBUWAYLAJV-UWVGGRQHSA-N	2	0	317.390	-2.151	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCOCC1	ZINC001423258706	927000716	/nfs/dbraw/zinc/00/07/16/927000716.db2.gz	MHERFIMXSYGEBG-LBPRGKRZSA-N	2	0	316.402	-2.136	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCN1CCNC1=O	ZINC001423261040	927003401	/nfs/dbraw/zinc/00/34/01/927003401.db2.gz	JGXDJWJHWWPQMO-NWDGAFQWSA-N	2	0	313.402	-1.828	20	0		DAADRP
CN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001423301991	927021973	/nfs/dbraw/zinc/02/19/73/927021973.db2.gz	UVBWPCZMBHIWBA-VXGBXAGGSA-N	2	0	310.398	-1.620	20	0		DAADRP
CCCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001423299030	927023431	/nfs/dbraw/zinc/02/34/31/927023431.db2.gz	HAYYVOPITZYHBH-NWDGAFQWSA-N	2	0	300.403	-1.469	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1	ZINC001423306303	927024769	/nfs/dbraw/zinc/02/47/69/927024769.db2.gz	PCYXTWLXPNWLPV-SNVBAGLBSA-N	2	0	315.374	-2.396	20	0		DAADRP
C[NH+]1CCC(OCC(=O)NC[C@H](CO)[NH2+]CC(N)=O)CC1	ZINC001423312265	927030291	/nfs/dbraw/zinc/03/02/91/927030291.db2.gz	ZUJSATUYPBUWBU-SNVBAGLBSA-N	2	0	302.375	-2.351	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1	ZINC001423451627	927060709	/nfs/dbraw/zinc/06/07/09/927060709.db2.gz	IMGOLFQJKUTZIY-NWDGAFQWSA-N	2	0	314.430	-1.128	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)C1([NH+](C)C)CCC1	ZINC001423471431	927066013	/nfs/dbraw/zinc/06/60/13/927066013.db2.gz	VDBOXFXPIWQEGE-RYUDHWBXSA-N	2	0	312.414	-1.232	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001423478879	927071060	/nfs/dbraw/zinc/07/10/60/927071060.db2.gz	LERRGNKZFMTDDS-STQMWFEESA-N	2	0	324.425	-1.278	20	0		DAADRP
C[N@H+](CC(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O)C1CCC1	ZINC001424051002	927189570	/nfs/dbraw/zinc/18/95/70/927189570.db2.gz	RTXONWFMSQADHJ-CYBMUJFWSA-N	2	0	312.414	-1.230	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)C[NH+]1CCCC1	ZINC001424055183	927191237	/nfs/dbraw/zinc/19/12/37/927191237.db2.gz	UPLIHPCIMQQXJU-LBPRGKRZSA-N	2	0	300.403	-1.373	20	0		DAADRP
CC[NH+](CC)C[C@H](F)C(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1	ZINC001424222778	927208651	/nfs/dbraw/zinc/20/86/51/927208651.db2.gz	SYJVAOOVFFMDQR-NEPJUHHUSA-N	2	0	318.393	-1.031	20	0		DAADRP
CC[NH+](CC)C[C@@H](F)C(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1	ZINC001424222782	927209638	/nfs/dbraw/zinc/20/96/38/927209638.db2.gz	SYJVAOOVFFMDQR-NWDGAFQWSA-N	2	0	318.393	-1.031	20	0		DAADRP
C[C@@H]([NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1)C(N)=O	ZINC001424238820	927209997	/nfs/dbraw/zinc/20/99/97/927209997.db2.gz	NFAIDTWUEZJOIV-NEPJUHHUSA-N	2	0	310.398	-1.227	20	0		DAADRP
C[C@H]([NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1)C(N)=O	ZINC001424238823	927210915	/nfs/dbraw/zinc/21/09/15/927210915.db2.gz	NFAIDTWUEZJOIV-RYUDHWBXSA-N	2	0	310.398	-1.227	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001425388558	927344747	/nfs/dbraw/zinc/34/47/47/927344747.db2.gz	CWDJCDDYDUHNIO-RYUDHWBXSA-N	2	0	300.403	-1.517	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC001425427839	927356544	/nfs/dbraw/zinc/35/65/44/927356544.db2.gz	ZSOKATBYIKRDDS-XYPYZODXSA-N	2	0	323.397	-1.239	20	0		DAADRP
CNC(=O)C[NH2+][C@@H](CO)CNC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001425766510	927435649	/nfs/dbraw/zinc/43/56/49/927435649.db2.gz	QQVLHLAILAVTQK-NEPJUHHUSA-N	2	0	300.403	-1.327	20	0		DAADRP
O=C(CCC[NH+]1CCCC1)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O	ZINC001425840328	927470581	/nfs/dbraw/zinc/47/05/81/927470581.db2.gz	LSGBTLSOKNCLJG-CHWSQXEVSA-N	2	0	312.414	-1.182	20	0		DAADRP
O=C(C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)NC1CC1	ZINC001425836705	927471906	/nfs/dbraw/zinc/47/19/06/927471906.db2.gz	PIWPGBNODBIEGX-GFCCVEGCSA-N	2	0	310.398	-1.573	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](CO)[NH2+]CC(N)=O	ZINC001425854422	927479299	/nfs/dbraw/zinc/47/92/99/927479299.db2.gz	NTNASFFOMZDIBE-WDEREUQCSA-N	2	0	302.375	-2.493	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)CC[NH+](C)C	ZINC001426021928	927508795	/nfs/dbraw/zinc/50/87/95/927508795.db2.gz	FZQHLWYORYLDFE-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)CC[NH+](C)C	ZINC001426021946	927508967	/nfs/dbraw/zinc/50/89/67/927508967.db2.gz	FZQHLWYORYLDFE-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
CN(C[C@H](O)C[NH2+]Cc1cnnn1C)C(=O)C12CC[NH+](CC1)C2	ZINC001426033619	927510658	/nfs/dbraw/zinc/51/06/58/927510658.db2.gz	UKMAMDHQZIPMMG-CYBMUJFWSA-N	2	0	322.413	-1.180	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1	ZINC001426057665	927518626	/nfs/dbraw/zinc/51/86/26/927518626.db2.gz	UKDZALMPGGTJBV-ZDUSSCGKSA-N	2	0	314.430	-1.031	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)N2CC([NH2+][C@H]3CCOC3)C2)CC1=O	ZINC001434384453	928344608	/nfs/dbraw/zinc/34/46/08/928344608.db2.gz	COBANMUCSRNKBZ-STQMWFEESA-N	2	0	324.425	-1.014	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1	ZINC001437308657	928444539	/nfs/dbraw/zinc/44/45/39/928444539.db2.gz	GUNPGETZXPVORO-GHMZBOCLSA-N	2	0	311.386	-1.286	20	0		DAADRP
CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1)[NH+](C)C	ZINC001437722324	928474227	/nfs/dbraw/zinc/47/42/27/928474227.db2.gz	BBDRTYXTCRCHNO-MNOVXSKESA-N	2	0	313.402	-1.040	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1	ZINC001437745774	928476444	/nfs/dbraw/zinc/47/64/44/928476444.db2.gz	UXSSEPAIIFQAPC-QWHCGFSZSA-N	2	0	312.414	-1.122	20	0		DAADRP
C[C@@H]([NH2+]CCN(C)C(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O	ZINC001437835896	928482119	/nfs/dbraw/zinc/48/21/19/928482119.db2.gz	QPWUPCVLEQCEML-LLVKDONJSA-N	2	0	310.402	-1.020	20	0		DAADRP
O=C(C[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+]1CCC2)NC1CC1	ZINC001439002161	928569880	/nfs/dbraw/zinc/56/98/80/928569880.db2.gz	OCBZHCZYYHICBK-ZDUSSCGKSA-N	2	0	324.425	-1.040	20	0		DAADRP
C[C@H]([NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C	ZINC001439025957	928583152	/nfs/dbraw/zinc/58/31/52/928583152.db2.gz	MJXUDTFOPVAARV-WCQYABFASA-N	2	0	314.430	-1.128	20	0		DAADRP
CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001439043025	928588336	/nfs/dbraw/zinc/58/83/36/928588336.db2.gz	CNUCGCOGSJZKKI-STQMWFEESA-N	2	0	324.425	-1.230	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC2CC2)C1	ZINC001439050578	928594193	/nfs/dbraw/zinc/59/41/93/928594193.db2.gz	ZSSCNEXVMFMJCD-OLZOCXBDSA-N	2	0	312.414	-1.469	20	0		DAADRP
CN1CC[C@@H]([N@@H+]2CC[C@](O)(CNC(=O)C[NH+]3CCCC3)C2)C1=O	ZINC001440023577	928670662	/nfs/dbraw/zinc/67/06/62/928670662.db2.gz	NFEHGKMVUHKATK-CJNGLKHVSA-N	2	0	324.425	-1.134	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)N(CCO)CC[NH2+][C@H]2CCNC2=O)C1	ZINC001440206999	928706963	/nfs/dbraw/zinc/70/69/63/928706963.db2.gz	PTYCMVGJKSMIRH-OLZOCXBDSA-N	2	0	312.414	-1.373	20	0		DAADRP
CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001440592860	928732746	/nfs/dbraw/zinc/73/27/46/928732746.db2.gz	AYKPLCVFEMONKD-MNOVXSKESA-N	2	0	313.402	-1.040	20	0		DAADRP
C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1	ZINC001441506281	928793499	/nfs/dbraw/zinc/79/34/99/928793499.db2.gz	RHBBOTHPFNTRAO-PHIMTYICSA-N	2	0	311.386	-1.240	20	0		DAADRP
CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(N)=O	ZINC001441626801	928804052	/nfs/dbraw/zinc/80/40/52/928804052.db2.gz	OUYZYCULMGAMQD-JTQLQIEISA-N	2	0	301.391	-1.040	20	0		DAADRP
CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001441696803	928817701	/nfs/dbraw/zinc/81/77/01/928817701.db2.gz	NIGWAWDYPVPQLN-RWMBFGLXSA-N	2	0	314.430	-1.081	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O)CC[N@@H+]1C	ZINC001441698509	928821008	/nfs/dbraw/zinc/82/10/08/928821008.db2.gz	UCZPRPSJEMPDPE-GRYCIOLGSA-N	2	0	321.443	-1.562	20	0		DAADRP
C[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CCn2cncn2)CC1	ZINC001441745347	928849880	/nfs/dbraw/zinc/84/98/80/928849880.db2.gz	NFYPLMWZIIDYKW-CYBMUJFWSA-N	2	0	310.402	-1.313	20	0		DAADRP
C[C@H]([NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C	ZINC001441748915	928851577	/nfs/dbraw/zinc/85/15/77/928851577.db2.gz	RZSYAEZCFPOIAC-WCQYABFASA-N	2	0	314.430	-1.128	20	0		DAADRP
C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)COC1CC[NH+](C)CC1	ZINC001441769152	928858157	/nfs/dbraw/zinc/85/81/57/928858157.db2.gz	QECHHTGDRGTNFR-NWDGAFQWSA-N	2	0	303.403	-1.455	20	0		DAADRP
Cc1nc(C)n(CC[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1	ZINC001441787910	928866336	/nfs/dbraw/zinc/86/63/36/928866336.db2.gz	GNWJLFLPPXXETC-KGLIPLIRSA-N	2	0	324.429	-1.087	20	0		DAADRP
Cc1nc(C)n(CC[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1	ZINC001441787919	928867990	/nfs/dbraw/zinc/86/79/90/928867990.db2.gz	GNWJLFLPPXXETC-UONOGXRCSA-N	2	0	324.429	-1.087	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001442026902	928911517	/nfs/dbraw/zinc/91/15/17/928911517.db2.gz	DJXGRGJHMVGCMS-VHSXEESVSA-N	2	0	315.374	-2.458	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC(N)=O	ZINC001442033888	928913946	/nfs/dbraw/zinc/91/39/46/928913946.db2.gz	MPUGZDUIACPZTE-SNVBAGLBSA-N	2	0	317.390	-2.070	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1	ZINC001442120102	928931427	/nfs/dbraw/zinc/93/14/27/928931427.db2.gz	GUNPGETZXPVORO-QWRGUYRKSA-N	2	0	311.386	-1.286	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001442147336	928932109	/nfs/dbraw/zinc/93/21/09/928932109.db2.gz	FZOZMPWIYGFXTH-NSHDSACASA-N	2	0	323.397	-1.285	20	0		DAADRP
C[C@H]([NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O	ZINC001443097111	928992334	/nfs/dbraw/zinc/99/23/34/928992334.db2.gz	HBQNWVCOPVAFBS-WDEREUQCSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001444727637	929150317	/nfs/dbraw/zinc/15/03/17/929150317.db2.gz	NPGHQYCGSDTFEW-QWRGUYRKSA-N	2	0	310.402	-1.003	20	0		DAADRP
CN(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1	ZINC001445158642	929172072	/nfs/dbraw/zinc/17/20/72/929172072.db2.gz	OSYBEUYSAAYJNO-STQMWFEESA-N	2	0	312.414	-1.232	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1	ZINC001445162869	929173383	/nfs/dbraw/zinc/17/33/83/929173383.db2.gz	SUHYKMPDHQBATD-STQMWFEESA-N	2	0	312.414	-1.230	20	0		DAADRP
Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C	ZINC001445216638	929189138	/nfs/dbraw/zinc/18/91/38/929189138.db2.gz	VEZBZUTYGHOJMP-QWHCGFSZSA-N	2	0	310.402	-1.134	20	0		DAADRP
Cn1[nH]c(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)nc1=O	ZINC001445268720	929206353	/nfs/dbraw/zinc/20/63/53/929206353.db2.gz	KDZFIGKDWQRVND-UWVGGRQHSA-N	2	0	312.374	-2.373	20	0		DAADRP
Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1=O	ZINC001445267194	929207880	/nfs/dbraw/zinc/20/78/80/929207880.db2.gz	ISKIWPYWTHLXJU-ZIAGYGMSSA-N	2	0	322.409	-1.096	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1	ZINC001445268901	929207950	/nfs/dbraw/zinc/20/79/50/929207950.db2.gz	LFNBBTKXJBONAD-CYBMUJFWSA-N	2	0	312.414	-1.229	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1	ZINC001445270139	929208157	/nfs/dbraw/zinc/20/81/57/929208157.db2.gz	PGRNGXDHHWQNBI-GFCCVEGCSA-N	2	0	300.403	-1.374	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001445278027	929212222	/nfs/dbraw/zinc/21/22/22/929212222.db2.gz	WZQIIKYRVKHIKW-VXGBXAGGSA-N	2	0	300.403	-1.517	20	0		DAADRP
CC[C@@H](C(=O)NC[C@]1(O)CC[N@H+](C[C@@H](O)COC)C1)[NH+](C)C	ZINC001446790195	929324307	/nfs/dbraw/zinc/32/43/07/929324307.db2.gz	WYOLADNTPZJCPR-VNHYZAJKSA-N	2	0	317.430	-1.113	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001447056647	929367719	/nfs/dbraw/zinc/36/77/19/929367719.db2.gz	BXLGRICHUMTOEG-OLZOCXBDSA-N	2	0	314.430	-1.127	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1	ZINC001447294478	929382752	/nfs/dbraw/zinc/38/27/52/929382752.db2.gz	AHQNYOZIQPDPEH-QWHCGFSZSA-N	2	0	312.414	-1.109	20	0		DAADRP
C[NH+](C)C1(C(=O)N2CCC[C@](CO)([NH2+]CC(N)=O)C2)CCC1	ZINC001447450507	929393408	/nfs/dbraw/zinc/39/34/08/929393408.db2.gz	PGVPIDRRMTVDOO-AWEZNQCLSA-N	2	0	312.414	-1.101	20	0		DAADRP
CNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001448461746	929455447	/nfs/dbraw/zinc/45/54/47/929455447.db2.gz	ROOLADHEMIVYFM-VXGBXAGGSA-N	2	0	300.403	-1.110	20	0		DAADRP
C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)NC(N)=O	ZINC001448742582	929469599	/nfs/dbraw/zinc/46/95/99/929469599.db2.gz	XLFNLTRIUGSAMZ-SNVBAGLBSA-N	2	0	313.402	-1.040	20	0		DAADRP
CCCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1	ZINC001448887651	929506230	/nfs/dbraw/zinc/50/62/30/929506230.db2.gz	KHAXAAJTJGYVPK-CYBMUJFWSA-N	2	0	314.430	-1.079	20	0		DAADRP
CN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C2(C[NH+](C)C)CC2)C1=O	ZINC001448895780	929510384	/nfs/dbraw/zinc/51/03/84/929510384.db2.gz	MHXBTVFYBOYBLA-VXGBXAGGSA-N	2	0	312.414	-1.374	20	0		DAADRP
C[C@H]([NH2+][C@@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C)C(N)=O	ZINC001448913147	929514100	/nfs/dbraw/zinc/51/41/00/929514100.db2.gz	VMLUCLWQGKQLBT-WDEREUQCSA-N	2	0	302.419	-1.095	20	0		DAADRP
C[C@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1)C(=O)N(C)C	ZINC001448960776	929527063	/nfs/dbraw/zinc/52/70/63/929527063.db2.gz	XONOVXPIQUFYSI-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C)C(=O)N(C)C	ZINC001449148417	929553035	/nfs/dbraw/zinc/55/30/35/929553035.db2.gz	TVZNXBUPEKXMJQ-NEPJUHHUSA-N	2	0	302.419	-1.176	20	0		DAADRP
Cc1nc[nH]c1CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C	ZINC001449167045	929559020	/nfs/dbraw/zinc/55/90/20/929559020.db2.gz	BGJHGLKFEZUDHP-LLVKDONJSA-N	2	0	311.386	-1.242	20	0		DAADRP
CCC[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCNC1=O	ZINC001449166438	929559199	/nfs/dbraw/zinc/55/91/99/929559199.db2.gz	XACOCFJNGQWVDV-RYUDHWBXSA-N	2	0	300.403	-1.374	20	0		DAADRP
CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]CC(=O)NC(N)=O)C1	ZINC001449397372	929584537	/nfs/dbraw/zinc/58/45/37/929584537.db2.gz	CCCFGYNULFRFSA-UHFFFAOYSA-N	2	0	323.397	-1.144	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)N2NC(=O)C[C@]23CC[NH2+]C3)CC1=O	ZINC001548578751	930030532	/nfs/dbraw/zinc/03/05/32/930030532.db2.gz	MDALBMITDYEIOC-ABAIWWIYSA-N	2	0	323.397	-1.608	20	0		DAADRP
O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1	ZINC001549045067	930046547	/nfs/dbraw/zinc/04/65/47/930046547.db2.gz	SQTDUKRCKWHBLX-UPJWGTAASA-N	2	0	310.398	-1.166	20	0		DAADRP
CC(C)[C@@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC001549045542	930047282	/nfs/dbraw/zinc/04/72/82/930047282.db2.gz	CWOZEKQUXYMFPM-TZMCWYRMSA-N	2	0	311.430	-1.408	20	0		DAADRP
Cn1cc([C@@H]2CN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)C[C@H]2[NH3+])cn1	ZINC001549049640	930050968	/nfs/dbraw/zinc/05/09/68/930050968.db2.gz	FEDBRPIKXOYBGF-YNEHKIRRSA-N	2	0	320.397	-1.459	20	0		DAADRP
CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1	ZINC001549050346	930051111	/nfs/dbraw/zinc/05/11/11/930051111.db2.gz	LGPXTECQGICXNU-DYEKYZERSA-N	2	0	322.413	-1.227	20	0		DAADRP
O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@@H]1C[NH2+]CCOC1	ZINC001549741782	930058724	/nfs/dbraw/zinc/05/87/24/930058724.db2.gz	UIKQPTZSXKXKDI-IPYPFGDCSA-N	2	0	324.425	-1.015	20	0		DAADRP
Cn1cnc([C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)C[C@H]2[NH3+])c1	ZINC001549733559	930058853	/nfs/dbraw/zinc/05/88/53/930058853.db2.gz	AXWFQHHTYQGSBI-BLTAXRJOSA-N	2	0	305.382	-1.091	20	0		DAADRP
O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@H]1C[NH2+]CCO1	ZINC001549728030	930059588	/nfs/dbraw/zinc/05/95/88/930059588.db2.gz	GIVMHMZOYGNNOR-SCRDCRAPSA-N	2	0	310.398	-1.262	20	0		DAADRP
O=C(CN1CC[NH2+]CC1)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1	ZINC001549729824	930059751	/nfs/dbraw/zinc/05/97/51/930059751.db2.gz	CWOODBFPBISHHJ-XJKSGUPXSA-N	2	0	323.441	-1.345	20	0		DAADRP
CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3C[NH2+]CCO3)CC2)C1=O	ZINC001550093169	930060591	/nfs/dbraw/zinc/06/05/91/930060591.db2.gz	YZFDKGKIVXXKBW-CHWSQXEVSA-N	2	0	310.398	-1.214	20	0		DAADRP
CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3OCC[C@@H]3[NH3+])CC2)C1=O	ZINC001550092501	930060934	/nfs/dbraw/zinc/06/09/34/930060934.db2.gz	HCVLVCLLLUNCEV-RWMBFGLXSA-N	2	0	310.398	-1.086	20	0		DAADRP
CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3C[NH2+]CCO3)CC2)C1=O	ZINC001550093171	930061593	/nfs/dbraw/zinc/06/15/93/930061593.db2.gz	YZFDKGKIVXXKBW-QWHCGFSZSA-N	2	0	310.398	-1.214	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N(C)[C@H]2CC[NH2+]C2)nn1	ZINC001552160866	930068572	/nfs/dbraw/zinc/06/85/72/930068572.db2.gz	LCGCXHGVMSUKSR-DMDPSCGWSA-N	2	0	308.386	-1.200	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[C@H]([NH3+])[C@H]2C)nn1	ZINC001552088576	930068776	/nfs/dbraw/zinc/06/87/76/930068776.db2.gz	UZMXHFNRGULIJW-HNCHTBHHSA-N	2	0	308.386	-1.072	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N(C)[C@@H]2CC[NH2+]C2)nn1	ZINC001552160869	930068826	/nfs/dbraw/zinc/06/88/26/930068826.db2.gz	LCGCXHGVMSUKSR-NTZNESFSSA-N	2	0	308.386	-1.200	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC[C@H]2C[NH3+])nn1	ZINC001552161491	930069536	/nfs/dbraw/zinc/06/95/36/930069536.db2.gz	PFNGEQKZIDQZEJ-DMDPSCGWSA-N	2	0	308.386	-1.070	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)NCC2([NH3+])CCC2)nn1	ZINC001552161265	930069719	/nfs/dbraw/zinc/06/97/19/930069719.db2.gz	LGCNINQPVKAQFM-CMPLNLGQSA-N	2	0	308.386	-1.023	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[NH2+][C@@H](C)C2)nn1	ZINC001552163054	930070758	/nfs/dbraw/zinc/07/07/58/930070758.db2.gz	SNYOXFRXPZJVDJ-DMDPSCGWSA-N	2	0	308.386	-1.200	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC[C@@H]2C[NH3+])nn1	ZINC001552161496	930070917	/nfs/dbraw/zinc/07/09/17/930070917.db2.gz	PFNGEQKZIDQZEJ-NQBHXWOUSA-N	2	0	308.386	-1.070	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCC[C@@H]2C[NH3+])nn1	ZINC001552161498	930071108	/nfs/dbraw/zinc/07/11/08/930071108.db2.gz	PFNGEQKZIDQZEJ-NTZNESFSSA-N	2	0	308.386	-1.070	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N[C@]2(C)CC[NH2+]C2)nn1	ZINC001552257969	930072313	/nfs/dbraw/zinc/07/23/13/930072313.db2.gz	PQCUMMVGRDGUDE-ZKYQVNSYSA-N	2	0	308.386	-1.152	20	0		DAADRP
CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1	ZINC001552258523	930072674	/nfs/dbraw/zinc/07/26/74/930072674.db2.gz	TZUDQILQWBIUFV-OPDFLTKYSA-N	2	0	320.397	-1.057	20	0		DAADRP
O=C(NCCN1CC[NH2+]CC1)N[C@H]1C[NH2+]CC12CCOCC2	ZINC001553493182	930076122	/nfs/dbraw/zinc/07/61/22/930076122.db2.gz	TXFDPEIMJNKWFD-ZDUSSCGKSA-N	2	0	311.430	-1.041	20	0		DAADRP
[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1	ZINC001553401078	930076703	/nfs/dbraw/zinc/07/67/03/930076703.db2.gz	FKXLPVQULLRUNS-NDBYEHHHSA-N	2	0	310.398	-1.181	20	0		DAADRP
[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1	ZINC001553401052	930077472	/nfs/dbraw/zinc/07/74/72/930077472.db2.gz	FKXLPVQULLRUNS-FVCCEPFGSA-N	2	0	310.398	-1.181	20	0		DAADRP
CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1	ZINC000430631664	545697710	/nfs/dbraw/zinc/69/77/10/545697710.db2.gz	VKCVSHDFTNPHQG-NSHDSACASA-N	2	0	306.432	-1.287	20	0		DAADRP
CNc1nc(N[C@H](C)C[NH+](C)C)nc(N[C@@H](C)C[NH+](C)C)n1	ZINC000343807438	545706659	/nfs/dbraw/zinc/70/66/59/545706659.db2.gz	OFKKWZXIRFGYSK-PHIMTYICSA-N	2	0	310.450	-1.097	20	0		DAADRP
COCCCNC(=O)C[N@H+](C)CCC(=O)N1CC[NH2+]CC1	ZINC000351478317	545719931	/nfs/dbraw/zinc/71/99/31/545719931.db2.gz	XVGVSFCPFSGYKZ-UHFFFAOYSA-N	2	0	300.403	-1.107	20	0		DAADRP
CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1	ZINC000236840759	202034484	/nfs/dbraw/zinc/03/44/84/202034484.db2.gz	QPXDLHWJQIUGLW-QWHCGFSZSA-N	2	0	312.414	-1.278	20	0		DAADRP
C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1	ZINC000332177278	545731452	/nfs/dbraw/zinc/73/14/52/545731452.db2.gz	UNBSZZOMEDOLEU-AGIUHOORSA-N	2	0	310.398	-1.214	20	0		DAADRP
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])C1	ZINC000418926951	545766048	/nfs/dbraw/zinc/76/60/48/545766048.db2.gz	SDNPRSJANZCFBE-VXGBXAGGSA-N	2	0	300.403	-1.077	20	0		DAADRP
C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N(CC[NH3+])CCO)C1	ZINC000419418236	545767602	/nfs/dbraw/zinc/76/76/02/545767602.db2.gz	YAOLIHDNRYPSFS-LBPRGKRZSA-N	2	0	300.403	-1.386	20	0		DAADRP
C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(CC[NH3+])CCO	ZINC000419421488	545767905	/nfs/dbraw/zinc/76/79/05/545767905.db2.gz	LJMBPSUVVDYRFW-LBPRGKRZSA-N	2	0	300.403	-1.243	20	0		DAADRP
CC[N@H+](CCNC(=O)C(=O)NCCN1CC[NH2+]CC1)C1CC1	ZINC000419520932	545768266	/nfs/dbraw/zinc/76/82/66/545768266.db2.gz	IYDNQZFZLYRWRS-UHFFFAOYSA-N	2	0	311.430	-1.392	20	0		DAADRP
CC[N@H+](CCNC(=O)C(=O)NCCN1CC[NH2+]CC1)C(C)C	ZINC000419868997	545768647	/nfs/dbraw/zinc/76/86/47/545768647.db2.gz	CLWZWUGXBCBPSE-UHFFFAOYSA-N	2	0	313.446	-1.146	20	0		DAADRP
CN(C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)[C@H]1C[NH2+]C[C@@H]1O	ZINC000643591790	372769044	/nfs/dbraw/zinc/76/90/44/372769044.db2.gz	LCENIHVJSPAEOZ-XEZPLFJOSA-N	2	0	324.425	-1.278	20	0		DAADRP
CN1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)[C@@H](C[NH3+])C1	ZINC000643577005	372769635	/nfs/dbraw/zinc/76/96/35/372769635.db2.gz	YKLJDMHSRADWCP-KGLIPLIRSA-N	2	0	323.441	-1.216	20	0		DAADRP
CN1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)[C@H](C[NH3+])C1	ZINC000643577006	372769684	/nfs/dbraw/zinc/76/96/84/372769684.db2.gz	YKLJDMHSRADWCP-UONOGXRCSA-N	2	0	323.441	-1.216	20	0		DAADRP
CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CCN1CCO	ZINC000643591069	372769962	/nfs/dbraw/zinc/76/99/62/372769962.db2.gz	CDHVDGDCDKPYTP-GFCCVEGCSA-N	2	0	312.414	-1.149	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@@H](C(N)=O)O1	ZINC000584012745	372781059	/nfs/dbraw/zinc/78/10/59/372781059.db2.gz	ZDLSRODMUUEPEH-RYUDHWBXSA-N	2	0	300.403	-1.029	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1	ZINC000584012744	372782272	/nfs/dbraw/zinc/78/22/72/372782272.db2.gz	ZDLSRODMUUEPEH-NWDGAFQWSA-N	2	0	300.403	-1.029	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1	ZINC000642724551	372786855	/nfs/dbraw/zinc/78/68/55/372786855.db2.gz	VNSVBMYJBAVBDA-LBPRGKRZSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[N@H+](C)C1CC1	ZINC000642773399	372799918	/nfs/dbraw/zinc/79/99/18/372799918.db2.gz	WDTWLYQVFHRAMG-DGCLKSJQSA-N	2	0	311.430	-1.313	20	0		DAADRP
CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)[C@H](C[NH3+])C1	ZINC000642785677	372807913	/nfs/dbraw/zinc/80/79/13/372807913.db2.gz	CRMXVKJDJANNPW-ZIAGYGMSSA-N	2	0	323.441	-1.312	20	0		DAADRP
C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)[C@H](C)C1	ZINC000557241989	372812297	/nfs/dbraw/zinc/81/22/97/372812297.db2.gz	TVYGPABVITXYCT-HZSPNIEDSA-N	2	0	313.446	-1.014	20	0		DAADRP
COCC[N@@H+]1CC[C@@H](NS(=O)(=O)C[C@@H]2CN(C)CCO2)C1	ZINC000632254866	372836794	/nfs/dbraw/zinc/83/67/94/372836794.db2.gz	BAONJNMLPPAICM-OLZOCXBDSA-N	2	0	321.443	-1.043	20	0		DAADRP
CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)[C@@H](C[NH3+])C1	ZINC000583434833	372866445	/nfs/dbraw/zinc/86/64/45/372866445.db2.gz	FSPMACRUXZSQOI-BBRMVZONSA-N	2	0	323.441	-1.358	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+]	ZINC000561256494	372869766	/nfs/dbraw/zinc/86/97/66/372869766.db2.gz	ZUJUATBHGKOEEM-GFCCVEGCSA-N	2	0	315.418	-2.218	20	0		DAADRP
C[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C1CC1	ZINC000569624901	372872671	/nfs/dbraw/zinc/87/26/71/372872671.db2.gz	AEBNBQPLBGUXSC-NEPJUHHUSA-N	2	0	323.397	-2.033	20	0		DAADRP
C[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C1CC1	ZINC000569624908	372872958	/nfs/dbraw/zinc/87/29/58/372872958.db2.gz	AEBNBQPLBGUXSC-RYUDHWBXSA-N	2	0	323.397	-2.033	20	0		DAADRP
[NH3+][C@H]1C[C@H]2CN(C(=O)NCCCN3CC[NH2+]CC3)CCN2C1=O	ZINC000566689325	372874927	/nfs/dbraw/zinc/87/49/27/372874927.db2.gz	MXFWRNDKTKYJIU-STQMWFEESA-N	2	0	324.429	-1.765	20	0		DAADRP
COCC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000237306853	372859748	/nfs/dbraw/zinc/85/97/48/372859748.db2.gz	IVLJKRDNKFCLCC-GFCCVEGCSA-N	2	0	300.403	-1.251	20	0		DAADRP
[NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@H]3C[NH2+]CCC3(F)F)CCN2C1=O	ZINC000565249782	372917244	/nfs/dbraw/zinc/91/72/44/372917244.db2.gz	IHKTZFYXUHBYKV-BBBLOLIVSA-N	2	0	317.340	-1.063	20	0		DAADRP
C[C@H](C(=O)NCC1(NC(=O)[C@@H](C)[NH+](C)C)COC1)[NH+](C)C	ZINC000636308034	372918347	/nfs/dbraw/zinc/91/83/47/372918347.db2.gz	UYCLQNYADYONNE-GHMZBOCLSA-N	2	0	300.403	-1.112	20	0		DAADRP
C[NH+](C)CCCS(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1	ZINC000601343417	372940159	/nfs/dbraw/zinc/94/01/59/372940159.db2.gz	NMMHPXBXFBYEIT-WDEREUQCSA-N	2	0	304.416	-1.488	20	0		DAADRP
C[NH+](C)CCCS(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1	ZINC000601343415	372941907	/nfs/dbraw/zinc/94/19/07/372941907.db2.gz	NMMHPXBXFBYEIT-MNOVXSKESA-N	2	0	304.416	-1.488	20	0		DAADRP
COC(=O)CN(C)C(=O)CC[N@H+](C)CCN1CC[NH2+]CC1	ZINC000592471998	372971815	/nfs/dbraw/zinc/97/18/15/372971815.db2.gz	CFTQYROMNFDGOB-UHFFFAOYSA-N	2	0	300.403	-1.155	20	0		DAADRP
CC(C)(C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)N1CC[NH2+]CC1	ZINC000594873829	372995718	/nfs/dbraw/zinc/99/57/18/372995718.db2.gz	LHWORBACJDUDNQ-RYUDHWBXSA-N	2	0	309.414	-1.559	20	0		DAADRP
[NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)CCN2C1=O	ZINC000602531996	373063118	/nfs/dbraw/zinc/06/31/18/373063118.db2.gz	YZADKSNDTOFVJF-UMSGYPCISA-N	2	0	308.382	-1.380	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1=O	ZINC000567982295	373123146	/nfs/dbraw/zinc/12/31/46/373123146.db2.gz	UKMVEHSCFGKVBR-STQMWFEESA-N	2	0	312.414	-1.109	20	0		DAADRP
CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C	ZINC000339580078	373128798	/nfs/dbraw/zinc/12/87/98/373128798.db2.gz	DQVRWOOCTCPBFQ-CYBMUJFWSA-N	2	0	313.446	-1.194	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)[C@H]2C1	ZINC000627470063	373137433	/nfs/dbraw/zinc/13/74/33/373137433.db2.gz	KYMLUUHALDPQLJ-UPJWGTAASA-N	2	0	310.398	-1.356	20	0		DAADRP
C[C@H](CC[NH3+])NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000563661563	373139705	/nfs/dbraw/zinc/13/97/05/373139705.db2.gz	ZYOAMUCSZIKPRM-GFCCVEGCSA-N	3	0	301.435	-1.208	20	0		DAADRP
[NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CN1CC[NH2+]CC1	ZINC000638209098	373212169	/nfs/dbraw/zinc/21/21/69/373212169.db2.gz	IPQLMHDHYNEWQR-CYBMUJFWSA-N	2	0	311.430	-1.262	20	0		DAADRP
O=C([C@@H]1C[NH2+]CCO1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000638476450	373222476	/nfs/dbraw/zinc/22/24/76/373222476.db2.gz	HYIUMZCKJQVATE-LBPRGKRZSA-N	2	0	311.386	-1.856	20	0		DAADRP
O[C@@H]1C[NH+](Cc2cccc(C[N@H+]3C[C@@H](O)[C@@H](O)C3)c2)C[C@H]1O	ZINC000278628828	373187446	/nfs/dbraw/zinc/18/74/46/373187446.db2.gz	GHISCPQVHGOBRV-FPCVCCKLSA-N	2	0	308.378	-1.239	20	0		DAADRP
O=C(CN1CC[NH2+]CC1)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000638099316	373208337	/nfs/dbraw/zinc/20/83/37/373208337.db2.gz	SQDQNGHETUNREZ-UHFFFAOYSA-N	2	0	323.441	-1.342	20	0		DAADRP
C[NH2+]CCOCCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000638577645	373232629	/nfs/dbraw/zinc/23/26/29/373232629.db2.gz	BKFZUAJQUBIHBQ-LBPRGKRZSA-N	2	0	300.403	-1.251	20	0		DAADRP
[NH3+]CCCOCCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000627489567	373249889	/nfs/dbraw/zinc/24/98/89/373249889.db2.gz	FYUAMEYRZAHLND-NWDGAFQWSA-N	2	0	314.386	-2.255	20	0		DAADRP
CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+]	ZINC000571985907	373328734	/nfs/dbraw/zinc/32/87/34/373328734.db2.gz	LFWPQMNGUKYBFG-STQMWFEESA-N	2	0	313.446	-1.066	20	0		DAADRP
COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C1	ZINC000627386679	373316987	/nfs/dbraw/zinc/31/69/87/373316987.db2.gz	UZADZJRBYYHJRH-GFCCVEGCSA-N	2	0	316.402	-1.743	20	0		DAADRP
NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[NH+]2CCN1CCC2	ZINC000628584845	373374222	/nfs/dbraw/zinc/37/42/22/373374222.db2.gz	MATXCLKJRLTJLO-KBPBESRZSA-N	2	0	323.441	-1.168	20	0		DAADRP
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C1	ZINC000643513666	373374305	/nfs/dbraw/zinc/37/43/05/373374305.db2.gz	XGTPOEGZOVYZFR-CQSZACIVSA-N	2	0	323.441	-1.343	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1	ZINC000423744863	373349522	/nfs/dbraw/zinc/34/95/22/373349522.db2.gz	OSRIVCZMAAQUCO-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1	ZINC000629819324	373414260	/nfs/dbraw/zinc/41/42/60/373414260.db2.gz	JYGOWKCOEYOZJW-HNNXBMFYSA-N	2	0	312.414	-1.026	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1=O	ZINC000629173956	373385120	/nfs/dbraw/zinc/38/51/20/373385120.db2.gz	LLISRGCUCCIGHN-QWHCGFSZSA-N	2	0	312.414	-1.421	20	0		DAADRP
CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+]	ZINC000642114155	373437329	/nfs/dbraw/zinc/43/73/29/373437329.db2.gz	GQYBLMQTELEUSP-STQMWFEESA-N	2	0	313.446	-1.066	20	0		DAADRP
CC[N@H+](CCO)CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000183967762	373446104	/nfs/dbraw/zinc/44/61/04/373446104.db2.gz	OVDXEJFGIIADHR-ZDUSSCGKSA-N	2	0	314.430	-1.173	20	0		DAADRP
[NH3+]CCCOCCNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1	ZINC000627219296	373461922	/nfs/dbraw/zinc/46/19/22/373461922.db2.gz	ULGXGEFHHBJCEE-GFCCVEGCSA-N	2	0	315.418	-1.152	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C[NH3+])C1CC1	ZINC000565411774	373521949	/nfs/dbraw/zinc/52/19/49/373521949.db2.gz	DCRSQEACYKPLOL-CYBMUJFWSA-N	3	0	313.446	-1.208	20	0		DAADRP
COC[C@]1(CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CCC[NH2+]1	ZINC000566251697	373528245	/nfs/dbraw/zinc/52/82/45/373528245.db2.gz	WCVYUZVOVGKIAG-GXTWGEPZSA-N	2	0	300.403	-1.029	20	0		DAADRP
[NH3+][C@@H]1C[C@@H]2CN(C(=O)NCCCN3CC[NH2+]CC3)CCN2C1=O	ZINC000566689250	373530935	/nfs/dbraw/zinc/53/09/35/373530935.db2.gz	MXFWRNDKTKYJIU-CHWSQXEVSA-N	2	0	324.429	-1.765	20	0		DAADRP
C[C@H](C[NH3+])CNC(=O)C[C@@]1(C(=O)NC[C@@H](C)C[NH3+])CC[NH2+]C1	ZINC000578750631	373584141	/nfs/dbraw/zinc/58/41/41/373584141.db2.gz	UQTFIMNUCFHLIO-XUJVJEKNSA-N	3	0	313.446	-1.222	20	0		DAADRP
C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)C[C@H]1C	ZINC000579091442	373586406	/nfs/dbraw/zinc/58/64/06/373586406.db2.gz	VQCOYLIIHAFZDI-HZSPNIEDSA-N	2	0	313.446	-1.014	20	0		DAADRP
C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)C[C@@H]1C	ZINC000579091450	373586735	/nfs/dbraw/zinc/58/67/35/373586735.db2.gz	VQCOYLIIHAFZDI-MELADBBJSA-N	2	0	313.446	-1.014	20	0		DAADRP
CC[N@H+](CCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])C1CC1	ZINC000579092006	373587687	/nfs/dbraw/zinc/58/76/87/373587687.db2.gz	GWLQVBDOLLJDJO-CYBMUJFWSA-N	2	0	311.430	-1.312	20	0		DAADRP
CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H](C[NH3+])C1	ZINC000568373621	373545575	/nfs/dbraw/zinc/54/55/75/373545575.db2.gz	OVUIEYBKOBQGIJ-YPMHNXCESA-N	2	0	309.414	-1.559	20	0		DAADRP
CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C	ZINC000569218716	373547232	/nfs/dbraw/zinc/54/72/32/373547232.db2.gz	GJXSROZWBLGITM-ZDUSSCGKSA-N	2	0	313.446	-1.242	20	0		DAADRP
CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C	ZINC000569218715	373548329	/nfs/dbraw/zinc/54/83/29/373548329.db2.gz	GJXSROZWBLGITM-CYBMUJFWSA-N	2	0	313.446	-1.242	20	0		DAADRP
O=C(CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)N1CC[NH2+]CC1	ZINC000574518046	373561318	/nfs/dbraw/zinc/56/13/18/373561318.db2.gz	RIISBYBGPKJKOX-ZDUSSCGKSA-N	2	0	320.397	-1.031	20	0		DAADRP
COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H]1CS(N)(=O)=O	ZINC000575812420	373566662	/nfs/dbraw/zinc/56/66/62/373566662.db2.gz	LXMDBYCRSPTYIO-NEPJUHHUSA-N	2	0	309.432	-1.322	20	0		DAADRP
CCOC(=O)C[C@@H](CO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1	ZINC000576943266	373569899	/nfs/dbraw/zinc/56/98/99/373569899.db2.gz	DEQDFDGNKBJQQQ-STQMWFEESA-N	2	0	303.403	-1.502	20	0		DAADRP
O=C(COC1C[NH2+]C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000577176574	373572731	/nfs/dbraw/zinc/57/27/31/373572731.db2.gz	TUUOFFFXKZZILY-GFCCVEGCSA-N	2	0	310.398	-1.355	20	0		DAADRP
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+]	ZINC000577208870	373574182	/nfs/dbraw/zinc/57/41/82/373574182.db2.gz	PIXGXNMWVBFHPE-MRVWCRGKSA-N	2	0	323.441	-1.313	20	0		DAADRP
C[C@H](NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C1CC[NH+](C)CC1	ZINC000627352587	373657137	/nfs/dbraw/zinc/65/71/37/373657137.db2.gz	BGAYPOJGSQHZDW-WCQYABFASA-N	2	0	312.414	-1.063	20	0		DAADRP
C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C[N@@H+]1C1CC1	ZINC000627349165	373657329	/nfs/dbraw/zinc/65/73/29/373657329.db2.gz	FGNKRGVBPFJLPP-GRYCIOLGSA-N	2	0	310.398	-1.168	20	0		DAADRP
C[C@@H](NC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C1CC[NH+](C)CC1	ZINC000627352588	373657394	/nfs/dbraw/zinc/65/73/94/373657394.db2.gz	BGAYPOJGSQHZDW-YPMHNXCESA-N	2	0	312.414	-1.063	20	0		DAADRP
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC000627294544	373632484	/nfs/dbraw/zinc/63/24/84/373632484.db2.gz	DAEYSKSNZSXZHT-NEPJUHHUSA-N	2	0	300.403	-1.063	20	0		DAADRP
CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC000627294546	373633468	/nfs/dbraw/zinc/63/34/68/373633468.db2.gz	DAEYSKSNZSXZHT-RYUDHWBXSA-N	2	0	300.403	-1.063	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2	ZINC000627313256	373642977	/nfs/dbraw/zinc/64/29/77/373642977.db2.gz	ZXURNWBOBASUJO-QWHCGFSZSA-N	2	0	323.441	-1.251	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2	ZINC000627313257	373644312	/nfs/dbraw/zinc/64/43/12/373644312.db2.gz	ZXURNWBOBASUJO-STQMWFEESA-N	2	0	323.441	-1.251	20	0		DAADRP
C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)C2)CC1	ZINC000627313797	373646527	/nfs/dbraw/zinc/64/65/27/373646527.db2.gz	MVZQYYQAEFHURS-OLZOCXBDSA-N	2	0	323.441	-1.251	20	0		DAADRP
CCN(CC[NH3+])C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000627334679	373648744	/nfs/dbraw/zinc/64/87/44/373648744.db2.gz	XXSQJRIOMBDPRA-UHFFFAOYSA-N	2	0	313.446	-1.064	20	0		DAADRP
[NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[N@@H+]3C[C@H](O)C[C@H]3C1)C2	ZINC000622031107	373653746	/nfs/dbraw/zinc/65/37/46/373653746.db2.gz	HNVSHZBNWDJRHL-OQMKEHIESA-N	2	0	322.409	-1.396	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1	ZINC000627352901	373655121	/nfs/dbraw/zinc/65/51/21/373655121.db2.gz	LXYRDCJLLXFAMY-NEPJUHHUSA-N	2	0	300.403	-1.063	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1	ZINC000627352904	373656309	/nfs/dbraw/zinc/65/63/09/373656309.db2.gz	LXYRDCJLLXFAMY-VXGBXAGGSA-N	2	0	300.403	-1.063	20	0		DAADRP
CC1CC[NH+](CCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1	ZINC000627357748	373669556	/nfs/dbraw/zinc/66/95/56/373669556.db2.gz	PBYCUXIWSSOVHH-CYBMUJFWSA-N	2	0	312.414	-1.061	20	0		DAADRP
COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC000627361357	373671591	/nfs/dbraw/zinc/67/15/91/373671591.db2.gz	MKBMBLUZLKMYHX-LBPRGKRZSA-N	2	0	316.402	-1.825	20	0		DAADRP
O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000627446532	373678011	/nfs/dbraw/zinc/67/80/11/373678011.db2.gz	OUYCGNVUHKYTKH-XQQFMLRXSA-N	2	0	322.409	-1.335	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C	ZINC000627461809	373678035	/nfs/dbraw/zinc/67/80/35/373678035.db2.gz	ZVNBJIOSVLMLHB-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1	ZINC000627461403	373678057	/nfs/dbraw/zinc/67/80/57/373678057.db2.gz	OKQYXQBMHYPOJY-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21	ZINC000627464024	373679668	/nfs/dbraw/zinc/67/96/68/373679668.db2.gz	PDKMLFPQNIZJHE-QWHCGFSZSA-N	2	0	312.414	-1.109	20	0		DAADRP
CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCOCC[NH2+]C	ZINC000627463333	373679838	/nfs/dbraw/zinc/67/98/38/373679838.db2.gz	UPQZZSIMBOGSHY-GFCCVEGCSA-N	2	0	300.403	-1.061	20	0		DAADRP
CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCOCC[NH2+]C	ZINC000627463334	373680137	/nfs/dbraw/zinc/68/01/37/373680137.db2.gz	UPQZZSIMBOGSHY-LBPRGKRZSA-N	2	0	300.403	-1.061	20	0		DAADRP
O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000627470550	373682156	/nfs/dbraw/zinc/68/21/56/373682156.db2.gz	UMIYLHIBYJIOEK-QWHCGFSZSA-N	2	0	310.398	-1.212	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)[C@H]2C1	ZINC000627470060	373682968	/nfs/dbraw/zinc/68/29/68/373682968.db2.gz	KYMLUUHALDPQLJ-AGIUHOORSA-N	2	0	310.398	-1.356	20	0		DAADRP
C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[NH2+]1	ZINC000627476482	373683895	/nfs/dbraw/zinc/68/38/95/373683895.db2.gz	GBUAMHWEPBHBMK-ZDEQEGDKSA-N	2	0	310.398	-1.480	20	0		DAADRP
O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCCCN1CC[NH2+]CC1	ZINC000631900063	373697215	/nfs/dbraw/zinc/69/72/15/373697215.db2.gz	GOMICHQBGHHGHI-LBPRGKRZSA-N	2	0	306.432	-1.811	20	0		DAADRP
O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC000631937742	373703888	/nfs/dbraw/zinc/70/38/88/373703888.db2.gz	ZIFXGYDLGBVKCE-CHWSQXEVSA-N	2	0	318.443	-1.716	20	0		DAADRP
O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCN([C@H]2CC[NH2+]C2)CC1	ZINC000631938182	373704680	/nfs/dbraw/zinc/70/46/80/373704680.db2.gz	WZMGKGLLZBJTBT-STQMWFEESA-N	2	0	318.443	-1.716	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2	ZINC000633086941	373725851	/nfs/dbraw/zinc/72/58/51/373725851.db2.gz	CCYGMULCUPCSPJ-STQMWFEESA-N	3	0	311.430	-1.489	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000633088210	373726488	/nfs/dbraw/zinc/72/64/88/373726488.db2.gz	FFIJYYVQTPGTJU-BETUJISGSA-N	2	0	312.414	-1.014	20	0		DAADRP
CCC[N@H+](CC)CCNC(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000419770374	269712395	/nfs/dbraw/zinc/71/23/95/269712395.db2.gz	WXOASPPZKLKRFP-UHFFFAOYSA-N	2	0	313.446	-1.144	20	0		DAADRP
CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656062920	545812469	/nfs/dbraw/zinc/81/24/69/545812469.db2.gz	UYRNFXBCVSGHTF-QWHCGFSZSA-N	2	0	312.414	-1.326	20	0		DAADRP
C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656305031	545819937	/nfs/dbraw/zinc/81/99/37/545819937.db2.gz	NNIYTTCHZRLXDQ-FRRDWIJNSA-N	2	0	312.414	-1.280	20	0		DAADRP
O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1	ZINC000627380815	545829556	/nfs/dbraw/zinc/82/95/56/545829556.db2.gz	ZLTIHCKXVLWJBQ-OLZOCXBDSA-N	2	0	310.398	-1.309	20	0		DAADRP
C[C@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C[NH+]1CCCC1	ZINC000627398554	545830548	/nfs/dbraw/zinc/83/05/48/545830548.db2.gz	PUCNKMAVKZPZBR-OLZOCXBDSA-N	2	0	312.414	-1.061	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1	ZINC000673352061	545865113	/nfs/dbraw/zinc/86/51/13/545865113.db2.gz	QYOZTVGLYBMPQY-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
[NH3+][C@@H]1CCCCN(CC(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)C1=O	ZINC000648136028	409321513	/nfs/dbraw/zinc/32/15/13/409321513.db2.gz	LVORBKZJWGNHJB-UPJWGTAASA-N	2	0	310.398	-1.085	20	0		DAADRP
[NH3+][C@@H]1CCCCN(CC(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)C1=O	ZINC000648136027	409321776	/nfs/dbraw/zinc/32/17/76/409321776.db2.gz	LVORBKZJWGNHJB-JHJVBQTASA-N	2	0	310.398	-1.085	20	0		DAADRP
CCO[C@@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+]	ZINC000652201870	409382385	/nfs/dbraw/zinc/38/23/85/409382385.db2.gz	RVOPALZWZFIGTB-VXGBXAGGSA-N	2	0	313.402	-1.577	20	0		DAADRP
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1	ZINC000636746316	409386495	/nfs/dbraw/zinc/38/64/95/409386495.db2.gz	GPNRJIZTIWPAGC-UONOGXRCSA-N	2	0	313.446	-1.012	20	0		DAADRP
CN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)[C@@H](C[NH3+])C1	ZINC000518514739	409333903	/nfs/dbraw/zinc/33/39/03/409333903.db2.gz	PUOKOBRTFUXBNG-OLZOCXBDSA-N	2	0	311.430	-1.360	20	0		DAADRP
CC(=O)NCC(=O)NCC(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000531118488	409343462	/nfs/dbraw/zinc/34/34/62/409343462.db2.gz	GKRDMYOZBWFVJI-UHFFFAOYSA-N	2	0	315.418	-1.810	20	0		DAADRP
CNS(=O)(=O)[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1	ZINC000647885648	409402089	/nfs/dbraw/zinc/40/20/89/409402089.db2.gz	AQRMNMMUJYSSFF-LBPRGKRZSA-N	2	0	318.443	-1.178	20	0		DAADRP
C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1	ZINC000332591653	409461823	/nfs/dbraw/zinc/46/18/23/409461823.db2.gz	GFPLJESYNFIUMI-AGIUHOORSA-N	2	0	310.398	-1.132	20	0		DAADRP
Cn1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(=O)n(C)c1=O	ZINC000352527245	409468972	/nfs/dbraw/zinc/46/89/72/409468972.db2.gz	YERXBECBPSKVSN-ZDUSSCGKSA-N	2	0	307.398	-1.437	20	0		DAADRP
O=C(NCCNc1cc[nH+]cc1)NCC(=O)N1CC[NH2+]CC1	ZINC000515375547	409555957	/nfs/dbraw/zinc/55/59/57/409555957.db2.gz	CTTNPLBNJUGAEF-UHFFFAOYSA-N	2	0	306.370	-1.354	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)N2CCC(O)(C[NH3+])CC2)CC1=O	ZINC000515302132	409557979	/nfs/dbraw/zinc/55/79/79/409557979.db2.gz	KTNMKDGZAQHHDV-GFCCVEGCSA-N	2	0	312.414	-1.291	20	0		DAADRP
NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000430615787	409567385	/nfs/dbraw/zinc/56/73/85/409567385.db2.gz	DCRDFJJVBISMCK-LLVKDONJSA-N	2	0	311.386	-1.285	20	0		DAADRP
C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@]1(O)CC[N@H+](C)C1	ZINC000358724281	409500460	/nfs/dbraw/zinc/50/04/60/409500460.db2.gz	QRMHSXYDCCBNTD-UKRRQHHQSA-N	2	0	313.446	-1.012	20	0		DAADRP
Cn1c2ncn(CC[N@@H+]3CC[C@@H](C[NH3+])C3)c2c(=O)n(C)c1=O	ZINC000430922141	409568090	/nfs/dbraw/zinc/56/80/90/409568090.db2.gz	XPOHQRSAFVEIFP-JTQLQIEISA-N	2	0	306.370	-1.286	20	0		DAADRP
C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000430621230	409568342	/nfs/dbraw/zinc/56/83/42/409568342.db2.gz	CLJKZDAWGPUXSE-GHMZBOCLSA-N	2	0	311.386	-1.286	20	0		DAADRP
C[NH2+]CCNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000659712745	409529365	/nfs/dbraw/zinc/52/93/65/409529365.db2.gz	KLKPGVXXAUZEAE-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@]12C[NH2+]C[C@H]1COC2	ZINC000653054295	409534830	/nfs/dbraw/zinc/53/48/30/409534830.db2.gz	LIQBYSMBZLQKMK-ZANVPECISA-N	2	0	307.358	-1.611	20	0		DAADRP
CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1	ZINC000423494071	409547365	/nfs/dbraw/zinc/54/73/65/409547365.db2.gz	CSZKIYNCGKFNOU-LBPRGKRZSA-N	2	0	300.403	-1.029	20	0		DAADRP
C[C@@H]1COCCN1CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000659743295	409698293	/nfs/dbraw/zinc/69/82/93/409698293.db2.gz	MAQOHRRLYFWGIO-XIKARTHZSA-N	2	0	310.398	-1.309	20	0		DAADRP
C[NH2+]C[C@H](C)NC(=O)C(=O)NCCN1CCOCC1(C)C	ZINC000659751274	409698860	/nfs/dbraw/zinc/69/88/60/409698860.db2.gz	FXPVXXJYSJSEPF-NSHDSACASA-N	2	0	300.403	-1.063	20	0		DAADRP
[NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1	ZINC000529387725	409647770	/nfs/dbraw/zinc/64/77/70/409647770.db2.gz	LWLGOTHEHCRZGG-NWDGAFQWSA-N	2	0	313.402	-1.529	20	0		DAADRP
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2	ZINC000649072687	409649206	/nfs/dbraw/zinc/64/92/06/409649206.db2.gz	HFNTURGGXOZWLU-UONOGXRCSA-N	2	0	323.441	-1.045	20	0		DAADRP
CN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@@H](C[NH3+])C1	ZINC000576348630	409660052	/nfs/dbraw/zinc/66/00/52/409660052.db2.gz	DSFMAXKRQJPXBJ-OLZOCXBDSA-N	2	0	311.430	-1.502	20	0		DAADRP
Cc1nn(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(=O)n1C	ZINC000654733113	409666118	/nfs/dbraw/zinc/66/61/18/409666118.db2.gz	OCWRRLBPCUQRIF-UHFFFAOYSA-N	2	0	312.418	-1.158	20	0		DAADRP
C[C@H](C[NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000581538784	409667112	/nfs/dbraw/zinc/66/71/12/409667112.db2.gz	LIWTXGKRGSGPCK-GFCCVEGCSA-N	3	0	301.435	-1.351	20	0		DAADRP
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H]1C[NH2+]CCO1	ZINC000659551860	409684507	/nfs/dbraw/zinc/68/45/07/409684507.db2.gz	CIOIWFZJAJNAMO-GFCCVEGCSA-N	2	0	315.418	-1.364	20	0		DAADRP
C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C3)C2)CC1	ZINC000659682655	409688389	/nfs/dbraw/zinc/68/83/89/409688389.db2.gz	MVZQYYQAEFHURS-QWHCGFSZSA-N	2	0	323.441	-1.251	20	0		DAADRP
C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCC[NH+]1CCOCC1	ZINC000659697890	409690209	/nfs/dbraw/zinc/69/02/09/409690209.db2.gz	GLWGKJMUXCKGBX-LBPRGKRZSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)CCO1	ZINC000662948257	409723237	/nfs/dbraw/zinc/72/32/37/409723237.db2.gz	UZCAMMIXCJALPQ-CYBMUJFWSA-N	2	0	312.414	-1.013	20	0		DAADRP
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C2(O)C[NH2+]C2)c1	ZINC000662698065	409713218	/nfs/dbraw/zinc/71/32/18/409713218.db2.gz	HAKJNGQBNRYQQQ-UHFFFAOYSA-N	2	0	320.393	-1.072	20	0		DAADRP
CN(CCC[NH+](C)C)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1	ZINC000662632657	409713373	/nfs/dbraw/zinc/71/33/73/409713373.db2.gz	SHAXXBPNMPAEIZ-ZDUSSCGKSA-N	2	0	313.446	-1.146	20	0		DAADRP
Nc1nc(-n2cccn2)cc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[nH+]1	ZINC000581677711	409810145	/nfs/dbraw/zinc/81/01/45/409810145.db2.gz	LALHJFWNKQEMKJ-NXEZZACHSA-N	2	0	314.353	-1.007	20	0		DAADRP
CNc1nc(NC[C@@H](C)[NH+](C)C)nc(NC[C@H](C)[NH+](C)C)n1	ZINC000443447278	262636421	/nfs/dbraw/zinc/63/64/21/262636421.db2.gz	RBOWIWCQWQEEKS-PHIMTYICSA-N	2	0	310.450	-1.097	20	0		DAADRP
O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CCOCC1	ZINC000430653743	263220922	/nfs/dbraw/zinc/22/09/22/263220922.db2.gz	ZMVRBZXUNIZJBV-AWEZNQCLSA-N	2	0	324.425	-1.011	20	0		DAADRP
CN(C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[C@H]1C[NH2+]C[C@@H]1O	ZINC000331718715	263223547	/nfs/dbraw/zinc/22/35/47/263223547.db2.gz	HOBOXRXDEGMHNS-IHRRRGAJSA-N	2	0	324.425	-1.136	20	0		DAADRP
C[NH2+][C@@H](C)CNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1	ZINC000331954472	263224892	/nfs/dbraw/zinc/22/48/92/263224892.db2.gz	INRDGDVVAZMFAJ-JTQLQIEISA-N	2	0	319.431	-1.777	20	0		DAADRP
C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CCO1	ZINC000423287689	263227238	/nfs/dbraw/zinc/22/72/38/263227238.db2.gz	NWCYMWXMKRGRIC-GFCCVEGCSA-N	2	0	312.414	-1.014	20	0		DAADRP
C[C@@H](O)CN1CCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC1	ZINC000459903677	263230464	/nfs/dbraw/zinc/23/04/64/263230464.db2.gz	XUYSYKAPCFYUBV-GFCCVEGCSA-N	2	0	300.403	-1.469	20	0		DAADRP
C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)C[C@H]1C	ZINC000332249019	263230557	/nfs/dbraw/zinc/23/05/57/263230557.db2.gz	AAYOYINABODJRO-CHWSQXEVSA-N	2	0	312.414	-1.278	20	0		DAADRP
C[C@H](O)C[N@@H+]1CCN(C(=O)NCCN2CC[NH2+]CC2)C[C@H]1C	ZINC000333733137	263251313	/nfs/dbraw/zinc/25/13/13/263251313.db2.gz	WLQKLGMVCWXBBL-KGLIPLIRSA-N	2	0	313.446	-1.012	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1=O	ZINC000358070124	263255048	/nfs/dbraw/zinc/25/50/48/263255048.db2.gz	UKXNOCBRWLKXKS-WFASDCNBSA-N	2	0	312.414	-1.421	20	0		DAADRP
CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCN1CCO[C@H](C)C1	ZINC000520818497	263261856	/nfs/dbraw/zinc/26/18/56/263261856.db2.gz	PNYSSOASOYCBIB-YPMHNXCESA-N	2	0	300.403	-1.077	20	0		DAADRP
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1	ZINC000332591659	263262879	/nfs/dbraw/zinc/26/28/79/263262879.db2.gz	GFPLJESYNFIUMI-UPJWGTAASA-N	2	0	310.398	-1.132	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)[C@H](C)C[NH2+]1	ZINC000419779585	263280591	/nfs/dbraw/zinc/28/05/91/263280591.db2.gz	PJOWHKREUAGUAM-VXGBXAGGSA-N	2	0	300.403	-1.110	20	0		DAADRP
C[NH2+]CCCN(C)CC(=O)N1CCN(CC(=O)N(C)C)CC1	ZINC000515487915	263286422	/nfs/dbraw/zinc/28/64/22/263286422.db2.gz	LAUCJZGIRSNGOU-UHFFFAOYSA-N	2	0	313.446	-1.240	20	0		DAADRP
CN(C)c1nccc(N2CCN(C(=O)CNC(=O)C[NH3+])CC2)n1	ZINC000347606779	263290116	/nfs/dbraw/zinc/29/01/16/263290116.db2.gz	BIVWDMORVSFDEQ-UHFFFAOYSA-N	2	0	321.385	-1.734	20	0		DAADRP
COCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1	ZINC000419445220	263296699	/nfs/dbraw/zinc/29/66/99/263296699.db2.gz	DPAWZLLIAUEBMD-VXGBXAGGSA-N	2	0	300.403	-1.124	20	0		DAADRP
C[NH+](C)C[C@](C)(O)CNS(=O)(=O)CCCN1CCOCC1	ZINC000361821413	263297100	/nfs/dbraw/zinc/29/71/00/263297100.db2.gz	QJFYDMAHRKQWKG-CYBMUJFWSA-N	2	0	323.459	-1.059	20	0		DAADRP
CCC[NH2+]CCNC(=O)C(=O)N1CCN(CCOC)CC1	ZINC000419897604	263298329	/nfs/dbraw/zinc/29/83/29/263298329.db2.gz	ABTDDVUPHBFJJC-UHFFFAOYSA-N	2	0	300.403	-1.107	20	0		DAADRP
C[NH+](C)CCNC(=O)[C@@H]1CC[C@@H](C(=O)NCC[NH+](C)C)O1	ZINC000187303928	263311476	/nfs/dbraw/zinc/31/14/76/263311476.db2.gz	KNKJUGCXPPCQNC-RYUDHWBXSA-N	2	0	300.403	-1.110	20	0		DAADRP
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1	ZINC000357930959	263313072	/nfs/dbraw/zinc/31/30/72/263313072.db2.gz	WCFORBFNTCSUGC-AVGNSLFASA-N	2	0	312.414	-1.232	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1=O	ZINC000358070122	263316033	/nfs/dbraw/zinc/31/60/33/263316033.db2.gz	UKXNOCBRWLKXKS-SWLSCSKDSA-N	2	0	312.414	-1.421	20	0		DAADRP
O=C(C[C@H]1COCC[NH2+]1)N1CCC[C@@H](N2CCNCC2=O)C1	ZINC000375920990	263317280	/nfs/dbraw/zinc/31/72/80/263317280.db2.gz	HJPUYUOKISZMSB-QWHCGFSZSA-N	2	0	310.398	-1.212	20	0		DAADRP
COCC(=O)N1CCN(CCC(=O)N2CCN(C)CC2)CC1	ZINC000331146372	263317293	/nfs/dbraw/zinc/31/72/93/263317293.db2.gz	AJUZNBYKBKLFKI-UHFFFAOYSA-N	2	0	312.414	-1.059	20	0		DAADRP
CN1CCN(C(=O)CN2CCN(C(=O)C[NH+](C)C)CC2)CC1	ZINC000180431235	263318593	/nfs/dbraw/zinc/31/85/93/263318593.db2.gz	RKIDGRFMUSROGW-UHFFFAOYSA-N	2	0	311.430	-1.534	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCC[NH2+]1	ZINC000419901196	263324283	/nfs/dbraw/zinc/32/42/83/263324283.db2.gz	STHQHZLPIYCTMJ-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)cc1=O	ZINC001195849534	782082247	/nfs/dbraw/zinc/08/22/47/782082247.db2.gz	AYHUVYOSEZUNRL-ZIAGYGMSSA-N	2	0	322.409	-1.002	20	0		DAADRP
COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC001195829593	782084466	/nfs/dbraw/zinc/08/44/66/782084466.db2.gz	QHYVLFYDMLJUNH-BFHYXJOUSA-N	2	0	315.414	-1.503	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[NH3+]	ZINC000569795769	332680381	/nfs/dbraw/zinc/68/03/81/332680381.db2.gz	NTIFFKHANGCFEF-UHFFFAOYSA-N	3	0	301.435	-1.208	20	0		DAADRP
C[C@@H]([NH3+])[C@H]1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1	ZINC000582062813	333195833	/nfs/dbraw/zinc/19/58/33/333195833.db2.gz	BFUIUOASYHHGOJ-BDAKNGLRSA-N	2	0	309.370	-1.482	20	0		DAADRP
CC[C@@H](C(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1O)[NH+](C)C	ZINC001196268315	782095849	/nfs/dbraw/zinc/09/58/49/782095849.db2.gz	RDGSAXKRDXQRSG-QNWHQSFQSA-N	2	0	303.403	-1.505	20	0		DAADRP
Cn1[nH]c(CN2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)nc1=O	ZINC000563153306	333398100	/nfs/dbraw/zinc/39/81/00/333398100.db2.gz	PGDRBUWEQFJZMO-NSHDSACASA-N	2	0	308.386	-1.248	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1	ZINC000582231682	336285879	/nfs/dbraw/zinc/28/58/79/336285879.db2.gz	IYROZVDOQYXWKH-GFCCVEGCSA-N	2	0	323.397	-2.161	20	0		DAADRP
O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC000582544360	337102908	/nfs/dbraw/zinc/10/29/08/337102908.db2.gz	JHHSQJHUNWVWFQ-KGLIPLIRSA-N	2	0	323.441	-1.249	20	0		DAADRP
COCC[N@H+](C)C[C@@H](O)CN1CCN(C(=O)C[NH+](C)C)CC1	ZINC000582853790	337210671	/nfs/dbraw/zinc/21/06/71/337210671.db2.gz	LXLKULGJCFIQBQ-CQSZACIVSA-N	2	0	316.446	-1.369	20	0		DAADRP
CN1CC[NH2+]C[C@H]1CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1	ZINC000584470848	337345143	/nfs/dbraw/zinc/34/51/43/337345143.db2.gz	MDWDYWUCHNOODT-NEPJUHHUSA-N	2	0	307.402	-1.164	20	0		DAADRP
C[C@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)C[C@H](C)[NH2+]1	ZINC000419774461	337492004	/nfs/dbraw/zinc/49/20/04/337492004.db2.gz	JUVZDOTTZWSCFI-RYUDHWBXSA-N	2	0	300.403	-1.110	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1	ZINC000572826628	337614164	/nfs/dbraw/zinc/61/41/64/337614164.db2.gz	WEZRHUOAFPIKJH-CYBMUJFWSA-N	3	0	313.446	-1.208	20	0		DAADRP
COC[C@@]1(CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CCC[NH2+]1	ZINC000566251700	341552054	/nfs/dbraw/zinc/55/20/54/341552054.db2.gz	WCVYUZVOVGKIAG-JSGCOSHPSA-N	2	0	300.403	-1.029	20	0		DAADRP
C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[NH2+]1	ZINC000576934947	341870563	/nfs/dbraw/zinc/87/05/63/341870563.db2.gz	SNZLIEUUNLZRJN-ZDUSSCGKSA-N	3	0	313.446	-1.242	20	0		DAADRP
CC[NH+](CC)CC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@H]1O	ZINC001197058723	782122042	/nfs/dbraw/zinc/12/20/42/782122042.db2.gz	YAJDGWHXBVCZHQ-VXGBXAGGSA-N	2	0	300.403	-1.422	20	0		DAADRP
C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1	ZINC001197319401	782128428	/nfs/dbraw/zinc/12/84/28/782128428.db2.gz	DCHJVDMAGASTGH-MRVWCRGKSA-N	2	0	315.414	-1.361	20	0		DAADRP
C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1	ZINC001197319400	782129773	/nfs/dbraw/zinc/12/97/73/782129773.db2.gz	DCHJVDMAGASTGH-IACUBPJLSA-N	2	0	315.414	-1.361	20	0		DAADRP
CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@H]1O	ZINC001197536508	782133789	/nfs/dbraw/zinc/13/37/89/782133789.db2.gz	WEDSTUXYCPFDPI-YNEHKIRRSA-N	2	0	303.403	-1.503	20	0		DAADRP
CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@H]1O	ZINC001197536507	782134920	/nfs/dbraw/zinc/13/49/20/782134920.db2.gz	WEDSTUXYCPFDPI-JHJVBQTASA-N	2	0	303.403	-1.503	20	0		DAADRP
COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1	ZINC001197826016	782141690	/nfs/dbraw/zinc/14/16/90/782141690.db2.gz	MDYGCNBGKCSMIN-YNEHKIRRSA-N	2	0	303.403	-1.239	20	0		DAADRP
CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1	ZINC001197825780	782142947	/nfs/dbraw/zinc/14/29/47/782142947.db2.gz	IJCNBYMZHHNHPN-JHJVBQTASA-N	2	0	303.403	-1.239	20	0		DAADRP
COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cnc2C)C1	ZINC001198134682	782148893	/nfs/dbraw/zinc/14/88/93/782148893.db2.gz	YYHSIECEFUSVIQ-RAIGVLPGSA-N	2	0	312.370	-1.571	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C	ZINC001152445200	782153429	/nfs/dbraw/zinc/15/34/29/782153429.db2.gz	DDMREHODHOFMBJ-SNVBAGLBSA-N	2	0	301.391	-1.124	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCNC(=O)C[N@H+](C)C(C)C	ZINC001152433168	782154244	/nfs/dbraw/zinc/15/42/44/782154244.db2.gz	WEQCMTSCHXGXJQ-UHFFFAOYSA-N	2	0	308.448	-1.028	20	0		DAADRP
COCC[N@H+](C)CCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1	ZINC000351558700	545722779	/nfs/dbraw/zinc/72/27/79/545722779.db2.gz	NEIYOXVIRLCUBF-LBPRGKRZSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[C@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@@H]1C	ZINC000351553052	545723425	/nfs/dbraw/zinc/72/34/25/545723425.db2.gz	CWVDLUMAPDFNJM-RWMBFGLXSA-N	2	0	312.414	-1.232	20	0		DAADRP
C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000331577045	545727400	/nfs/dbraw/zinc/72/74/00/545727400.db2.gz	WHRIIWKOMQPMNU-KBPBESRZSA-N	2	0	323.441	-1.297	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[NH+]2CCC[C@@H]2C1	ZINC000332087861	545729075	/nfs/dbraw/zinc/72/90/75/545729075.db2.gz	JDCYAWGFARQCNX-KGLIPLIRSA-N	2	0	323.441	-1.345	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[NH+]2CCC[C@H]2C1	ZINC000332087862	545729684	/nfs/dbraw/zinc/72/96/84/545729684.db2.gz	JDCYAWGFARQCNX-UONOGXRCSA-N	2	0	323.441	-1.345	20	0		DAADRP
O=C(CN1CCC(C[NH+]2CCOCC2)CC1)N1CCNC(=O)C1	ZINC000377433015	545756544	/nfs/dbraw/zinc/75/65/44/545756544.db2.gz	RFUFJNWPUZJCEA-UHFFFAOYSA-N	2	0	324.425	-1.011	20	0		DAADRP
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH2+]CC2)C1	ZINC000418925995	545765337	/nfs/dbraw/zinc/76/53/37/545765337.db2.gz	QZQQQHLSNPAIGG-ZDUSSCGKSA-N	2	0	312.414	-1.109	20	0		DAADRP
COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1	ZINC000419702780	545767255	/nfs/dbraw/zinc/76/72/55/545767255.db2.gz	BYPJGTOSSOUXJG-FRRDWIJNSA-N	2	0	312.414	-1.063	20	0		DAADRP
C[C@H](O)CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000659318641	545788525	/nfs/dbraw/zinc/78/85/25/545788525.db2.gz	OOCQPTXNYMLBRN-LBPRGKRZSA-N	2	0	302.419	-1.223	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000649321288	545802283	/nfs/dbraw/zinc/80/22/83/545802283.db2.gz	SHJDLZWTVKLPKX-BFHYXJOUSA-N	2	0	324.425	-1.088	20	0		DAADRP
CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000649365965	545803801	/nfs/dbraw/zinc/80/38/01/545803801.db2.gz	AAFGZQQLFFMEHU-STQMWFEESA-N	2	0	311.430	-1.584	20	0		DAADRP
C[C@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@H]1CCC[NH2+]C1	ZINC000656019595	545809416	/nfs/dbraw/zinc/80/94/16/545809416.db2.gz	HCGJACPQIWQMBF-XDQVBPFNSA-N	2	0	324.425	-1.232	20	0		DAADRP
C[C@@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CCC[NH2+]C1	ZINC000656019596	545809988	/nfs/dbraw/zinc/80/99/88/545809988.db2.gz	HCGJACPQIWQMBF-YIYPIFLZSA-N	2	0	324.425	-1.232	20	0		DAADRP
[NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656102969	545815179	/nfs/dbraw/zinc/81/51/79/545815179.db2.gz	RMZNBPYTJMUURU-RWMBFGLXSA-N	2	0	310.398	-1.396	20	0		DAADRP
CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1	ZINC000656286705	545816675	/nfs/dbraw/zinc/81/66/75/545816675.db2.gz	PRKCYKAUCFZMPG-UONOGXRCSA-N	2	0	324.425	-1.136	20	0		DAADRP
O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656104142	545817067	/nfs/dbraw/zinc/81/70/67/545817067.db2.gz	IKOORLSQQZJFOK-ZOBORPQBSA-N	2	0	322.409	-1.383	20	0		DAADRP
O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H]2CC[NH2+][C@H]2C1	ZINC000656103964	545817713	/nfs/dbraw/zinc/81/77/13/545817713.db2.gz	DOIMYUPAOATABB-FQUUOJAGSA-N	2	0	322.409	-1.526	20	0		DAADRP
[NH3+]CCC1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1	ZINC000656104180	545818051	/nfs/dbraw/zinc/81/80/51/545818051.db2.gz	JFQPVFWKCVEREI-UONOGXRCSA-N	2	0	324.425	-1.149	20	0		DAADRP
CC[N@H+](CCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)C1CC1	ZINC000656308812	545819788	/nfs/dbraw/zinc/81/97/88/545819788.db2.gz	IFDGJAYVHYZPQT-UONOGXRCSA-N	2	0	324.425	-1.136	20	0		DAADRP
C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C	ZINC000656316181	545820281	/nfs/dbraw/zinc/82/02/81/545820281.db2.gz	PVHLLXRNUPPVNE-XDQVBPFNSA-N	2	0	324.425	-1.137	20	0		DAADRP
CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC000627395913	545830634	/nfs/dbraw/zinc/83/06/34/545830634.db2.gz	ZECRRIFFKCNEBO-VXGBXAGGSA-N	2	0	300.403	-1.063	20	0		DAADRP
C[C@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C[NH+]1CCCC1	ZINC000627398553	545830734	/nfs/dbraw/zinc/83/07/34/545830734.db2.gz	PUCNKMAVKZPZBR-CHWSQXEVSA-N	2	0	312.414	-1.061	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1C[N@@H+]2CCN1CCC2	ZINC000662907719	545839724	/nfs/dbraw/zinc/83/97/24/545839724.db2.gz	VZSGRANPXDBJOE-STQMWFEESA-N	2	0	309.414	-1.639	20	0		DAADRP
O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000662907716	545840106	/nfs/dbraw/zinc/84/01/06/545840106.db2.gz	VZSGRANPXDBJOE-CHWSQXEVSA-N	2	0	309.414	-1.639	20	0		DAADRP
C[C@@]1(C(=O)Nc2ccn(CCN3CCOCC3)n2)C[NH2+]CCO1	ZINC000638110760	545848970	/nfs/dbraw/zinc/84/89/70/545848970.db2.gz	PMVWEIIWFNCWHE-HNNXBMFYSA-N	2	0	323.397	-0.468	20	0		DAADRP
C[NH+](C)CCn1ccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)n1	ZINC000351553544	545849882	/nfs/dbraw/zinc/84/98/82/545849882.db2.gz	FGJZVROVDPKSET-LLVKDONJSA-N	2	0	308.386	-0.749	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1	ZINC000672597110	545863737	/nfs/dbraw/zinc/86/37/37/545863737.db2.gz	NIQSCNISPYCANN-CHWSQXEVSA-N	2	0	311.430	-1.441	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)CC1=O	ZINC000673524555	545866247	/nfs/dbraw/zinc/86/62/47/545866247.db2.gz	YPDMFMAQNJBUJX-VXGBXAGGSA-N	2	0	300.403	-1.565	20	0		DAADRP
C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1	ZINC001045717125	678470123	/nfs/dbraw/zinc/47/01/23/678470123.db2.gz	VCLUHSDQGOETCK-UHFFFAOYSA-N	2	0	300.403	-1.421	20	0		DAADRP
NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC000969409158	662315093	/nfs/dbraw/zinc/31/50/93/662315093.db2.gz	ZSEGJUQYJDFQEW-OOLXCHQQSA-N	2	0	308.382	-1.475	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1	ZINC000970713956	662368450	/nfs/dbraw/zinc/36/84/50/662368450.db2.gz	AMNOZKQFZGDIII-NWDGAFQWSA-N	2	0	323.397	-1.320	20	0		DAADRP
CC[N@@H+]1CCCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1	ZINC000926293766	662392132	/nfs/dbraw/zinc/39/21/32/662392132.db2.gz	BTHBJYUTQZAWQO-UHFFFAOYSA-N	2	0	311.430	-1.438	20	0		DAADRP
O=C(CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F)N1CC[NH2+]CC1	ZINC000891970989	662394107	/nfs/dbraw/zinc/39/41/07/662394107.db2.gz	LJWCLOSDOQHEHW-SNVBAGLBSA-N	2	0	319.356	-1.038	20	0		DAADRP
[NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1	ZINC000926326101	662395082	/nfs/dbraw/zinc/39/50/82/662395082.db2.gz	KNMGTWURJXILHT-CZUORRHYSA-N	2	0	324.425	-1.005	20	0		DAADRP
O=C(N[C@H]1CC[NH2+]C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC000892002076	662396684	/nfs/dbraw/zinc/39/66/84/662396684.db2.gz	KSZQYNNGEROGBD-QCNOEVLYSA-N	2	0	309.370	-1.075	20	0		DAADRP
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1	ZINC000926335901	662397246	/nfs/dbraw/zinc/39/72/46/662397246.db2.gz	CFTLJQCQIAFGPI-XJKCOSOUSA-N	2	0	324.425	-1.006	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCNCC[NH2+]CC3)CC[C@H]21	ZINC000926398487	662403367	/nfs/dbraw/zinc/40/33/67/662403367.db2.gz	VSCRNOLMLDJZIV-ZIAGYGMSSA-N	2	0	323.441	-1.440	20	0		DAADRP
O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000926406233	662404086	/nfs/dbraw/zinc/40/40/86/662404086.db2.gz	IGWFRLXREASWOY-AWEZNQCLSA-N	2	0	321.425	-1.520	20	0		DAADRP
O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000926406234	662404390	/nfs/dbraw/zinc/40/43/90/662404390.db2.gz	IGWFRLXREASWOY-CQSZACIVSA-N	2	0	321.425	-1.520	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21	ZINC001025708517	662527448	/nfs/dbraw/zinc/52/74/48/662527448.db2.gz	UHTJGBJGGGSQPA-XJBAAKRRSA-N	2	0	320.393	-1.068	20	0		DAADRP
O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000314238991	662533896	/nfs/dbraw/zinc/53/38/96/662533896.db2.gz	XCKWPLHGONRSRW-AGIUHOORSA-N	2	0	319.427	-1.243	20	0		DAADRP
CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1	ZINC000978626573	662615145	/nfs/dbraw/zinc/61/51/45/662615145.db2.gz	FMZIWLMKOKOKBK-YIYPIFLZSA-N	2	0	324.425	-1.125	20	0		DAADRP
CN1CC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000931879616	662646700	/nfs/dbraw/zinc/64/67/00/662646700.db2.gz	TULBQHCCIHJUMU-ZDUSSCGKSA-N	2	0	313.446	-1.242	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2C)CC1=O	ZINC000924984637	662692238	/nfs/dbraw/zinc/69/22/38/662692238.db2.gz	WTXYLFMMGHGWGR-UPJWGTAASA-N	2	0	312.414	-1.422	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)NCC[N@H+](C)CCO)CC1=O	ZINC000925007353	662694130	/nfs/dbraw/zinc/69/41/30/662694130.db2.gz	OCYMQHQUZFEGSK-GFCCVEGCSA-N	2	0	300.403	-1.563	20	0		DAADRP
Cn1[nH]c(CN2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1=O	ZINC001028984888	662694836	/nfs/dbraw/zinc/69/48/36/662694836.db2.gz	FWZYVCCIIXJQFP-NWDGAFQWSA-N	2	0	322.413	-1.002	20	0		DAADRP
CC1(C)CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H]1[NH3+]	ZINC000903770610	662790360	/nfs/dbraw/zinc/79/03/60/662790360.db2.gz	HMPRSKSWAHQESX-QJPTWQEYSA-N	2	0	310.398	-1.541	20	0		DAADRP
C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCNCC[NH2+]CC3)C[C@]2(C)C1	ZINC000904968949	662792333	/nfs/dbraw/zinc/79/23/33/662792333.db2.gz	QWUKQSNFASBYNS-CJNGLKHVSA-N	2	0	323.441	-1.582	20	0		DAADRP
O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC[C@]12CC[NH2+]C2	ZINC000905012874	662793071	/nfs/dbraw/zinc/79/30/71/662793071.db2.gz	PDTNEJWLULZIGP-WOSRLPQWSA-N	2	0	322.409	-1.382	20	0		DAADRP
[NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000905006881	662793220	/nfs/dbraw/zinc/79/32/20/662793220.db2.gz	FTAMQKODAAKDKZ-IATRGZMQSA-N	2	0	322.409	-1.396	20	0		DAADRP
O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC[C@@]12CC[NH2+]C2	ZINC000905012875	662793305	/nfs/dbraw/zinc/79/33/05/662793305.db2.gz	PDTNEJWLULZIGP-ZENOOKHLSA-N	2	0	322.409	-1.382	20	0		DAADRP
CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000904987257	662793490	/nfs/dbraw/zinc/79/34/90/662793490.db2.gz	OBJHUUUHMVWMTK-STQMWFEESA-N	2	0	312.414	-1.149	20	0		DAADRP
C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000904985752	662793520	/nfs/dbraw/zinc/79/35/20/662793520.db2.gz	CPMKYAXXTUEGEV-YNEHKIRRSA-N	2	0	312.414	-1.150	20	0		DAADRP
[NH3+][C@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1	ZINC000904985349	662793556	/nfs/dbraw/zinc/79/35/56/662793556.db2.gz	ACFRJLTULFMHOJ-YNEHKIRRSA-N	2	0	310.398	-1.396	20	0		DAADRP
[NH3+][C@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1	ZINC000904985343	662793566	/nfs/dbraw/zinc/79/35/66/662793566.db2.gz	ACFRJLTULFMHOJ-AVGNSLFASA-N	2	0	310.398	-1.396	20	0		DAADRP
O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000904987616	662793838	/nfs/dbraw/zinc/79/38/38/662793838.db2.gz	QGQMPYPZTDXBTH-XUXIUFHCSA-N	2	0	322.409	-1.383	20	0		DAADRP
COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1	ZINC000905016559	662793866	/nfs/dbraw/zinc/79/38/66/662793866.db2.gz	SMHKNZFFQNIGNJ-XJKSGUPXSA-N	2	0	324.425	-1.013	20	0		DAADRP
C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC[NH2+]1	ZINC000904988098	662793934	/nfs/dbraw/zinc/79/39/34/662793934.db2.gz	SMMNBVKESZPRSH-MJBXVCDLSA-N	2	0	324.425	-1.136	20	0		DAADRP
CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000904986063	662794156	/nfs/dbraw/zinc/79/41/56/662794156.db2.gz	FMOKXWLEDVZMLE-OLZOCXBDSA-N	2	0	312.414	-1.149	20	0		DAADRP
COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000905022391	662794274	/nfs/dbraw/zinc/79/42/74/662794274.db2.gz	QSSRXIARNUYLDF-MELADBBJSA-N	2	0	324.425	-1.014	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2	ZINC000911029503	663135697	/nfs/dbraw/zinc/13/56/97/663135697.db2.gz	CLFSOHBURIDUBO-BBRMVZONSA-N	2	0	323.441	-1.297	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C	ZINC000911031293	663135843	/nfs/dbraw/zinc/13/58/43/663135843.db2.gz	PIEROBRLPIUEEG-NEPJUHHUSA-N	2	0	311.430	-1.537	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1	ZINC000911032385	663135948	/nfs/dbraw/zinc/13/59/48/663135948.db2.gz	UDLBDCVKTUXHEX-RYUDHWBXSA-N	2	0	311.430	-1.456	20	0		DAADRP
COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)CC[NH+](C)C	ZINC000911073873	663136268	/nfs/dbraw/zinc/13/62/68/663136268.db2.gz	XBICDFZDWFFPKM-RYUDHWBXSA-N	2	0	300.403	-1.110	20	0		DAADRP
COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000911072702	663136447	/nfs/dbraw/zinc/13/64/47/663136447.db2.gz	NDDWIBUIRCVZGQ-DGCLKSJQSA-N	2	0	310.398	-1.214	20	0		DAADRP
COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)CC[NH+](C)C	ZINC000911073864	663136478	/nfs/dbraw/zinc/13/64/78/663136478.db2.gz	XBICDFZDWFFPKM-NEPJUHHUSA-N	2	0	300.403	-1.110	20	0		DAADRP
[NH3+]C1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1	ZINC000911071694	663136485	/nfs/dbraw/zinc/13/64/85/663136485.db2.gz	CZFKCCONUXYUPQ-CYBMUJFWSA-N	2	0	323.441	-1.121	20	0		DAADRP
COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000911072704	663136697	/nfs/dbraw/zinc/13/66/97/663136697.db2.gz	NDDWIBUIRCVZGQ-YPMHNXCESA-N	2	0	310.398	-1.214	20	0		DAADRP
C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000911148478	663137230	/nfs/dbraw/zinc/13/72/30/663137230.db2.gz	PESLKOBAYMIASG-RQJABVFESA-N	2	0	324.425	-1.063	20	0		DAADRP
O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2	ZINC000911147816	663137309	/nfs/dbraw/zinc/13/73/09/663137309.db2.gz	JQZFDONIBOBSID-XGFWRYKXSA-N	2	0	322.409	-1.025	20	0		DAADRP
C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000911147446	663137316	/nfs/dbraw/zinc/13/73/16/663137316.db2.gz	HTJAZGNVYIGXSZ-MROQNXINSA-N	2	0	310.398	-1.310	20	0		DAADRP
C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000911147447	663137560	/nfs/dbraw/zinc/13/75/60/663137560.db2.gz	HTJAZGNVYIGXSZ-YVECIDJPSA-N	2	0	310.398	-1.310	20	0		DAADRP
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000911146270	663137812	/nfs/dbraw/zinc/13/78/12/663137812.db2.gz	KPPGGZYHXNBDLH-TZMCWYRMSA-N	2	0	323.441	-1.393	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C	ZINC000911155779	663138072	/nfs/dbraw/zinc/13/80/72/663138072.db2.gz	LLQWVCLUUCYSMJ-NSHDSACASA-N	2	0	300.403	-1.205	20	0		DAADRP
COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C	ZINC000911232611	663140486	/nfs/dbraw/zinc/14/04/86/663140486.db2.gz	YHGZWAFTSWZCGW-VXGBXAGGSA-N	2	0	300.403	-1.205	20	0		DAADRP
[NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1	ZINC000911222738	663139480	/nfs/dbraw/zinc/13/94/80/663139480.db2.gz	HKALTRXQRBZUCL-BBRMVZONSA-N	2	0	324.425	-1.101	20	0		DAADRP
[NH3+][C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)C1CC1	ZINC000911273200	663140243	/nfs/dbraw/zinc/14/02/43/663140243.db2.gz	JFIRABHANKDHEM-RDBSUJKOSA-N	2	0	324.425	-1.103	20	0		DAADRP
[NH3+][C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)C1CC1	ZINC000911273195	663140431	/nfs/dbraw/zinc/14/04/31/663140431.db2.gz	JFIRABHANKDHEM-HZSPNIEDSA-N	2	0	324.425	-1.103	20	0		DAADRP
C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NCCN3CC[NH2+]CC3)C[C@]2(C)C1	ZINC000911274354	663140553	/nfs/dbraw/zinc/14/05/53/663140553.db2.gz	PBDHDTUUJMCERH-CJNGLKHVSA-N	2	0	323.441	-1.582	20	0		DAADRP
O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCNCC[NH2+]CC1	ZINC000911269549	663140603	/nfs/dbraw/zinc/14/06/03/663140603.db2.gz	LMMMQVSTRSSUHI-KGLIPLIRSA-N	2	0	323.441	-1.249	20	0		DAADRP
COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1	ZINC000911243734	663140669	/nfs/dbraw/zinc/14/06/69/663140669.db2.gz	ZDXAMEFINCHECA-BFHYXJOUSA-N	2	0	324.425	-1.109	20	0		DAADRP
CC(C)([NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000911296693	663141240	/nfs/dbraw/zinc/14/12/40/663141240.db2.gz	KEOTYLURSAEZGF-RYUDHWBXSA-N	2	0	312.414	-1.103	20	0		DAADRP
O=C(NCC[NH2+]C1CC1)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO	ZINC000911282984	663141614	/nfs/dbraw/zinc/14/16/14/663141614.db2.gz	FPROWPDVGUUCPL-UONOGXRCSA-N	2	0	324.425	-1.088	20	0		DAADRP
CC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000911282477	663141708	/nfs/dbraw/zinc/14/17/08/663141708.db2.gz	QZZWKCUTDWZGRR-STQMWFEESA-N	2	0	312.414	-1.230	20	0		DAADRP
CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)C1	ZINC000911338083	663142510	/nfs/dbraw/zinc/14/25/10/663142510.db2.gz	XLNLSBODNOMAKU-ZDUSSCGKSA-N	2	0	311.430	-1.392	20	0		DAADRP
CN(C)c1cc[nH+]c(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)c1	ZINC000911345825	663142867	/nfs/dbraw/zinc/14/28/67/663142867.db2.gz	CQBQHDVNNKAWRP-GFCCVEGCSA-N	2	0	321.381	-1.132	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C[NH+](C)C	ZINC000911345954	663142979	/nfs/dbraw/zinc/14/29/79/663142979.db2.gz	LZPSHRQARDRWCO-NWDGAFQWSA-N	2	0	316.402	-1.826	20	0		DAADRP
C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000911366815	663143789	/nfs/dbraw/zinc/14/37/89/663143789.db2.gz	JRAJYDQGGDVVOP-MQYQWHSLSA-N	2	0	324.425	-1.232	20	0		DAADRP
C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1	ZINC000911411526	663144185	/nfs/dbraw/zinc/14/41/85/663144185.db2.gz	PPPOWHNHWGQGOQ-CYBMUJFWSA-N	2	0	311.430	-1.264	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C[NH+](C)C	ZINC000911436488	663144468	/nfs/dbraw/zinc/14/44/68/663144468.db2.gz	TWMUIMOZWWFLJO-XQQFMLRXSA-N	2	0	312.414	-1.253	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)C[NH+](C)C	ZINC000911436506	663144599	/nfs/dbraw/zinc/14/45/99/663144599.db2.gz	UJRBFPAYORAOOD-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)C[NH+](C)C	ZINC000911436764	663144777	/nfs/dbraw/zinc/14/47/77/663144777.db2.gz	VPMPISVBDKYZPE-NEPJUHHUSA-N	2	0	300.403	-1.124	20	0		DAADRP
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC3([NH3+])CC3)CC2)C1	ZINC000911503272	663147679	/nfs/dbraw/zinc/14/76/79/663147679.db2.gz	NPJPNMRNBVKJCR-CYBMUJFWSA-N	2	0	323.441	-1.168	20	0		DAADRP
[NH3+]CCN1CCC[C@@H](C(=O)NCCCN2CC[NH2+]CC2)C1=O	ZINC000911630032	663149702	/nfs/dbraw/zinc/14/97/02/663149702.db2.gz	MWRLZAHAIXAAAP-ZDUSSCGKSA-N	2	0	311.430	-1.405	20	0		DAADRP
O=C(CNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1	ZINC000911701861	663150391	/nfs/dbraw/zinc/15/03/91/663150391.db2.gz	GBNDMCMMVHPLTR-CQSZACIVSA-N	2	0	309.370	-1.567	20	0		DAADRP
CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000911703063	663150612	/nfs/dbraw/zinc/15/06/12/663150612.db2.gz	VBDIACBTMUEECA-UONOGXRCSA-N	2	0	323.441	-1.440	20	0		DAADRP
O=C(CNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1	ZINC000911701860	663150655	/nfs/dbraw/zinc/15/06/55/663150655.db2.gz	GBNDMCMMVHPLTR-AWEZNQCLSA-N	2	0	309.370	-1.567	20	0		DAADRP
CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000911703064	663150718	/nfs/dbraw/zinc/15/07/18/663150718.db2.gz	VBDIACBTMUEECA-ZIAGYGMSSA-N	2	0	323.441	-1.440	20	0		DAADRP
CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CCCN(CC[NH3+])C1=O	ZINC000911774853	663151347	/nfs/dbraw/zinc/15/13/47/663151347.db2.gz	LHYCKUARMRUFAF-CYBMUJFWSA-N	2	0	311.430	-1.453	20	0		DAADRP
C[NH+](C)C[C@H]1NC(=O)N(CCC[N@@H+]2CCC[C@H]2C(N)=O)C1=O	ZINC000925393187	663234074	/nfs/dbraw/zinc/23/40/74/663234074.db2.gz	NLRRRKHIPOTPOT-MNOVXSKESA-N	2	0	311.386	-1.192	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@H](CO)NC(=O)C[NH+]1CCCC1	ZINC000913918010	663238365	/nfs/dbraw/zinc/23/83/65/663238365.db2.gz	UIDIQBWMDBPJCR-CYBMUJFWSA-N	2	0	312.414	-1.229	20	0		DAADRP
NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1	ZINC000996622954	663489680	/nfs/dbraw/zinc/48/96/80/663489680.db2.gz	TYXQHACWHJBRRL-STQMWFEESA-N	2	0	310.398	-1.085	20	0		DAADRP
C[N@H+](CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C)CCOCCO	ZINC000922110127	663622487	/nfs/dbraw/zinc/62/24/87/663622487.db2.gz	WYXJZQKLVPLXDP-TZMCWYRMSA-N	2	0	303.403	-1.502	20	0		DAADRP
C[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1)CCOCCO	ZINC000922110927	663622560	/nfs/dbraw/zinc/62/25/60/663622560.db2.gz	SJKGWIAQUOEJPN-KGLIPLIRSA-N	2	0	315.414	-1.094	20	0		DAADRP
C[N@H+](CCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)CCOCCO	ZINC000922110124	663622619	/nfs/dbraw/zinc/62/26/19/663622619.db2.gz	WYXJZQKLVPLXDP-JSGCOSHPSA-N	2	0	303.403	-1.502	20	0		DAADRP
O[C@H]1C[NH+](Cc2ccc(C[NH+]3C[C@H](O)[C@@H](O)C3)cc2)C[C@@H]1O	ZINC000625712650	663658788	/nfs/dbraw/zinc/65/87/88/663658788.db2.gz	KBDWGVGZJWIHMF-VGWMRTNUSA-N	2	0	308.378	-1.239	20	0		DAADRP
O=C([C@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1)N1CC[NH2+]CC1	ZINC000923567862	663698727	/nfs/dbraw/zinc/69/87/27/663698727.db2.gz	WHUWXJMXSUSZTQ-NSHDSACASA-N	2	0	316.427	-1.568	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N2CCC(O)(C[NH2+][C@H]3CCNC3=O)CC2)C1	ZINC000946928630	663699469	/nfs/dbraw/zinc/69/94/69/663699469.db2.gz	UMPSLOBYIQDSLF-STQMWFEESA-N	2	0	324.425	-1.230	20	0		DAADRP
CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000804056437	663844709	/nfs/dbraw/zinc/84/47/09/663844709.db2.gz	KRQYSVBEBPTTFG-CHWSQXEVSA-N	2	0	312.414	-1.014	20	0		DAADRP
CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000804056438	663845109	/nfs/dbraw/zinc/84/51/09/663845109.db2.gz	KRQYSVBEBPTTFG-OLZOCXBDSA-N	2	0	312.414	-1.014	20	0		DAADRP
C[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH2+]1	ZINC000842163899	663876664	/nfs/dbraw/zinc/87/66/64/663876664.db2.gz	ALCMVLBGMGVJHQ-RWMBFGLXSA-N	2	0	310.398	-1.214	20	0		DAADRP
C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000842164745	663877109	/nfs/dbraw/zinc/87/71/09/663877109.db2.gz	NZJATXPEHKTLQH-YNEHKIRRSA-N	2	0	310.398	-1.214	20	0		DAADRP
[NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000848616663	663892561	/nfs/dbraw/zinc/89/25/61/663892561.db2.gz	QMTWJYNQSXWVJJ-CHWSQXEVSA-N	2	0	312.414	-1.101	20	0		DAADRP
O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000851685043	663896263	/nfs/dbraw/zinc/89/62/63/663896263.db2.gz	OVWOCTRWWYSHMP-BTJONVMOSA-N	2	0	322.409	-1.166	20	0		DAADRP
O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000851685053	663896372	/nfs/dbraw/zinc/89/63/72/663896372.db2.gz	OVWOCTRWWYSHMP-WULFKBJJSA-N	2	0	322.409	-1.166	20	0		DAADRP
CCOC(=O)N1CCN(C(=O)[C@@H](C)N(C)C[C@@H](O)C[NH3+])CC1	ZINC000852749574	663897628	/nfs/dbraw/zinc/89/76/28/663897628.db2.gz	AFFOUPZHLAYYFU-NEPJUHHUSA-N	2	0	316.402	-1.073	20	0		DAADRP
CCOC(=O)N1CCN(C(=O)[C@H](C)N(C)C[C@H](O)C[NH3+])CC1	ZINC000852749578	663897910	/nfs/dbraw/zinc/89/79/10/663897910.db2.gz	AFFOUPZHLAYYFU-NWDGAFQWSA-N	2	0	316.402	-1.073	20	0		DAADRP
NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C2=NO[C@@H](C[NH3+])C2)C1	ZINC000852863564	663898545	/nfs/dbraw/zinc/89/85/45/663898545.db2.gz	GZTRUNQMFZGJOP-GHMZBOCLSA-N	2	0	311.386	-1.206	20	0		DAADRP
NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C2=NO[C@H](C[NH3+])C2)C1	ZINC000852863573	663898573	/nfs/dbraw/zinc/89/85/73/663898573.db2.gz	GZTRUNQMFZGJOP-QWRGUYRKSA-N	2	0	311.386	-1.206	20	0		DAADRP
[NH3+]C[C@H]1CC(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)=NO1	ZINC000852793457	663898607	/nfs/dbraw/zinc/89/86/07/663898607.db2.gz	BJBDOQJPIOCNDI-NWDGAFQWSA-N	2	0	323.397	-1.240	20	0		DAADRP
[NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=NO[C@H](C[NH3+])C1	ZINC000852879529	663898893	/nfs/dbraw/zinc/89/88/93/663898893.db2.gz	WSMWGHQLMKEIPB-QWRGUYRKSA-N	2	0	311.386	-1.064	20	0		DAADRP
O=C(C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000868419061	663934115	/nfs/dbraw/zinc/93/41/15/663934115.db2.gz	UJKSOSVKVFCCNB-DGAVXFQQSA-N	2	0	322.409	-1.383	20	0		DAADRP
CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)C2C[NH2+]C2)CC1	ZINC000923606886	663935451	/nfs/dbraw/zinc/93/54/51/663935451.db2.gz	SDXIXIOZKAGIGJ-UHFFFAOYSA-N	2	0	318.443	-1.226	20	0		DAADRP
COCCN1CCN(S(=O)(=O)N2CC[NH2+]CC2)C[C@H]1C	ZINC000923613665	663936146	/nfs/dbraw/zinc/93/61/46/663936146.db2.gz	ZYVOBKWZKQWEQW-GFCCVEGCSA-N	2	0	306.432	-1.211	20	0		DAADRP
C[C@H](CNS(=O)(=O)N1CC[NH2+]CC1)N1CC[NH+](C)CC1	ZINC000923618844	663937063	/nfs/dbraw/zinc/93/70/63/663937063.db2.gz	VWXKVAFCJUVGBE-GFCCVEGCSA-N	2	0	305.448	-1.638	20	0		DAADRP
COC[C@H](CCC[NH3+])[NH2+]C[C@@]12COCCN1C(=O)COC2	ZINC000873265399	663941254	/nfs/dbraw/zinc/94/12/54/663941254.db2.gz	HPFOWDRNDUFAMF-JSGCOSHPSA-N	2	0	301.387	-1.042	20	0		DAADRP
COC[C@]1(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C[NH2+]CCO1	ZINC000876743288	663947095	/nfs/dbraw/zinc/94/70/95/663947095.db2.gz	BBLXGONGXQYYFK-IPYPFGDCSA-N	2	0	313.398	-1.029	20	0		DAADRP
COCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(COC)C[NH2+]CCO2)C1	ZINC000876754061	663947492	/nfs/dbraw/zinc/94/74/92/663947492.db2.gz	AXMHGFYQPWSJLL-TZMCWYRMSA-N	2	0	301.387	-1.172	20	0		DAADRP
CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1	ZINC000876751987	663947661	/nfs/dbraw/zinc/94/76/61/663947661.db2.gz	COQQKBNSPTZARG-ZDUSSCGKSA-N	2	0	313.446	-1.112	20	0		DAADRP
CC[NH+]1CCN(CCNC(=O)[C@@]2(COC)C[NH2+]CCO2)CC1	ZINC000876780062	663948552	/nfs/dbraw/zinc/94/85/52/663948552.db2.gz	BRXFURGCZQXMJF-HNNXBMFYSA-N	2	0	314.430	-1.255	20	0		DAADRP
COC[C@@]1(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C[NH2+]CCO1	ZINC000876782427	663948647	/nfs/dbraw/zinc/94/86/47/663948647.db2.gz	QQSMZGSXGJQHHD-DZGCQCFKSA-N	2	0	314.430	-1.257	20	0		DAADRP
O=C(N1CC[NH2+]CC1)N1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1	ZINC000876995346	663949493	/nfs/dbraw/zinc/94/94/93/663949493.db2.gz	RYHKQPBXOZDHTI-AWEZNQCLSA-N	2	0	313.377	-1.143	20	0		DAADRP
COC[C@@]1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C[NH2+]CCO1	ZINC000876971883	663949641	/nfs/dbraw/zinc/94/96/41/663949641.db2.gz	FMESZWCBMKSWEE-DZGCQCFKSA-N	2	0	312.414	-1.503	20	0		DAADRP
O[C@@H]1C[NH+](CC(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)C2CCCC2)C[C@@H]1O	ZINC000878159586	663951105	/nfs/dbraw/zinc/95/11/05/663951105.db2.gz	ZCJJQKKYZNAOSE-GEEKYZPCSA-N	2	0	314.426	-1.132	20	0		DAADRP
C[NH+]1CCN(C2CCN(S(=O)(=O)C3C[NH2+]C3)CC2)CC1	ZINC000923666764	663951163	/nfs/dbraw/zinc/95/11/63/663951163.db2.gz	OLVNOOGVUIGFNX-UHFFFAOYSA-N	2	0	302.444	-1.000	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC[C@@H]21	ZINC000884677197	663965670	/nfs/dbraw/zinc/96/56/70/663965670.db2.gz	KYRDAZFKPUWSIJ-KGLIPLIRSA-N	2	0	323.441	-1.440	20	0		DAADRP
CCN(C(=O)C(=O)NCCOCC[NH+](C)C)[C@H]1CC[NH2+]C1	ZINC000884662238	663965682	/nfs/dbraw/zinc/96/56/82/663965682.db2.gz	LDUMQUPZHODWQH-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC[C@H]21	ZINC000884677199	663965694	/nfs/dbraw/zinc/96/56/94/663965694.db2.gz	KYRDAZFKPUWSIJ-ZIAGYGMSSA-N	2	0	323.441	-1.440	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)C[C@H]1C[NH3+]	ZINC000884662005	663965827	/nfs/dbraw/zinc/96/58/27/663965827.db2.gz	FHTVTSQUCNLBLR-VXGBXAGGSA-N	2	0	300.403	-1.266	20	0		DAADRP
CN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1	ZINC000884598268	663965871	/nfs/dbraw/zinc/96/58/71/663965871.db2.gz	XDFZESAFJFQUTI-KBPBESRZSA-N	2	0	323.441	-1.297	20	0		DAADRP
[NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)N1CC[NH2+]CC1)CC2	ZINC000923687365	663966022	/nfs/dbraw/zinc/96/60/22/663966022.db2.gz	KKCMOUGBGUBAFJ-GFCCVEGCSA-N	2	0	318.443	-1.034	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)CC[C@@H]21	ZINC000884816195	663967583	/nfs/dbraw/zinc/96/75/83/663967583.db2.gz	WEYPVGBONSDKII-AGIUHOORSA-N	2	0	310.398	-1.356	20	0		DAADRP
CN(C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000926330971	663981912	/nfs/dbraw/zinc/98/19/12/663981912.db2.gz	CZBXYGLWHMZQKG-BBRMVZONSA-N	2	0	324.425	-1.006	20	0		DAADRP
C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1	ZINC000926327610	663981937	/nfs/dbraw/zinc/98/19/37/663981937.db2.gz	ZGLOLBQYFYOJQH-CYBMUJFWSA-N	2	0	311.430	-1.440	20	0		DAADRP
C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000926337489	663982179	/nfs/dbraw/zinc/98/21/79/663982179.db2.gz	PXVLAOMBNJOZQE-UONOGXRCSA-N	2	0	323.441	-1.297	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C[C@@H]1[NH+](C)C	ZINC000926341464	663982212	/nfs/dbraw/zinc/98/22/12/663982212.db2.gz	KLQWLXCORFOXEH-XUJVJEKNSA-N	2	0	312.414	-1.293	20	0		DAADRP
C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCO1	ZINC000926333820	663982242	/nfs/dbraw/zinc/98/22/42/663982242.db2.gz	KUDQOFOOKPPOMI-BFHYXJOUSA-N	2	0	324.425	-1.014	20	0		DAADRP
CN(C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000926330980	663982537	/nfs/dbraw/zinc/98/25/37/663982537.db2.gz	CZBXYGLWHMZQKG-CJNGLKHVSA-N	2	0	324.425	-1.006	20	0		DAADRP
CN(C(=O)C(=O)N1CCNCC[NH2+]CC1)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000926330508	663982844	/nfs/dbraw/zinc/98/28/44/663982844.db2.gz	AAURVDHLLDKCDJ-CQSZACIVSA-N	2	0	323.441	-1.297	20	0		DAADRP
C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CCO1	ZINC000926335848	663982854	/nfs/dbraw/zinc/98/28/54/663982854.db2.gz	VFEHUCAYMIHIJO-OLZOCXBDSA-N	2	0	312.414	-1.027	20	0		DAADRP
C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCO1	ZINC000926332879	663982893	/nfs/dbraw/zinc/98/28/93/663982893.db2.gz	HKWQIKUHQIMKMF-BFHYXJOUSA-N	2	0	324.425	-1.157	20	0		DAADRP
C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1C[NH3+]	ZINC000926385913	663982995	/nfs/dbraw/zinc/98/29/95/663982995.db2.gz	AQQVHPKOSDPVMD-XDQVBPFNSA-N	2	0	324.425	-1.293	20	0		DAADRP
O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1	ZINC000926387985	663983788	/nfs/dbraw/zinc/98/37/88/663983788.db2.gz	VUNYYXZMEVFHHD-RFQIPJPRSA-N	2	0	322.409	-1.668	20	0		DAADRP
C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2	ZINC000926440524	663984392	/nfs/dbraw/zinc/98/43/92/663984392.db2.gz	SAGICOQKJRMQHN-WOSRLPQWSA-N	2	0	324.425	-1.088	20	0		DAADRP
C[C@H](CNC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000929313393	663987544	/nfs/dbraw/zinc/98/75/44/663987544.db2.gz	WXGNBBLNAAMDJD-LJIZCISZSA-N	2	0	321.469	-1.207	20	0		DAADRP
CN1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000929882030	663988651	/nfs/dbraw/zinc/98/86/51/663988651.db2.gz	POQHVHWPTJAWMQ-FRRDWIJNSA-N	2	0	310.398	-1.214	20	0		DAADRP
COCC[N@H+](C)C[C@H](O)CN1CC[C@@H](CS(N)(=O)=O)C1	ZINC000932948807	664000173	/nfs/dbraw/zinc/00/01/73/664000173.db2.gz	UENMEBGYFPHALW-NEPJUHHUSA-N	2	0	309.432	-1.464	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1	ZINC000963453035	664390888	/nfs/dbraw/zinc/39/08/88/664390888.db2.gz	RPFUPEFVWZUZAW-RDBSUJKOSA-N	2	0	324.425	-1.136	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)C1	ZINC000963512815	664391982	/nfs/dbraw/zinc/39/19/82/664391982.db2.gz	AAHQGGAZQNNAST-MJBXVCDLSA-N	2	0	324.425	-1.278	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1	ZINC000967923720	664467787	/nfs/dbraw/zinc/46/77/87/664467787.db2.gz	BPIPXDXNGMIYAV-NEPJUHHUSA-N	2	0	323.397	-1.177	20	0		DAADRP
C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)n1	ZINC000968719301	664485436	/nfs/dbraw/zinc/48/54/36/664485436.db2.gz	PWJIZUZLEXKRMP-LLVKDONJSA-N	2	0	308.386	-1.266	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1	ZINC001018630931	664588062	/nfs/dbraw/zinc/58/80/62/664588062.db2.gz	BPIPXDXNGMIYAV-RYUDHWBXSA-N	2	0	323.397	-1.177	20	0		DAADRP
C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001058707839	677687001	/nfs/dbraw/zinc/68/70/01/677687001.db2.gz	PWUXFSOPNMPICR-ZDUSSCGKSA-N	2	0	314.430	-1.031	20	0		DAADRP
C[NH+](C)CCC(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1	ZINC001058710618	677687121	/nfs/dbraw/zinc/68/71/21/677687121.db2.gz	IDGHPDBZFAOWJM-UHFFFAOYSA-N	2	0	314.430	-1.029	20	0		DAADRP
C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O	ZINC000912992919	677821345	/nfs/dbraw/zinc/82/13/45/677821345.db2.gz	OIPQWUVENOYSGS-XUJVJEKNSA-N	2	0	312.414	-1.103	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1	ZINC001082923486	678120169	/nfs/dbraw/zinc/12/01/69/678120169.db2.gz	LMOAOZFGFWXUKZ-FRRDWIJNSA-N	2	0	312.414	-1.124	20	0		DAADRP
C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001074755610	678203935	/nfs/dbraw/zinc/20/39/35/678203935.db2.gz	NQFQDXQREJTLGX-JRWADXHSSA-N	2	0	322.409	-1.086	20	0		DAADRP
C[NH+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1	ZINC001043114760	678365414	/nfs/dbraw/zinc/36/54/14/678365414.db2.gz	ARVHYKZYVHALTG-STQMWFEESA-N	2	0	324.425	-1.278	20	0		DAADRP
C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1	ZINC001043115884	678366066	/nfs/dbraw/zinc/36/60/66/678366066.db2.gz	KXWCCIAPKJPTDB-GFCCVEGCSA-N	2	0	312.414	-1.421	20	0		DAADRP
O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1	ZINC001043127225	678367200	/nfs/dbraw/zinc/36/72/00/678367200.db2.gz	GUGAZTZGNPYTCI-UHFFFAOYSA-N	2	0	324.425	-1.133	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1	ZINC001043123885	678367207	/nfs/dbraw/zinc/36/72/07/678367207.db2.gz	JQOWUFVVTWQVGB-ZDUSSCGKSA-N	2	0	324.425	-1.134	20	0		DAADRP
C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1	ZINC001043123738	678367369	/nfs/dbraw/zinc/36/73/69/678367369.db2.gz	IDPGXEJNOVZUFO-UHFFFAOYSA-N	2	0	312.414	-1.277	20	0		DAADRP
C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001044022714	678409603	/nfs/dbraw/zinc/40/96/03/678409603.db2.gz	AFZQPOCQTMFTTA-UHFFFAOYSA-N	2	0	324.425	-1.277	20	0		DAADRP
C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001045713368	678469535	/nfs/dbraw/zinc/46/95/35/678469535.db2.gz	DSJILLGVAVQNTO-UHFFFAOYSA-N	2	0	324.425	-1.277	20	0		DAADRP
C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1	ZINC001045710131	678469692	/nfs/dbraw/zinc/46/96/92/678469692.db2.gz	CFSRASHIXJVUDT-GFCCVEGCSA-N	2	0	312.414	-1.278	20	0		DAADRP
CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1	ZINC001045716549	678470003	/nfs/dbraw/zinc/47/00/03/678470003.db2.gz	JURPSIPRFXXZRD-UHFFFAOYSA-N	2	0	314.430	-1.031	20	0		DAADRP
C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)CCc2c[nH]cn2)C1	ZINC001045719917	678470065	/nfs/dbraw/zinc/47/00/65/678470065.db2.gz	GBIMDVCYQYYJEK-UHFFFAOYSA-N	2	0	323.397	-1.017	20	0		DAADRP
C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1	ZINC001055633438	678643478	/nfs/dbraw/zinc/64/34/78/678643478.db2.gz	OFUYRLXSGYLOEL-UHFFFAOYSA-N	2	0	313.402	-1.880	20	0		DAADRP
C[NH+](C)CCC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1	ZINC001057641005	678734929	/nfs/dbraw/zinc/73/49/29/678734929.db2.gz	SNACSICCODCURB-UHFFFAOYSA-N	2	0	314.430	-1.029	20	0		DAADRP
O=C(N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2	ZINC001051904491	678778706	/nfs/dbraw/zinc/77/87/06/678778706.db2.gz	OOFCNHYEIBJMFV-CHWSQXEVSA-N	2	0	322.409	-1.212	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2n2ccnn2)C1	ZINC001070097449	678854825	/nfs/dbraw/zinc/85/48/25/678854825.db2.gz	SKMGYUGZENPTBH-MCIONIFRSA-N	2	0	322.413	-1.046	20	0		DAADRP
COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1	ZINC000390742997	678859859	/nfs/dbraw/zinc/85/98/59/678859859.db2.gz	SKENVBVSEAXIRW-KBPBESRZSA-N	2	0	316.446	-1.288	20	0		DAADRP
CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)[NH+](C)C	ZINC001070277175	678864021	/nfs/dbraw/zinc/86/40/21/678864021.db2.gz	HYACYTDIKFYFHL-WOPDTQHZSA-N	2	0	323.401	-1.555	20	0		DAADRP
CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)[NH+](C)C	ZINC001070276609	678864086	/nfs/dbraw/zinc/86/40/86/678864086.db2.gz	POYBBIGXDXLFMQ-AGIUHOORSA-N	2	0	310.402	-1.048	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1	ZINC001070326989	678864549	/nfs/dbraw/zinc/86/45/49/678864549.db2.gz	MYMADPAQPFUTNC-UPJWGTAASA-N	2	0	308.386	-1.436	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1	ZINC001070327130	678864593	/nfs/dbraw/zinc/86/45/93/678864593.db2.gz	TYWXYEZXAIALBO-UTUOFQBUSA-N	2	0	321.385	-1.943	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1	ZINC001070327129	678864639	/nfs/dbraw/zinc/86/46/39/678864639.db2.gz	TYWXYEZXAIALBO-TUAOUCFPSA-N	2	0	321.385	-1.943	20	0		DAADRP
C[NH+](C)CCOCC(=O)N1CCCO[C@H](C[NH2+]CCO)C1	ZINC001201864280	782222096	/nfs/dbraw/zinc/22/20/96/782222096.db2.gz	VGVOZIIBNZSUGT-CYBMUJFWSA-N	2	0	303.403	-1.236	20	0		DAADRP
CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)[C@@H](n2ccnn2)C1	ZINC001069905748	782435488	/nfs/dbraw/zinc/43/54/88/782435488.db2.gz	NLICHMMYMWLEFW-FRRDWIJNSA-N	2	0	308.386	-1.030	20	0		DAADRP
C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O	ZINC001099975263	782519717	/nfs/dbraw/zinc/51/97/17/782519717.db2.gz	ZVBFNTOBCSDELD-UONOGXRCSA-N	2	0	317.430	-1.112	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O	ZINC001099986854	782524175	/nfs/dbraw/zinc/52/41/75/782524175.db2.gz	QFJPHMHGGFGROT-QWHCGFSZSA-N	2	0	303.403	-1.502	20	0		DAADRP
O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O	ZINC001100109488	782554351	/nfs/dbraw/zinc/55/43/51/782554351.db2.gz	GFRSSZTXPCMORQ-KBPBESRZSA-N	2	0	315.414	-1.358	20	0		DAADRP
CNC(=O)C[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1	ZINC001100867342	782586429	/nfs/dbraw/zinc/58/64/29/782586429.db2.gz	QMEDHUFHUMPKLM-UHFFFAOYSA-N	2	0	300.403	-1.205	20	0		DAADRP
CNC(=O)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1	ZINC001102510958	782617257	/nfs/dbraw/zinc/61/72/57/782617257.db2.gz	CTJAQBACVYPFAL-CHWSQXEVSA-N	2	0	314.430	-1.005	20	0		DAADRP
C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CC[NH+](C)C	ZINC001102318621	782614480	/nfs/dbraw/zinc/61/44/80/782614480.db2.gz	BEMBWFQSIYELMI-GHMZBOCLSA-N	2	0	313.402	-1.183	20	0		DAADRP
C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21	ZINC001115125870	782643602	/nfs/dbraw/zinc/64/36/02/782643602.db2.gz	DGHYEJBDBWONAI-NHAGDIPZSA-N	2	0	315.414	-1.380	20	0		DAADRP
C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21	ZINC001115126373	782643762	/nfs/dbraw/zinc/64/37/62/782643762.db2.gz	MXAIGXBNAJJZIU-SFDCQRBFSA-N	2	0	324.425	-1.110	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1	ZINC001118089329	782702752	/nfs/dbraw/zinc/70/27/52/782702752.db2.gz	UWZQJCJHUKUXEQ-GFCCVEGCSA-N	2	0	308.448	-1.876	20	0		DAADRP
[NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC001118325769	782713901	/nfs/dbraw/zinc/71/39/01/782713901.db2.gz	JZSHYLMQZBMCPV-QNWHQSFQSA-N	2	0	310.398	-1.493	20	0		DAADRP
[NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC001118325770	782714303	/nfs/dbraw/zinc/71/43/03/782714303.db2.gz	JZSHYLMQZBMCPV-ZDEQEGDKSA-N	2	0	310.398	-1.493	20	0		DAADRP
C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1	ZINC001118867321	782737454	/nfs/dbraw/zinc/73/74/54/782737454.db2.gz	KFYIEHWTRLJEKF-CYBMUJFWSA-N	2	0	313.446	-1.064	20	0		DAADRP
C[C@H](NC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C1=CC[N@H+](C)CC1	ZINC001118867638	782737863	/nfs/dbraw/zinc/73/78/63/782737863.db2.gz	NBEBNMSKGRQVLW-AAEUAGOBSA-N	2	0	310.398	-1.142	20	0		DAADRP
NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CN2CC[NH2+]CC2)C1	ZINC001119236885	782750980	/nfs/dbraw/zinc/75/09/80/782750980.db2.gz	HYOQISAMKNERMI-CYBMUJFWSA-N	2	0	311.430	-1.405	20	0		DAADRP
NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CN2CC[NH2+]CC2)C1	ZINC001119236886	782751341	/nfs/dbraw/zinc/75/13/41/782751341.db2.gz	HYOQISAMKNERMI-ZDUSSCGKSA-N	2	0	311.430	-1.405	20	0		DAADRP
CNC(=O)C[NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1	ZINC001210678239	775154372	/nfs/dbraw/zinc/15/43/72/775154372.db2.gz	RPWBJSQPUMEDNA-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1	ZINC001210678235	775155406	/nfs/dbraw/zinc/15/54/06/775155406.db2.gz	RPWBJSQPUMEDNA-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
NC(=O)C[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC001098562525	775200795	/nfs/dbraw/zinc/20/07/95/775200795.db2.gz	YQDXVLYUFODQKG-UHFFFAOYSA-N	2	0	312.414	-1.147	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001267072392	775201262	/nfs/dbraw/zinc/20/12/62/775201262.db2.gz	YKVVQSSGGSKZJG-LBPRGKRZSA-N	2	0	320.459	-1.075	20	0		DAADRP
CC[C@H](C(=O)N(C)CC[NH2+]CC(=O)NC(=O)NC)[NH+](C)C	ZINC001267390645	775234210	/nfs/dbraw/zinc/23/42/10/775234210.db2.gz	RUYAAMSTSVPHKV-SNVBAGLBSA-N	2	0	301.391	-1.170	20	0		DAADRP
CN(CC[NH2+]CC(N)=O)C(=O)C(C)(C)C[NH+]1CCOCC1	ZINC001267390707	775235482	/nfs/dbraw/zinc/23/54/82/775235482.db2.gz	OAWGFXOZTLLEKN-UHFFFAOYSA-N	2	0	300.403	-1.122	20	0		DAADRP
C[C@@H]1C[NH2+]C[C@H](CNC(=O)CN(CC[NH3+])S(C)(=O)=O)C1	ZINC001219646266	775271386	/nfs/dbraw/zinc/27/13/86/775271386.db2.gz	RBEQPSJKUGZUJJ-WDEREUQCSA-N	2	0	306.432	-1.432	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)N[C@@H]1COCCC12OCCO2	ZINC001220172788	775274085	/nfs/dbraw/zinc/27/40/85/775274085.db2.gz	BKBIJCWQRBXFRI-VHSXEESVSA-N	2	0	305.400	-1.346	20	0		DAADRP
Cc1cncn1CC(=O)N1CC(n2cc(CNCCO)nn2)C1	ZINC001105283649	775300109	/nfs/dbraw/zinc/30/01/09/775300109.db2.gz	QWEWCZVKJSKHIE-UHFFFAOYSA-N	2	0	319.369	-1.052	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCNS(C)(=O)=O	ZINC001268315524	775366771	/nfs/dbraw/zinc/36/67/71/775366771.db2.gz	BZMWWHBICWOHKA-WDEREUQCSA-N	2	0	322.431	-2.304	20	0		DAADRP
C[C@@H]([NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O	ZINC001268626229	775408819	/nfs/dbraw/zinc/40/88/19/775408819.db2.gz	ZQMDUDYMEAEBNA-OTDNITJGSA-N	2	0	311.386	-1.072	20	0		DAADRP
CC[C@@H](C(=O)N[C@H](C)C[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C	ZINC001268670059	775414879	/nfs/dbraw/zinc/41/48/79/775414879.db2.gz	RMEUKKMPAABHEF-MNOVXSKESA-N	2	0	313.402	-1.027	20	0		DAADRP
CC[N@H+](C)CC(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2	ZINC001269095777	775441515	/nfs/dbraw/zinc/44/15/15/775441515.db2.gz	VRHSFCVTDDCWTK-UHFFFAOYSA-N	2	0	312.414	-1.061	20	0		DAADRP
C[C@@H](C(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2)[NH+](C)C	ZINC001269797087	775477958	/nfs/dbraw/zinc/47/79/58/775477958.db2.gz	PLLYRRHLWFMCJE-LBPRGKRZSA-N	2	0	312.414	-1.062	20	0		DAADRP
CN(CCOCC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001284877640	775488481	/nfs/dbraw/zinc/48/84/81/775488481.db2.gz	HFJKDYNSQUWVOP-QWHCGFSZSA-N	2	0	312.414	-1.109	20	0		DAADRP
C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CCN1CC(N)=O	ZINC001088757222	775655748	/nfs/dbraw/zinc/65/57/48/775655748.db2.gz	OFPSONJEGJWWNV-FAZPBVIHSA-N	2	0	322.409	-1.086	20	0		DAADRP
CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001272226492	775657159	/nfs/dbraw/zinc/65/71/59/775657159.db2.gz	WEYJSOPSYAWPDV-GFCCVEGCSA-N	2	0	300.403	-1.373	20	0		DAADRP
C[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)N1CC[NH+](C)CC1	ZINC001120574902	775733592	/nfs/dbraw/zinc/73/35/92/775733592.db2.gz	SGRXSORCUWCUIN-HZPDHXFCSA-N	3	0	313.490	-1.180	20	0		DAADRP
C[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)N1CC[NH+](C)CC1	ZINC001120574903	775733813	/nfs/dbraw/zinc/73/38/13/775733813.db2.gz	SGRXSORCUWCUIN-JKSUJKDBSA-N	3	0	313.490	-1.180	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1	ZINC001127254190	775763771	/nfs/dbraw/zinc/76/37/71/775763771.db2.gz	CZMFZHJMTJNNLU-GHMZBOCLSA-N	2	0	311.386	-1.239	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O	ZINC001272566623	775778296	/nfs/dbraw/zinc/77/82/96/775778296.db2.gz	ABYATGTXKIVOBD-MNOVXSKESA-N	2	0	314.386	-1.800	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]CCN1CCCC1=O	ZINC001272583818	775783412	/nfs/dbraw/zinc/78/34/12/775783412.db2.gz	KPTXOPQRAKTTTJ-CYBMUJFWSA-N	2	0	312.414	-1.229	20	0		DAADRP
O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1C[NH+]2CCC1CC2	ZINC001127479671	775807219	/nfs/dbraw/zinc/80/72/19/775807219.db2.gz	DWBDVOJPPHKHDT-LBPRGKRZSA-N	2	0	323.397	-1.414	20	0		DAADRP
O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@H]1C[NH+]2CCC1CC2	ZINC001127479720	775807313	/nfs/dbraw/zinc/80/73/13/775807313.db2.gz	GVXPRLXGNHWNHV-NWDGAFQWSA-N	2	0	308.382	-1.161	20	0		DAADRP
O=C(C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)N1CCOCC1	ZINC001127473696	775807577	/nfs/dbraw/zinc/80/75/77/775807577.db2.gz	COERMGJWSHCRID-AWEZNQCLSA-N	2	0	324.425	-1.107	20	0		DAADRP
COC[C@H](O)C[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1	ZINC001127558185	775811253	/nfs/dbraw/zinc/81/12/53/775811253.db2.gz	GOWRASMQKHEHDG-GFCCVEGCSA-N	2	0	313.402	-1.229	20	0		DAADRP
C[NH+](C)CCn1ccc(C(=O)NCC[NH2+]CCOCCO)n1	ZINC001127558067	775812900	/nfs/dbraw/zinc/81/29/00/775812900.db2.gz	BBBQZDJOUKGYAV-UHFFFAOYSA-N	2	0	313.402	-1.227	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1	ZINC001127562959	775813005	/nfs/dbraw/zinc/81/30/05/775813005.db2.gz	QBRLXPLKSCOMLM-LLVKDONJSA-N	2	0	310.402	-1.101	20	0		DAADRP
CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001124838697	775829817	/nfs/dbraw/zinc/82/98/17/775829817.db2.gz	YRHSTGGUVFYODN-LBPRGKRZSA-N	2	0	300.403	-1.061	20	0		DAADRP
Cn1c(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)cc(=O)n(C)c1=O	ZINC001124867417	775831851	/nfs/dbraw/zinc/83/18/51/775831851.db2.gz	VPUHOGNIAWLFLU-GFCCVEGCSA-N	2	0	323.397	-1.616	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O	ZINC001124879323	775832280	/nfs/dbraw/zinc/83/22/80/775832280.db2.gz	RJKDQFOIBDVEAA-QWHCGFSZSA-N	2	0	312.414	-1.230	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O	ZINC001124873555	775832441	/nfs/dbraw/zinc/83/24/41/775832441.db2.gz	YAXDWQXUBLRGAV-GFCCVEGCSA-N	2	0	318.443	-1.178	20	0		DAADRP
CCOC(=O)CC1(NS(=O)(=O)C2CC[NH2+]CC2)C[NH2+]C1	ZINC001238529257	775847729	/nfs/dbraw/zinc/84/77/29/775847729.db2.gz	XVPLCWATKOLXCL-UHFFFAOYSA-N	2	0	305.400	-1.047	20	0		DAADRP
O=C(C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CC1	ZINC001127777784	775861114	/nfs/dbraw/zinc/86/11/14/775861114.db2.gz	BQNARQAIKAHUHT-CHWSQXEVSA-N	2	0	310.398	-1.166	20	0		DAADRP
O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC1	ZINC001127779325	775863044	/nfs/dbraw/zinc/86/30/44/775863044.db2.gz	LGPWOCAJQIEOQF-OLZOCXBDSA-N	2	0	310.398	-1.212	20	0		DAADRP
O=C(NCC[NH2+]CCOCCO)[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001127778869	775863320	/nfs/dbraw/zinc/86/33/20/775863320.db2.gz	HHVJXGXAKZNQOQ-CHWSQXEVSA-N	2	0	301.387	-1.436	20	0		DAADRP
O=C(NCC[NH2+]CCn1cncn1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001127784752	775864687	/nfs/dbraw/zinc/86/46/87/775864687.db2.gz	BBCLYPQSIQOVAU-STQMWFEESA-N	2	0	308.386	-1.153	20	0		DAADRP
O=C(NCC[NH2+]CCn1cncn1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001127784747	775865013	/nfs/dbraw/zinc/86/50/13/775865013.db2.gz	BBCLYPQSIQOVAU-OLZOCXBDSA-N	2	0	308.386	-1.153	20	0		DAADRP
O=S(=O)([C@H]1CC[NH2+]C1)N1CCO[C@]2(C1)C[NH2+]CCOC2	ZINC001239023698	775868261	/nfs/dbraw/zinc/86/82/61/775868261.db2.gz	SXWFMONCVHQZSY-RYUDHWBXSA-N	2	0	305.400	-1.631	20	0		DAADRP
COc1c(C2C[NH2+]C2)ncnc1N(C)S(=O)(=O)CC[NH3+]	ZINC001164292554	776115980	/nfs/dbraw/zinc/11/59/80/776115980.db2.gz	QTBVFJVXQQSFKQ-UHFFFAOYSA-N	2	0	301.372	-1.103	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O	ZINC001099986935	776217087	/nfs/dbraw/zinc/21/70/87/776217087.db2.gz	RJDCZCVEDHXLNE-STQMWFEESA-N	2	0	310.402	-1.219	20	0		DAADRP
CC(C)C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1	ZINC001129329098	776256796	/nfs/dbraw/zinc/25/67/96/776256796.db2.gz	URRNRIAJSAWGPW-NSHDSACASA-N	2	0	313.402	-1.135	20	0		DAADRP
C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O	ZINC001100073420	776258137	/nfs/dbraw/zinc/25/81/37/776258137.db2.gz	CPJYQJHWXVIOLD-STQMWFEESA-N	2	0	303.403	-1.502	20	0		DAADRP
CN(c1cncc(N2CC[NH2+]CC2)n1)S(=O)(=O)CC[NH3+]	ZINC001156236107	776281793	/nfs/dbraw/zinc/28/17/93/776281793.db2.gz	FIXJGPJUVSVSNS-UHFFFAOYSA-N	2	0	300.388	-1.389	20	0		DAADRP
CN(c1ccnc(N2CCN(C)CC2)n1)S(=O)(=O)CC[NH3+]	ZINC001156240920	776283974	/nfs/dbraw/zinc/28/39/74/776283974.db2.gz	ZURXFRHTMXQEQU-UHFFFAOYSA-N	2	0	314.415	-1.047	20	0		DAADRP
[NH3+][C@@H](CO)Cc1cncn1-c1nccnc1N1CC[NH2+]CC1	ZINC001169066791	776284860	/nfs/dbraw/zinc/28/48/60/776284860.db2.gz	JNAVNWZSJBDPAO-LLVKDONJSA-N	2	0	303.370	-1.066	20	0		DAADRP
[NH3+]CCCC[C@H](NC(=O)C[C@H]([NH3+])CO)C(=O)N1CCCC1	ZINC001157380191	776384995	/nfs/dbraw/zinc/38/49/95/776384995.db2.gz	ZAPXFQHRMGVVTO-RYUDHWBXSA-N	2	0	300.403	-1.068	20	0		DAADRP
CNC(=O)C[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1	ZINC001098466642	776408750	/nfs/dbraw/zinc/40/87/50/776408750.db2.gz	PZEKVIWAPXCTCT-UHFFFAOYSA-N	2	0	314.430	-1.031	20	0		DAADRP
CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2	ZINC001157716994	776428288	/nfs/dbraw/zinc/42/82/88/776428288.db2.gz	VYWWJGHPNCGZIV-WDEREUQCSA-N	2	0	317.411	-1.790	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC[C@](F)(C[NH3+])CC1	ZINC001157743895	776437865	/nfs/dbraw/zinc/43/78/65/776437865.db2.gz	IAMHTOAJNLIEOG-GFCCVEGCSA-N	2	0	324.422	-1.114	20	0		DAADRP
C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCOCC1)C1CC1	ZINC001129436473	776470361	/nfs/dbraw/zinc/47/03/61/776470361.db2.gz	PKYMFIPVBIRPHB-CQSZACIVSA-N	2	0	312.414	-1.109	20	0		DAADRP
C[NH+](C)[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)C1CC1	ZINC001129444009	776470770	/nfs/dbraw/zinc/47/07/70/776470770.db2.gz	OIDRIKFCFXYNBV-GFCCVEGCSA-N	2	0	311.386	-1.416	20	0		DAADRP
CC(C)[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)[NH+](C)C	ZINC001129949929	776487062	/nfs/dbraw/zinc/48/70/62/776487062.db2.gz	KJEKCVIEAQNART-NSHDSACASA-N	2	0	308.448	-1.172	20	0		DAADRP
C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1)C(N)=O	ZINC001129992089	776489727	/nfs/dbraw/zinc/48/97/27/776489727.db2.gz	KTASEZRPEIAKSZ-TUAOUCFPSA-N	2	0	323.401	-1.555	20	0		DAADRP
C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1	ZINC001129992028	776489874	/nfs/dbraw/zinc/48/98/74/776489874.db2.gz	IQKBNJFAXLVYKK-UPJWGTAASA-N	2	0	310.402	-1.048	20	0		DAADRP
CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1	ZINC001130075118	776493067	/nfs/dbraw/zinc/49/30/67/776493067.db2.gz	MFTJZWVANXHUCT-OLZOCXBDSA-N	2	0	310.402	-1.046	20	0		DAADRP
CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1	ZINC001130107562	776494498	/nfs/dbraw/zinc/49/44/98/776494498.db2.gz	QZQJRNXZIGZLNS-NEPJUHHUSA-N	2	0	323.401	-1.553	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21	ZINC001130186927	776497905	/nfs/dbraw/zinc/49/79/05/776497905.db2.gz	MMEFVKVQOHKPFP-GHMZBOCLSA-N	2	0	311.386	-1.096	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21	ZINC001130186929	776497942	/nfs/dbraw/zinc/49/79/42/776497942.db2.gz	MMEFVKVQOHKPFP-QWRGUYRKSA-N	2	0	311.386	-1.096	20	0		DAADRP
CC[C@H](C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)[NH+](C)C	ZINC001130197732	776498136	/nfs/dbraw/zinc/49/81/36/776498136.db2.gz	OGVBAXWSNFSESZ-LLVKDONJSA-N	2	0	313.402	-2.009	20	0		DAADRP
C[C@]1(CO)CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C[C@H]1O	ZINC001157946905	776504735	/nfs/dbraw/zinc/50/47/35/776504735.db2.gz	POGFRYUPPHYYSY-GZBFAFLISA-N	2	0	314.430	-1.671	20	0		DAADRP
C[C@]1(CO)CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC[C@@H]1O	ZINC001157946467	776506837	/nfs/dbraw/zinc/50/68/37/776506837.db2.gz	NKBBPDZZASYGEJ-VNHYZAJKSA-N	2	0	314.430	-1.671	20	0		DAADRP
CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O	ZINC001130427941	776509865	/nfs/dbraw/zinc/50/98/65/776509865.db2.gz	WDLMKAJIQREPTM-UHFFFAOYSA-N	2	0	313.402	-1.026	20	0		DAADRP
CN(CCC(=O)NCC[NH2+]CC(=O)NC(N)=O)c1cc[nH+]cc1	ZINC001130556461	776516494	/nfs/dbraw/zinc/51/64/94/776516494.db2.gz	JASJFEJZQCUZQW-UHFFFAOYSA-N	2	0	322.369	-1.191	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1	ZINC001131370706	776567894	/nfs/dbraw/zinc/56/78/94/776567894.db2.gz	SJEAOEFJRSBXIF-UHFFFAOYSA-N	2	0	304.310	-1.151	20	0		DAADRP
O=C(NCC[NH2+]CCn1cncn1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131521989	776571238	/nfs/dbraw/zinc/57/12/38/776571238.db2.gz	ODZPRTSJLKUHTB-JVWICGRDSA-N	2	0	320.397	-1.153	20	0		DAADRP
O=C(NCC[NH2+][C@@H]1CCNC1=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131519280	776571286	/nfs/dbraw/zinc/57/12/86/776571286.db2.gz	CJYFPSKBUGUPGY-OOLXCHQQSA-N	2	0	308.382	-1.556	20	0		DAADRP
O=C(NCC[NH2+]CCOCCO)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131519299	776573239	/nfs/dbraw/zinc/57/32/39/776573239.db2.gz	CSYSHRVKGYVXOC-OWYJLGKBSA-N	2	0	313.398	-1.436	20	0		DAADRP
CN1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O	ZINC001131521531	776574630	/nfs/dbraw/zinc/57/46/30/776574630.db2.gz	ANKWMBQVYXAHCI-BWAOXVRWSA-N	2	0	322.409	-1.214	20	0		DAADRP
COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131519427	776574926	/nfs/dbraw/zinc/57/49/26/776574926.db2.gz	FETZJAHCEVZWRQ-FMPXUHTOSA-N	2	0	313.398	-1.437	20	0		DAADRP
O=C(NCC[NH2+][C@@H]1CCCNC1=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131520238	776575113	/nfs/dbraw/zinc/57/51/13/776575113.db2.gz	VQKGBMKFQKATSA-LGESCRJUSA-N	2	0	322.409	-1.166	20	0		DAADRP
COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1	ZINC001132848845	776642275	/nfs/dbraw/zinc/64/22/75/776642275.db2.gz	TZGMJWQMDHWAGJ-STQMWFEESA-N	2	0	303.403	-1.191	20	0		DAADRP
C[C@H]1C[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)CC[N@@H+]1C	ZINC001132892817	776645403	/nfs/dbraw/zinc/64/54/03/776645403.db2.gz	BJCITNLUIWYNRC-RYUDHWBXSA-N	2	0	320.459	-1.028	20	0		DAADRP
C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)CC[NH+](C)C)CCO1	ZINC001133291187	776664235	/nfs/dbraw/zinc/66/42/35/776664235.db2.gz	KWMBLUNGIHAJPF-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
Cn1c(C[NH2+]CCNC(=O)CC[NH+](C)C)cc(=O)n(C)c1=O	ZINC001133294780	776665320	/nfs/dbraw/zinc/66/53/20/776665320.db2.gz	UANSYOXPZVKQFR-UHFFFAOYSA-N	2	0	311.386	-1.759	20	0		DAADRP
C[C@@H](NC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C)C(=O)N(C)C	ZINC001133294708	776665908	/nfs/dbraw/zinc/66/59/08/776665908.db2.gz	QFFWVMIIOXLYFD-LLVKDONJSA-N	2	0	315.418	-1.763	20	0		DAADRP
C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CCNS(C)(=O)=O	ZINC001133823973	776678430	/nfs/dbraw/zinc/67/84/30/776678430.db2.gz	USFQIGUPOZTNPN-NSHDSACASA-N	2	0	306.432	-1.274	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C	ZINC001133863780	776680336	/nfs/dbraw/zinc/68/03/36/776680336.db2.gz	PFCZPEYRELPTDW-NEPJUHHUSA-N	2	0	320.459	-1.171	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001133849677	776680768	/nfs/dbraw/zinc/68/07/68/776680768.db2.gz	BSTFLVNEJAQXMX-GFCCVEGCSA-N	2	0	320.459	-1.027	20	0		DAADRP
C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O	ZINC001133871215	776681109	/nfs/dbraw/zinc/68/11/09/776681109.db2.gz	YQALWLFKYFHNBQ-RYUDHWBXSA-N	2	0	320.459	-1.219	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001133850124	776681311	/nfs/dbraw/zinc/68/13/11/776681311.db2.gz	JIXIWWWABGPEOE-WDEREUQCSA-N	2	0	313.402	-1.122	20	0		DAADRP
C[NH+](C)CCn1cc(C(=O)NCC[NH2+][C@@H]2CCNC2=O)cn1	ZINC001135118414	776737306	/nfs/dbraw/zinc/73/73/06/776737306.db2.gz	MDEKFYORHUAYMJ-GFCCVEGCSA-N	2	0	308.386	-1.347	20	0		DAADRP
CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1	ZINC001135511568	776760564	/nfs/dbraw/zinc/76/05/64/776760564.db2.gz	SYQYQISTYSTFKL-UHFFFAOYSA-N	2	0	313.402	-2.008	20	0		DAADRP
O=C([C@@H]1C[C@@H](NC[C@@H]2C[NH2+]CCO2)C[NH2+]1)N1CCSC1	ZINC001246088091	776786874	/nfs/dbraw/zinc/78/68/74/776786874.db2.gz	ISAQNXKCHXOJNA-WOPDTQHZSA-N	2	0	300.428	-1.172	20	0		DAADRP
CC1(C)CC[N@H+](CC(=O)N[C@H]2CCN(CC(N)=O)C[C@@H]2O)C1	ZINC001090573502	776791739	/nfs/dbraw/zinc/79/17/39/776791739.db2.gz	MWSXLWLOGKHHFY-RYUDHWBXSA-N	2	0	312.414	-1.245	20	0		DAADRP
CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCN(CC(N)=O)C[C@H]2O)C1	ZINC001090573504	776792287	/nfs/dbraw/zinc/79/22/87/776792287.db2.gz	MWSXLWLOGKHHFY-VXGBXAGGSA-N	2	0	312.414	-1.245	20	0		DAADRP
O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O	ZINC001090818900	776856837	/nfs/dbraw/zinc/85/68/37/776856837.db2.gz	XLZMVTFLCVWQHW-ZIAGYGMSSA-N	2	0	322.413	-1.075	20	0		DAADRP
C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1	ZINC001119634176	779510559	/nfs/dbraw/zinc/51/05/59/779510559.db2.gz	BELAMPIHYDYPKW-ZDUSSCGKSA-N	2	0	311.430	-1.582	20	0		DAADRP
[NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1	ZINC001120456338	779522278	/nfs/dbraw/zinc/52/22/78/779522278.db2.gz	UIMJZRWZHYASJM-SYQHCUMBSA-N	2	0	324.425	-1.103	20	0		DAADRP
[NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1	ZINC001120456336	779522550	/nfs/dbraw/zinc/52/25/50/779522550.db2.gz	UIMJZRWZHYASJM-AAVRWANBSA-N	2	0	324.425	-1.103	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1	ZINC001120514988	779523820	/nfs/dbraw/zinc/52/38/20/779523820.db2.gz	MBGXGEVKWUQCCG-OLZOCXBDSA-N	2	0	311.430	-1.454	20	0		DAADRP
C[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)C[NH+]1CCN(C)CC1	ZINC001120524345	779525159	/nfs/dbraw/zinc/52/51/59/779525159.db2.gz	JBTDZIRKLBSKBQ-GFCCVEGCSA-N	2	0	311.430	-1.406	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1	ZINC001124867165	779604301	/nfs/dbraw/zinc/60/43/01/779604301.db2.gz	STVTUHLWQRLTIX-QWHCGFSZSA-N	2	0	312.414	-1.061	20	0		DAADRP
C[NH+](C)CCOCC(=O)NC[C@@H]1C[N@H+](CCO)CCCO1	ZINC001150587990	779663674	/nfs/dbraw/zinc/66/36/74/779663674.db2.gz	LHLXIJSVNXLBDI-CYBMUJFWSA-N	2	0	303.403	-1.236	20	0		DAADRP
CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001151048998	779668958	/nfs/dbraw/zinc/66/89/58/779668958.db2.gz	GNNDBMRHOSMKLX-NSHDSACASA-N	2	0	313.402	-1.120	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)NC1CC1	ZINC001151159914	779672366	/nfs/dbraw/zinc/67/23/66/779672366.db2.gz	VIZLWQMRVBLMKV-LBPRGKRZSA-N	2	0	312.414	-1.061	20	0		DAADRP
CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1	ZINC001151159472	779672737	/nfs/dbraw/zinc/67/27/37/779672737.db2.gz	UCYOLIABUVTNQQ-LBPRGKRZSA-N	2	0	300.403	-1.203	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCS(C)(=O)=O	ZINC001151156442	779673335	/nfs/dbraw/zinc/67/33/35/779673335.db2.gz	CQHOOWBICIUXII-LBPRGKRZSA-N	2	0	321.443	-1.295	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@H]1CCN(C)C1=O	ZINC001151159273	779673450	/nfs/dbraw/zinc/67/34/50/779673450.db2.gz	RIGAUUQHGTVQCV-OLZOCXBDSA-N	2	0	312.414	-1.109	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O	ZINC001155811708	779735910	/nfs/dbraw/zinc/73/59/10/779735910.db2.gz	JEGZVQLCBVBFHJ-LLVKDONJSA-N	2	0	306.432	-1.274	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O	ZINC001155813053	779736345	/nfs/dbraw/zinc/73/63/45/779736345.db2.gz	QVLCGVXAQQFQGH-NSHDSACASA-N	2	0	311.386	-1.272	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1NC(=O)CC12C[NH2+]C2	ZINC001157323081	779751860	/nfs/dbraw/zinc/75/18/60/779751860.db2.gz	LKWSXAHJBVBGHI-ONGXEEELSA-N	2	0	311.386	-2.176	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21	ZINC001157337089	779752127	/nfs/dbraw/zinc/75/21/27/779752127.db2.gz	UJLBDYPZHCFDCE-RNJOBUHISA-N	2	0	312.414	-1.029	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@@H]1OC(C)=O	ZINC001157335936	779752250	/nfs/dbraw/zinc/75/22/50/779752250.db2.gz	MEIXBBYNFDKMFA-WOPDTQHZSA-N	2	0	314.386	-1.503	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@]1(C)CC[NH2+]C[C@@H]1O	ZINC001157323693	779752343	/nfs/dbraw/zinc/75/23/43/779752343.db2.gz	VQMFCELYKDQSGK-COPLHBTASA-N	2	0	300.403	-1.293	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]C[C@@H]1OC(C)=O	ZINC001157335935	779752543	/nfs/dbraw/zinc/75/25/43/779752543.db2.gz	MEIXBBYNFDKMFA-SRVKXCTJSA-N	2	0	314.386	-1.503	20	0		DAADRP
[NH3+]CCCC[C@H](NC(=O)[C@H]1[NH2+]CC[C@H]1O)C(=O)N1CCCC1	ZINC001157386451	779753758	/nfs/dbraw/zinc/75/37/58/779753758.db2.gz	MHSXUUFQRQEIPJ-XQQFMLRXSA-N	2	0	312.414	-1.055	20	0		DAADRP
[NH3+]CCCC[C@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C(=O)N1CCCC1	ZINC001157371272	779753771	/nfs/dbraw/zinc/75/37/71/779753771.db2.gz	RSXVYCMCDOIILU-FRRDWIJNSA-N	2	0	312.414	-1.055	20	0		DAADRP
O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC001157498239	779755779	/nfs/dbraw/zinc/75/57/79/779755779.db2.gz	YFNKVGLSVZUGKY-OLZOCXBDSA-N	2	0	322.409	-1.355	20	0		DAADRP
C[N@@H+]1C[C@@H](C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)OC2(CC[NH2+]CC2)C1	ZINC001157536215	779756323	/nfs/dbraw/zinc/75/63/23/779756323.db2.gz	IVIIZOFESGDXGJ-WOPDTQHZSA-N	3	0	300.378	-1.053	20	0		DAADRP
CN(C[C@H]1C[NH2+]CCO1)C(=O)CN(CC[NH3+])S(C)(=O)=O	ZINC001157715146	779756882	/nfs/dbraw/zinc/75/68/82/779756882.db2.gz	BUYKFFBNRZBTIS-SNVBAGLBSA-N	2	0	308.404	-2.347	20	0		DAADRP
CN(C[C@H]1C[NH2+]CCO1)C(=O)c1cnc(N2CC[NH2+]CC2)cn1	ZINC001157720416	779757903	/nfs/dbraw/zinc/75/79/03/779757903.db2.gz	IRRMAAQMJZSGPW-GFCCVEGCSA-N	2	0	320.397	-1.053	20	0		DAADRP
CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001157716173	779757952	/nfs/dbraw/zinc/75/79/52/779757952.db2.gz	MEWNOMOMRRLHOT-NWDGAFQWSA-N	2	0	310.398	-1.451	20	0		DAADRP
CC1([NH3+])CN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1	ZINC001157633212	779757963	/nfs/dbraw/zinc/75/79/63/779757963.db2.gz	LGMDWZUMOXUKNV-JTQLQIEISA-N	2	0	301.412	-1.040	20	0		DAADRP
C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)CN(CC[NH3+])S(C)(=O)=O	ZINC001157841530	779759112	/nfs/dbraw/zinc/75/91/12/779759112.db2.gz	GKZNBFDRSBLTPW-MNOVXSKESA-N	2	0	306.432	-1.208	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)N1CC(=O)N(C2CC2)C(=O)C1	ZINC001157862825	779760002	/nfs/dbraw/zinc/76/00/02/779760002.db2.gz	LTWOGJCZLGJVLT-VIFPVBQESA-N	2	0	300.384	-1.635	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H](CO)[C@H](O)C1	ZINC001157906019	779761870	/nfs/dbraw/zinc/76/18/70/779761870.db2.gz	YPOYNRRCFZPCFQ-WCFLWFBJSA-N	2	0	300.403	-2.062	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H](CO)[C@@H](O)C1	ZINC001157906017	779761882	/nfs/dbraw/zinc/76/18/82/779761882.db2.gz	YPOYNRRCFZPCFQ-DRZSPHRISA-N	2	0	300.403	-2.062	20	0		DAADRP
COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001158013054	779764861	/nfs/dbraw/zinc/76/48/61/779764861.db2.gz	BKVUGMARCHHXCH-DLOVCJGASA-N	2	0	316.377	-1.151	20	0		DAADRP
O=C([C@H]1C[NH2+]Cc2ccnn2C1)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158091372	779765699	/nfs/dbraw/zinc/76/56/99/779765699.db2.gz	BUDUXMROOQBHRA-NHYWBVRUSA-N	2	0	318.381	-1.707	20	0		DAADRP
O=C(C1=NO[C@]2(CC[NH2+]C2)C1)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158091928	779765812	/nfs/dbraw/zinc/76/58/12/779765812.db2.gz	KKVZMQCLIXOJJE-ZIAGYGMSSA-N	2	0	307.354	-1.815	20	0		DAADRP
O=C(N1CC(=O)NC[C@]12CC[NH2+]C2)[C@@]12CCCO[C@@H]1CC[NH2+]C2	ZINC001158092227	779765835	/nfs/dbraw/zinc/76/58/35/779765835.db2.gz	MHHPJVSTIKLCKK-DAXOMENPSA-N	2	0	322.409	-1.164	20	0		DAADRP
O=C([C@@H]1COC2(C1)CC[NH2+]CC2)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158091719	779765900	/nfs/dbraw/zinc/76/59/00/779765900.db2.gz	HCHOMALHGOHAJO-WFASDCNBSA-N	2	0	322.409	-1.164	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCOC2(CC[NH2+]CC2)C1	ZINC001158076363	779766033	/nfs/dbraw/zinc/76/60/33/779766033.db2.gz	GLTRIIJYFOHXKY-QWRGUYRKSA-N	2	0	314.386	-2.208	20	0		DAADRP
O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158093926	779766118	/nfs/dbraw/zinc/76/61/18/779766118.db2.gz	YSAUCPCAAKDBCD-GXFFZTMASA-N	2	0	309.370	-2.993	20	0		DAADRP
[NH3+][C@@H](Cc1cccc(O)c1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158092171	779766136	/nfs/dbraw/zinc/76/61/36/779766136.db2.gz	LRHAJWGTCKMXNI-BBRMVZONSA-N	2	0	318.377	-1.048	20	0		DAADRP
NC(=O)NCCC[C@H]([NH3+])C(=O)N1CCOC2(CC[NH2+]CC2)C1	ZINC001158071151	779766145	/nfs/dbraw/zinc/76/61/45/779766145.db2.gz	WVXMLTSOXCXSAX-NSHDSACASA-N	2	0	313.402	-1.257	20	0		DAADRP
O=C([C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158091814	779766181	/nfs/dbraw/zinc/76/61/81/779766181.db2.gz	IAHMHBJDXSBRLU-UUIJZJDISA-N	2	0	308.382	-1.556	20	0		DAADRP
C[NH2+][C@H]1CCCN(CC(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)C1	ZINC001158102913	779766663	/nfs/dbraw/zinc/76/66/63/779766663.db2.gz	XZMQXZOCIBFZML-SWLSCSKDSA-N	2	0	309.414	-1.639	20	0		DAADRP
[NH3+]CCOCCOCC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158100732	779766775	/nfs/dbraw/zinc/76/67/75/779766775.db2.gz	BFQWUOFKFGILAD-CYBMUJFWSA-N	2	0	300.359	-2.331	20	0		DAADRP
O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158111010	779767022	/nfs/dbraw/zinc/76/70/22/779767022.db2.gz	JDTZEMAPPXEZBI-BDJLRTHQSA-N	3	0	319.409	-2.267	20	0		DAADRP
CC(C)(C)[N@@H+]1CCN[C@H](C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)C1	ZINC001158102722	779767067	/nfs/dbraw/zinc/76/70/67/779767067.db2.gz	WDGRSBJQQHFMGK-LRDDRELGSA-N	2	0	323.441	-1.251	20	0		DAADRP
[NH3+][C@H](C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)C1CCC(O)CC1	ZINC001158100717	779767181	/nfs/dbraw/zinc/76/71/81/779767181.db2.gz	AZTYLPSJSYYQNV-JTEKXYAQSA-N	2	0	310.398	-1.445	20	0		DAADRP
CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)C1	ZINC001158102723	779767208	/nfs/dbraw/zinc/76/72/08/779767208.db2.gz	WDGRSBJQQHFMGK-MLGOLLRUSA-N	2	0	323.441	-1.251	20	0		DAADRP
O=C(C[C@H]1C[NH2+]CC1(F)F)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158101019	779767253	/nfs/dbraw/zinc/76/72/53/779767253.db2.gz	FUAVJRVWURXWRP-CABZTGNLSA-N	2	0	302.325	-1.078	20	0		DAADRP
C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158103053	779767406	/nfs/dbraw/zinc/76/74/06/779767406.db2.gz	ZZIHTWXHEXGOAM-GWUBFIHGSA-N	2	0	302.400	-2.227	20	0		DAADRP
CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158102898	779767447	/nfs/dbraw/zinc/76/74/47/779767447.db2.gz	XSIUPOVCVMJWOW-WDMOLILDSA-N	2	0	310.354	-2.172	20	0		DAADRP
[NH3+][C@@H](Cn1cccn1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158111228	779768260	/nfs/dbraw/zinc/76/82/60/779768260.db2.gz	LRPHOEOGNVYJRH-XHDPSFHLSA-N	2	0	318.381	-1.852	20	0		DAADRP
[NH3+]CCNC(=O)/C=C/C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158111945	779768466	/nfs/dbraw/zinc/76/84/66/779768466.db2.gz	SXIGTVCWDFPFPQ-BGTMTDRBSA-N	2	0	321.381	-2.444	20	0		DAADRP
CN1CC[NH2+]C[C@@H]1C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158118828	779768617	/nfs/dbraw/zinc/76/86/17/779768617.db2.gz	DQHXXBUEYWAHNI-ABAIWWIYSA-N	2	0	307.398	-2.172	20	0		DAADRP
O=C(COC1CC[NH2+]CC1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158119876	779768664	/nfs/dbraw/zinc/76/86/64/779768664.db2.gz	IIHGYWACQVCUFP-MRXNPFEDSA-N	2	0	322.409	-1.307	20	0		DAADRP
[NH3+][C@H](C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)C1CC[NH2+]CC1	ZINC001158120354	779768672	/nfs/dbraw/zinc/76/86/72/779768672.db2.gz	LDXIAIXYHFKBFW-LRDDRELGSA-N	3	0	321.425	-1.749	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158118631	779768747	/nfs/dbraw/zinc/76/87/47/779768747.db2.gz	CBINUVQNWGVDBE-AMJWSMQMSA-N	2	0	323.397	-2.224	20	0		DAADRP
NC(=[NH2+])NCCCCC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158119893	779768756	/nfs/dbraw/zinc/76/87/56/779768756.db2.gz	IXOJKOXUBFLENX-HNNXBMFYSA-N	2	0	322.413	-1.422	20	0		DAADRP
O=C(CN1CC[NH2+]CC1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158118778	779768778	/nfs/dbraw/zinc/76/87/78/779768778.db2.gz	DIRVZGUFFMQCPJ-OAHLLOKOSA-N	2	0	307.398	-2.170	20	0		DAADRP
O=C(C[C@@]1(O)CCC[NH2+]C1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158111761	779768896	/nfs/dbraw/zinc/76/88/96/779768896.db2.gz	RLJLIGJCYUJOSC-HOTGVXAUSA-N	2	0	322.409	-1.571	20	0		DAADRP
[NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158118565	779768921	/nfs/dbraw/zinc/76/89/21/779768921.db2.gz	AORXDOLWVKKBNV-BLLLJJGKSA-N	3	0	323.441	-1.229	20	0		DAADRP
O=C(CN1CC[NH2+]CC1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158118775	779768925	/nfs/dbraw/zinc/76/89/25/779768925.db2.gz	DIRVZGUFFMQCPJ-HNNXBMFYSA-N	2	0	307.398	-2.170	20	0		DAADRP
O=C(C[C@@]1(O)CCC[NH2+]C1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158111765	779768950	/nfs/dbraw/zinc/76/89/50/779768950.db2.gz	RLJLIGJCYUJOSC-JKSUJKDBSA-N	2	0	322.409	-1.571	20	0		DAADRP
[NH3+][C@@H](CC(F)F)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158121482	779769550	/nfs/dbraw/zinc/76/95/50/779769550.db2.gz	UUWCVZURXSQCIV-SDBXPKJASA-N	2	0	302.325	-1.093	20	0		DAADRP
[NH3+]C1(CC(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CCOCC1	ZINC001158121938	779769577	/nfs/dbraw/zinc/76/95/77/779769577.db2.gz	YMHWCGWHNJYDFJ-INIZCTEOSA-N	2	0	322.409	-1.178	20	0		DAADRP
O=C(C[C@H]1COCC[NH2+]1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158120603	779770039	/nfs/dbraw/zinc/77/00/39/779770039.db2.gz	OJJIUQPVIJGRAW-XHDPSFHLSA-N	2	0	308.382	-1.697	20	0		DAADRP
CO[C@@H]1CC[NH2+][C@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C1	ZINC001158121613	779770062	/nfs/dbraw/zinc/77/00/62/779770062.db2.gz	VHXYHONGCNXNCP-BFQNTYOBSA-N	2	0	322.409	-1.309	20	0		DAADRP
O=C(C1CC2(C[NH2+]C2)C1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158120964	779770158	/nfs/dbraw/zinc/77/01/58/779770158.db2.gz	QFSPQHWXIMMGTN-MRXNPFEDSA-N	2	0	304.394	-1.076	20	0		DAADRP
CO[C@@H]1CC[NH2+][C@@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C1	ZINC001158121614	779770210	/nfs/dbraw/zinc/77/02/10/779770210.db2.gz	VHXYHONGCNXNCP-HSMVNMDESA-N	2	0	322.409	-1.309	20	0		DAADRP
O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC[C@@H]2[NH2+]CC[C@H]21	ZINC001158192648	779771106	/nfs/dbraw/zinc/77/11/06/779771106.db2.gz	CJQZMONAHAHLGA-GRYCIOLGSA-N	2	0	317.397	-1.113	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1	ZINC001158166951	779771440	/nfs/dbraw/zinc/77/14/40/779771440.db2.gz	FGLMHMGCHDZASZ-GHMZBOCLSA-N	2	0	320.415	-2.347	20	0		DAADRP
O=C([C@@H]1C[NH2+]CC[C@H]1O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158260019	779772936	/nfs/dbraw/zinc/77/29/36/779772936.db2.gz	ASWRCCNBRVAJAK-VXGBXAGGSA-N	2	0	320.397	-1.331	20	0		DAADRP
O=C([C@H]1C[NH2+]CCN1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158277681	779772942	/nfs/dbraw/zinc/77/29/42/779772942.db2.gz	RTWAAMHOEJEXBJ-LLVKDONJSA-N	2	0	305.386	-1.740	20	0		DAADRP
CC(=O)OC[C@H]([NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158260488	779773081	/nfs/dbraw/zinc/77/30/81/779773081.db2.gz	DMEWYGREPBBNCZ-NSHDSACASA-N	2	0	322.369	-1.411	20	0		DAADRP
[NH3+][C@@H](C(=O)N1CCC2(CC1)COCC(=O)N2)C1CC[NH2+]CC1	ZINC001158326659	779773930	/nfs/dbraw/zinc/77/39/30/779773930.db2.gz	KDYPZMQTCPCQOO-CYBMUJFWSA-N	2	0	310.398	-1.179	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC[C@@H]2[NH2+]C[C@H]21)C(N)=O	ZINC001158421079	779775159	/nfs/dbraw/zinc/77/51/59/779775159.db2.gz	CBYXRVFSCGPDKS-UKKRHICBSA-N	2	0	311.386	-1.953	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001158428781	779775843	/nfs/dbraw/zinc/77/58/43/779775843.db2.gz	RZSJZULOWJSGEC-GHMZBOCLSA-N	2	0	313.402	-1.122	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1C[NH2+]CCN1C	ZINC001158505825	779776805	/nfs/dbraw/zinc/77/68/05/779776805.db2.gz	FVIXKKTYAPRIJM-WUHRBBMRSA-N	2	0	310.398	-1.358	20	0		DAADRP
[NH3+]CCNC(=O)/C=C/C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3	ZINC001158533223	779776951	/nfs/dbraw/zinc/77/69/51/779776951.db2.gz	IRXXGYNODGBZDP-LTHOTVHMSA-N	2	0	308.382	-1.403	20	0		DAADRP
[NH3+]CCOCCOCC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3	ZINC001158532965	779777018	/nfs/dbraw/zinc/77/70/18/779777018.db2.gz	GBRHZFTUSRFXSO-GZBFAFLISA-N	2	0	313.398	-1.042	20	0		DAADRP
O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3	ZINC001158533356	779777154	/nfs/dbraw/zinc/77/71/54/779777154.db2.gz	KSDVHEXOMVZCGV-RRGRKSGHSA-N	2	0	306.410	-1.084	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@]1(N)CCC[NH2+]C1	ZINC001158498221	779777245	/nfs/dbraw/zinc/77/72/45/779777245.db2.gz	MUASPBBYPWQANY-OHTBPHCPSA-N	2	0	310.398	-1.181	20	0		DAADRP
[NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3	ZINC001158545657	779777841	/nfs/dbraw/zinc/77/78/41/779777841.db2.gz	HRJXGMQBPNGYJF-RSUWNVLCSA-N	2	0	322.409	-1.085	20	0		DAADRP
[NH3+]C1([C@@H]2CN(C(=O)[C@H]3NC(=O)CC34C[NH2+]C4)C[C@H]2CF)CC1	ZINC001158567172	779778034	/nfs/dbraw/zinc/77/80/34/779778034.db2.gz	FMYJDCLSODJQEX-CKYFFXLPSA-N	2	0	310.373	-1.000	20	0		DAADRP
O=C([C@@H]1NC(=O)CC12C[NH2+]C2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3	ZINC001158535977	779778106	/nfs/dbraw/zinc/77/81/06/779778106.db2.gz	ZYRWVXPQDVRYCA-RLSLPTNOSA-N	2	0	320.393	-1.556	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3	ZINC001158548771	779778164	/nfs/dbraw/zinc/77/81/64/779778164.db2.gz	ZFNQPRCRACPUQM-KZVDOYCCSA-N	3	0	314.455	-1.015	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1	ZINC001158579425	779778263	/nfs/dbraw/zinc/77/82/63/779778263.db2.gz	SPLRTISFTMTJSG-MMWGEVLESA-N	2	0	316.377	-1.654	20	0		DAADRP
O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3	ZINC001158535639	779778336	/nfs/dbraw/zinc/77/83/36/779778336.db2.gz	YLGWMYFRABOJOF-BRXULGCHSA-N	2	0	322.409	-1.704	20	0		DAADRP
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)CC2	ZINC001158890818	779781808	/nfs/dbraw/zinc/78/18/08/779781808.db2.gz	NXIDLLVRJCLIPY-OLZOCXBDSA-N	2	0	324.425	-1.230	20	0		DAADRP
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1C[C@@H]([NH3+])CN1)CC2	ZINC001158890250	779781959	/nfs/dbraw/zinc/78/19/59/779781959.db2.gz	BWNBYKZTGGRQTA-OLZOCXBDSA-N	2	0	323.441	-1.121	20	0		DAADRP
C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@H]2C[NH2+]C[C@@H]2N)C1	ZINC001159133507	779787764	/nfs/dbraw/zinc/78/77/64/779787764.db2.gz	JFUBKQFGPNPFDO-AGIUHOORSA-N	2	0	306.414	-1.050	20	0		DAADRP
C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[NH2+]CCN2)C1	ZINC001159134313	779788409	/nfs/dbraw/zinc/78/84/09/779788409.db2.gz	MIHFKCHNOKHDOM-STQMWFEESA-N	2	0	306.414	-1.036	20	0		DAADRP
N[C@@H](C[NH3+])C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1	ZINC001159403647	779794203	/nfs/dbraw/zinc/79/42/03/779794203.db2.gz	QZPKFJUYFMTMLU-ZDEQEGDKSA-N	2	0	320.397	-1.280	20	0		DAADRP
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)C[C@H](O)C[NH3+])CC[C@@H]2C1	ZINC001159635371	779795183	/nfs/dbraw/zinc/79/51/83/779795183.db2.gz	MHNBRSONQPNLJO-HZSPNIEDSA-N	2	0	315.414	-1.108	20	0		DAADRP
CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)C[NH2+]CCC[NH3+])C2	ZINC001160172379	779801600	/nfs/dbraw/zinc/80/16/00/779801600.db2.gz	DFRAYFZEBSJQHB-CQSZACIVSA-N	2	0	311.386	-2.126	20	0		DAADRP
C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H](N)C[NH3+])CCC2	ZINC001160373373	779804577	/nfs/dbraw/zinc/80/45/77/779804577.db2.gz	ZDMPNJLHSQBKGD-LBPRGKRZSA-N	2	0	324.429	-1.020	20	0		DAADRP
O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CC[NH+](C2CCOCC2)CC1	ZINC001160491168	779807636	/nfs/dbraw/zinc/80/76/36/779807636.db2.gz	VPSUOUDBJUSQBT-CQSZACIVSA-N	2	0	324.425	-1.360	20	0		DAADRP
COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@H]([NH3+])CCC[NH3+]	ZINC001160494275	779809359	/nfs/dbraw/zinc/80/93/59/779809359.db2.gz	RZXBEILJWNJPNU-KHQFGBGNSA-N	2	0	319.383	-1.331	20	0		DAADRP
COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CCC[NH3+]	ZINC001160494279	779809556	/nfs/dbraw/zinc/80/95/56/779809556.db2.gz	RZXBEILJWNJPNU-OYNCUSHFSA-N	2	0	319.383	-1.331	20	0		DAADRP
N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1	ZINC001160539424	779810706	/nfs/dbraw/zinc/81/07/06/779810706.db2.gz	SNDNUPLHMCGXCI-JQWIXIFHSA-N	2	0	318.381	-1.242	20	0		DAADRP
CC[NH+]1CCC(N(C)C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC1	ZINC001160537388	779811342	/nfs/dbraw/zinc/81/13/42/779811342.db2.gz	KDJAUYBKVRPTAF-JQWIXIFHSA-N	2	0	300.403	-1.247	20	0		DAADRP
COC(=O)C[C@@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CCO1	ZINC001160595497	779811944	/nfs/dbraw/zinc/81/19/44/779811944.db2.gz	CPGWTRYUCMNXOF-ZJUUUORDSA-N	2	0	305.400	-1.204	20	0		DAADRP
CCOC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CCO1	ZINC001160595566	779812231	/nfs/dbraw/zinc/81/22/31/779812231.db2.gz	FKHRPZLFXTWEEI-UWVGGRQHSA-N	2	0	305.400	-1.204	20	0		DAADRP
COC(=O)C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCO1	ZINC001160596496	779812286	/nfs/dbraw/zinc/81/22/86/779812286.db2.gz	QDZODSMGNPPNLK-LALPHHSUSA-N	2	0	311.382	-1.024	20	0		DAADRP
CCOC(=O)[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCO1	ZINC001160596250	779812558	/nfs/dbraw/zinc/81/25/58/779812558.db2.gz	DWLYMIGJURIARX-TYNCELHUSA-N	2	0	311.382	-1.024	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)N1CCc2[nH]c(=O)[nH]c(=O)c2C1	ZINC001160640765	779813068	/nfs/dbraw/zinc/81/30/68/779813068.db2.gz	OUNSMFMLLBPWKT-QMMMGPOBSA-N	2	0	313.383	-1.208	20	0		DAADRP
CN1CCN(C2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C2)CC1=O	ZINC001160637247	779813615	/nfs/dbraw/zinc/81/36/15/779813615.db2.gz	SJNLWNKQMUVBNN-LBPRGKRZSA-N	2	0	307.398	-2.220	20	0		DAADRP
CN1CCN(C2CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C2)CC1=O	ZINC001160637604	779813732	/nfs/dbraw/zinc/81/37/32/779813732.db2.gz	UIZDPYKTZAXTED-LBPRGKRZSA-N	2	0	311.430	-1.182	20	0		DAADRP
O=C(N1CCc2[nH]c(=O)[nH]c(=O)c2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001160641018	779814454	/nfs/dbraw/zinc/81/44/54/779814454.db2.gz	UMOABTDTEALADD-RFAUZJTJSA-N	2	0	319.365	-1.028	20	0		DAADRP
[NH3+][C@@H]1CCN(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)C[C@H]1O	ZINC001160653219	779814864	/nfs/dbraw/zinc/81/48/64/779814864.db2.gz	ZAULSZLBHNEWFB-QJPTWQEYSA-N	2	0	320.397	-1.550	20	0		DAADRP
CS(=O)(=O)NC1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1	ZINC001160657458	779815336	/nfs/dbraw/zinc/81/53/36/779815336.db2.gz	JEWXGKDFNIBHPL-BXKDBHETSA-N	2	0	302.400	-2.055	20	0		DAADRP
[NH3+]C[C@H]1CN(C(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)CCO1	ZINC001160643557	779815348	/nfs/dbraw/zinc/81/53/48/779815348.db2.gz	IUZBPWVONFKICR-NWDGAFQWSA-N	2	0	320.397	-1.285	20	0		DAADRP
[NH3+]C[C@H]1CN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)CCO1	ZINC001160644183	779815593	/nfs/dbraw/zinc/81/55/93/779815593.db2.gz	WEHGKHQQVLQWJY-WDEREUQCSA-N	2	0	321.385	-1.890	20	0		DAADRP
CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCO[C@@H](C[NH3+])C1	ZINC001160644910	779815661	/nfs/dbraw/zinc/81/56/61/779815661.db2.gz	JDQTXMKLDQBRTK-QWRGUYRKSA-N	2	0	316.402	-1.569	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1	ZINC001160705189	779816107	/nfs/dbraw/zinc/81/61/07/779816107.db2.gz	UNLIJAUHKSWBOK-MMWGEVLESA-N	2	0	311.386	-2.286	20	0		DAADRP
CN(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C1CCS(=O)(=O)CC1	ZINC001160718621	779816484	/nfs/dbraw/zinc/81/64/84/779816484.db2.gz	NTYLHPRIEKXAQG-NSHDSACASA-N	2	0	301.412	-1.169	20	0		DAADRP
CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1	ZINC001160746275	779816636	/nfs/dbraw/zinc/81/66/36/779816636.db2.gz	FHCMSNBDLNJYJO-CHWSQXEVSA-N	2	0	324.425	-1.061	20	0		DAADRP
CCNC(=O)CO[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1	ZINC001160746278	779816656	/nfs/dbraw/zinc/81/66/56/779816656.db2.gz	FHCMSNBDLNJYJO-STQMWFEESA-N	2	0	324.425	-1.061	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(C)CC[NH+]1CCCC1	ZINC001160689415	779816970	/nfs/dbraw/zinc/81/69/70/779816970.db2.gz	WHDZJMSCZQQEMK-QWRGUYRKSA-N	2	0	313.402	-1.752	20	0		DAADRP
CN(C[C@H]1CCC[NH2+]C1)C(=O)CN(CC[NH3+])S(C)(=O)=O	ZINC001160695720	779817267	/nfs/dbraw/zinc/81/72/67/779817267.db2.gz	PJEGBSQQEIFEJT-NSHDSACASA-N	2	0	306.432	-1.335	20	0		DAADRP
O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC1)CNC(=O)CO2	ZINC001160771566	779817815	/nfs/dbraw/zinc/81/78/15/779817815.db2.gz	AGBLVFSENSXTAK-NSHDSACASA-N	2	0	308.382	-1.697	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCOC[C@@H]1C[NH+](C)C	ZINC001160837574	779819394	/nfs/dbraw/zinc/81/93/94/779819394.db2.gz	BRFOCRJISPMHSJ-DCAQKATOSA-N	2	0	302.375	-2.400	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@](C)([NH3+])CO)C[C@H]1C2	ZINC001160791960	779819472	/nfs/dbraw/zinc/81/94/72/779819472.db2.gz	JMHKZPJLSBRIPQ-QPTZUFNXSA-N	2	0	311.382	-1.447	20	0		DAADRP
CCOC(=O)[C@]12CN(C(=O)[C@@H]([NH2+]C)[C@@H](C)O)C[C@H]1C[NH2+]CC2	ZINC001160812137	779819545	/nfs/dbraw/zinc/81/95/45/779819545.db2.gz	HKLDSQDFLXHYPA-MCYUEQNJSA-N	2	0	313.398	-1.044	20	0		DAADRP
CCOC(=O)[C@]12CN(C(=O)[C@H]3C[NH2+]C[C@H]3O)C[C@H]1C[NH2+]CC2	ZINC001160812280	779819680	/nfs/dbraw/zinc/81/96/80/779819680.db2.gz	MOILFXKWHSZDRM-NWJSVONSSA-N	2	0	311.382	-1.432	20	0		DAADRP
CCOC(=O)[C@]12CN(C(=O)CN3CC[NH2+]CC3)C[C@H]1C[NH2+]CC2	ZINC001160811676	779819855	/nfs/dbraw/zinc/81/98/55/779819855.db2.gz	SZOFZYLSMFSCPR-CZUORRHYSA-N	2	0	324.425	-1.107	20	0		DAADRP
COC[C@H]([NH3+])C(=O)N1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1	ZINC001160791891	779819868	/nfs/dbraw/zinc/81/98/68/779819868.db2.gz	HDIRLBAZMGXBBJ-TVEHIPJCSA-N	2	0	311.382	-1.183	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[NH2+]CCC[NH3+])C[C@H]1C2	ZINC001160794789	779819892	/nfs/dbraw/zinc/81/98/92/779819892.db2.gz	QVSNKRIQQDVWHU-IATRGZMQSA-N	3	0	324.425	-1.218	20	0		DAADRP
CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[C@H]([NH3+])CN3)C[C@H]1C[NH2+]CC2	ZINC001160811984	779819924	/nfs/dbraw/zinc/81/99/24/779819924.db2.gz	CINYVCRTHSWYLM-OXJKWZBOSA-N	2	0	310.398	-1.323	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)CNCC[NH3+])C[C@H]1C2	ZINC001160797061	779819954	/nfs/dbraw/zinc/81/99/54/779819954.db2.gz	IDWJDOOFIVFXLZ-ZAZJYDDPSA-N	2	0	310.398	-1.608	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[NH2+]CCO3)C[C@H]1C2	ZINC001160791699	779820027	/nfs/dbraw/zinc/82/00/27/779820027.db2.gz	ACNFBCRMFAKYHV-CRQFQMBKSA-N	2	0	323.393	-1.168	20	0		DAADRP
CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)C[C@H]1C[NH2+]CC2	ZINC001160812279	779820071	/nfs/dbraw/zinc/82/00/71/779820071.db2.gz	MOILFXKWHSZDRM-MCYUEQNJSA-N	2	0	311.382	-1.432	20	0		DAADRP
CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@H]1C[NH2+]CC2	ZINC001160810838	779820177	/nfs/dbraw/zinc/82/01/77/779820177.db2.gz	IBWJAJAAVWGXBK-OXJKWZBOSA-N	2	0	311.382	-1.290	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@]3(N)CC[NH2+]C3)C[C@H]1C2	ZINC001160794220	779820185	/nfs/dbraw/zinc/82/01/85/779820185.db2.gz	MNJLVGKVTYVGMI-ZNZZXWJUSA-N	2	0	322.409	-1.466	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[C@H]([NH3+])CO)C[C@H]1C2	ZINC001160795719	779820212	/nfs/dbraw/zinc/82/02/12/779820212.db2.gz	YNCUKWZLPILVQM-KYSMWIMPSA-N	2	0	311.382	-1.447	20	0		DAADRP
CCOC(=O)[C@]12CN(C(=O)CN(C)C(N)=[NH2+])C[C@H]1C[NH2+]CC2	ZINC001160806711	779820218	/nfs/dbraw/zinc/82/02/18/779820218.db2.gz	ZCZGVFPJLZOIQT-QMTHXVAHSA-N	2	0	311.386	-1.187	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[C@@H](O)C[NH3+])C[C@H]1C2	ZINC001160791929	779820283	/nfs/dbraw/zinc/82/02/83/779820283.db2.gz	IOZLQABTNFMVOO-OVKLUEDNSA-N	2	0	311.382	-1.447	20	0		DAADRP
CCOC(=O)[C@]12CN(C(=O)[C@H]3C[NH2+]CCO3)C[C@H]1C[NH2+]CC2	ZINC001160811658	779820345	/nfs/dbraw/zinc/82/03/45/779820345.db2.gz	RRLCVVVGVFMCEA-LALPHHSUSA-N	2	0	311.382	-1.024	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@H]1C2	ZINC001160797234	779820462	/nfs/dbraw/zinc/82/04/62/779820462.db2.gz	LFXHEPPIESBBSQ-RQXQIDNZSA-N	2	0	322.409	-1.610	20	0		DAADRP
C[NH+](C)C[C@H]1COCCN1C(=O)CN(CC[NH3+])S(C)(=O)=O	ZINC001160838409	779820951	/nfs/dbraw/zinc/82/09/51/779820951.db2.gz	IJWZHVFIVKEUKV-NSHDSACASA-N	2	0	322.431	-2.004	20	0		DAADRP
C[NH+](C)C[C@H]1COCCN1C(=O)[C@H]([NH3+])CCCNC(N)=O	ZINC001160838855	779822122	/nfs/dbraw/zinc/82/21/22/779822122.db2.gz	OVQZOWYVGKXQSQ-WDEREUQCSA-N	2	0	301.391	-1.449	20	0		DAADRP
O=C([C@@H]1NC(=O)CC12C[NH2+]C2)N1CC(O)([C@H]2CCCC[NH2+]2)C1	ZINC001160999272	779822506	/nfs/dbraw/zinc/82/25/06/779822506.db2.gz	AJVGXUURKDQAKS-PWSUYJOCSA-N	2	0	308.382	-1.820	20	0		DAADRP
CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C1	ZINC001161049918	779824476	/nfs/dbraw/zinc/82/44/76/779824476.db2.gz	JOGDTDALZQATJX-SRVKXCTJSA-N	2	0	300.403	-1.248	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[NH3+]	ZINC001161063391	779824890	/nfs/dbraw/zinc/82/48/90/779824890.db2.gz	MGZCJQKQJYXRRL-NAKRPEOUSA-N	2	0	313.402	-1.578	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(C)[C@H]1CCCC[C@H]1[NH3+]	ZINC001161063393	779824910	/nfs/dbraw/zinc/82/49/10/779824910.db2.gz	MGZCJQKQJYXRRL-VLEAKVRGSA-N	2	0	313.402	-1.578	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1	ZINC001161008060	779825272	/nfs/dbraw/zinc/82/52/72/779825272.db2.gz	NLJFIKKKFOCKDT-WDEREUQCSA-N	3	0	302.444	-1.279	20	0		DAADRP
CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@@H]1CCCC[C@H]1[NH3+]	ZINC001161064840	779825287	/nfs/dbraw/zinc/82/52/87/779825287.db2.gz	SZYQSHVQATXCHM-GHMZBOCLSA-N	2	0	306.432	-1.065	20	0		DAADRP
CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@@H]1CCCC[C@@H]1[NH3+]	ZINC001161064844	779825293	/nfs/dbraw/zinc/82/52/93/779825293.db2.gz	SZYQSHVQATXCHM-WDEREUQCSA-N	2	0	306.432	-1.065	20	0		DAADRP
CCOC(=O)[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CSCC[NH3+]	ZINC001161093764	779826265	/nfs/dbraw/zinc/82/62/65/779826265.db2.gz	WPKXGKHKLNJQLJ-UWVGGRQHSA-N	2	0	305.400	-1.204	20	0		DAADRP
COC(=O)[C@]1(N)CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1	ZINC001161138533	779827759	/nfs/dbraw/zinc/82/77/59/779827759.db2.gz	UVBACQYDALKXQF-NHYWBVRUSA-N	2	0	310.398	-1.037	20	0		DAADRP
COC(=O)[C@]1(N)CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1	ZINC001161139641	779828146	/nfs/dbraw/zinc/82/81/46/779828146.db2.gz	ZMDRLYSLVHATHE-RISCZKNCSA-N	2	0	313.402	-2.160	20	0		DAADRP
CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1CCCN1C(=O)C[NH3+]	ZINC001161157388	779829214	/nfs/dbraw/zinc/82/92/14/779829214.db2.gz	COLWBYBIYACKIP-NSHDSACASA-N	2	0	314.386	-1.323	20	0		DAADRP
CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1C[NH2+]C[C@H]1OC(C)=O	ZINC001161158632	779829446	/nfs/dbraw/zinc/82/94/46/779829446.db2.gz	ZCHVKPUHZMXROD-VXGBXAGGSA-N	2	0	315.370	-1.122	20	0		DAADRP
CCOC(=O)CN(CCC[NH3+])C(=O)/C=C/C(=O)NCC[NH3+]	ZINC001161154064	779829547	/nfs/dbraw/zinc/82/95/47/779829547.db2.gz	UENKGEOYRZHIJV-SNAWJCMRSA-N	2	0	300.359	-1.642	20	0		DAADRP
[NH3+]C[C@@]1(F)CCN(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)C1	ZINC001161240079	779830244	/nfs/dbraw/zinc/83/02/44/779830244.db2.gz	VXKLVEBVWYJGQQ-KOLCDFICSA-N	2	0	305.375	-1.338	20	0		DAADRP
[NH3+]C[C@@]1(F)CCN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C1	ZINC001161239916	779830343	/nfs/dbraw/zinc/83/03/43/779830343.db2.gz	UTOVUJQQBSNKEI-GWCFXTLKSA-N	2	0	323.376	-1.177	20	0		DAADRP
[NH3+]C[C@]1(F)CCN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C1	ZINC001161239919	779830477	/nfs/dbraw/zinc/83/04/77/779830477.db2.gz	UTOVUJQQBSNKEI-ZWNOBZJWSA-N	2	0	323.376	-1.177	20	0		DAADRP
COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001161237584	779830539	/nfs/dbraw/zinc/83/05/39/779830539.db2.gz	MWCHLZSDDQWHAO-TYNCELHUSA-N	2	0	310.398	-1.499	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)N1CCN(c2ncncn2)CC1	ZINC001161247305	779830745	/nfs/dbraw/zinc/83/07/45/779830745.db2.gz	CHLAAABQQRGKAA-JTQLQIEISA-N	2	0	311.415	-1.461	20	0		DAADRP
COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CCN1C(C)=O	ZINC001161295311	779833550	/nfs/dbraw/zinc/83/35/50/779833550.db2.gz	IORCOZGBROKKKB-RYUDHWBXSA-N	2	0	314.386	-1.325	20	0		DAADRP
COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCN1C(C)=O	ZINC001161297218	779833630	/nfs/dbraw/zinc/83/36/30/779833630.db2.gz	WAZUJUVHPFJRPS-RYUDHWBXSA-N	2	0	324.381	-1.972	20	0		DAADRP
COC(=O)[C@@]1(C)COCCN1C(=O)[C@@H]([NH3+])CSCC[NH3+]	ZINC001161371627	779834085	/nfs/dbraw/zinc/83/40/85/779834085.db2.gz	GBYSBBPDZYKQDP-JOYOIKCWSA-N	2	0	305.400	-1.204	20	0		DAADRP
COC(=O)[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCN1C(C)=O	ZINC001161297220	779834326	/nfs/dbraw/zinc/83/43/26/779834326.db2.gz	WAZUJUVHPFJRPS-VXGBXAGGSA-N	2	0	324.381	-1.972	20	0		DAADRP
CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])[C@@H]1CCC[NH2+]C1	ZINC001161342234	779834370	/nfs/dbraw/zinc/83/43/70/779834370.db2.gz	ZZHHSPRRYKDLRE-AXFHLTTASA-N	2	0	313.402	-1.706	20	0		DAADRP
COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])CCN1C(C)=O	ZINC001161295576	779834570	/nfs/dbraw/zinc/83/45/70/779834570.db2.gz	MBQDYFUMSQQRIQ-QWRGUYRKSA-N	2	0	300.359	-1.715	20	0		DAADRP
CC(C)N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])[C@H]1CC[NH2+]C1	ZINC001161352587	779834930	/nfs/dbraw/zinc/83/49/30/779834930.db2.gz	CWXVFKUQPZGKRM-DCAQKATOSA-N	2	0	313.402	-1.707	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1	ZINC001161413630	779835477	/nfs/dbraw/zinc/83/54/77/779835477.db2.gz	RBIXVYIKCDVUTJ-HHKYUTTNSA-N	2	0	311.386	-2.111	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1	ZINC001161412036	779835576	/nfs/dbraw/zinc/83/55/76/779835576.db2.gz	FICACROSPJPGLP-DCAQKATOSA-N	2	0	304.416	-1.598	20	0		DAADRP
[NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C2)CC1	ZINC001161379971	779835668	/nfs/dbraw/zinc/83/56/68/779835668.db2.gz	SKAFVKCWYUAKHH-KGLIPLIRSA-N	3	0	307.442	-1.181	20	0		DAADRP
O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CCO[C@H](C[NH+]2CCCC2)C1	ZINC001161382428	779835750	/nfs/dbraw/zinc/83/57/50/779835750.db2.gz	XNUSTMZQFCHZRO-KGLIPLIRSA-N	2	0	324.425	-1.360	20	0		DAADRP
O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CCO[C@H](C[NH+]2CCCC2)C1	ZINC001161382430	779835769	/nfs/dbraw/zinc/83/57/69/779835769.db2.gz	XNUSTMZQFCHZRO-ZIAGYGMSSA-N	2	0	324.425	-1.360	20	0		DAADRP
[NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)C[C@@H]12	ZINC001161411824	779835878	/nfs/dbraw/zinc/83/58/78/779835878.db2.gz	BEOXOGCKCAWNSS-DDHJBXDOSA-N	2	0	313.423	-1.041	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1	ZINC001161413631	779835995	/nfs/dbraw/zinc/83/59/95/779835995.db2.gz	RBIXVYIKCDVUTJ-MFDAYCCISA-N	2	0	311.386	-2.111	20	0		DAADRP
C[NH+](C)CCN(C(=O)[C@H]1NC(=O)CC12C[NH2+]C2)[C@@H]1CCC[NH2+]C1	ZINC001161447245	779837193	/nfs/dbraw/zinc/83/71/93/779837193.db2.gz	WISPAGLYULRVOK-TZMCWYRMSA-N	3	0	323.441	-1.393	20	0		DAADRP
C[NH+](C)CCN(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)[C@H]1CCC[NH2+]C1	ZINC001161446591	779837598	/nfs/dbraw/zinc/83/75/98/779837598.db2.gz	SUENFOXUVSGTKY-KBPBESRZSA-N	4	0	309.458	-1.062	20	0		DAADRP
COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1COC3)CC2	ZINC001161477032	779838189	/nfs/dbraw/zinc/83/81/89/779838189.db2.gz	GMIWGEMPOVHBEP-RKLWJJNISA-N	2	0	323.393	-1.024	20	0		DAADRP
COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@]13C[NH2+][C@@H](CO1)C3)CC2	ZINC001161478086	779838400	/nfs/dbraw/zinc/83/84/00/779838400.db2.gz	KIZFTZHPFRGHPT-YIKOMLBNSA-N	2	0	309.366	-1.129	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])COC(C)=O)CC2	ZINC001161476214	779838435	/nfs/dbraw/zinc/83/84/35/779838435.db2.gz	BLVHEDISQXFOOE-MJVIPROJSA-N	2	0	313.354	-1.370	20	0		DAADRP
COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])COC(C)=O)CC2	ZINC001161476212	779838650	/nfs/dbraw/zinc/83/86/50/779838650.db2.gz	BLVHEDISQXFOOE-COPLHBTASA-N	2	0	313.354	-1.370	20	0		DAADRP
COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])Cn1cccn1)CC2	ZINC001161479650	779838788	/nfs/dbraw/zinc/83/87/88/779838788.db2.gz	QJEAKRPJSGIICC-YWPYICTPSA-N	2	0	321.381	-1.036	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1COC3)CC2	ZINC001161477033	779838971	/nfs/dbraw/zinc/83/89/71/779838971.db2.gz	GMIWGEMPOVHBEP-VZAMPYOESA-N	2	0	323.393	-1.024	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])Cn1cccn1)CC2	ZINC001161479651	779839172	/nfs/dbraw/zinc/83/91/72/779839172.db2.gz	QJEAKRPJSGIICC-ZOWXZIJZSA-N	2	0	321.381	-1.036	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)CN1CC[NH2+]CC1)CC2	ZINC001161477021	779839259	/nfs/dbraw/zinc/83/92/59/779839259.db2.gz	GLFGGXISKBDNRJ-WFASDCNBSA-N	2	0	310.398	-1.355	20	0		DAADRP
CO[C@@H]1CN(C(=O)c2cnc(N3CC[NH2+]CC3)cn2)C[C@@H]1[NH3+]	ZINC001161493249	779840258	/nfs/dbraw/zinc/84/02/58/779840258.db2.gz	HSANISHURYSJRA-CMPLNLGQSA-N	2	0	306.370	-1.316	20	0		DAADRP
[NH3+][C@H]1CN(C(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)CC12COC2	ZINC001161501414	779840353	/nfs/dbraw/zinc/84/03/53/779840353.db2.gz	XMPHOGNYPBIBHO-MNOVXSKESA-N	2	0	308.382	-1.712	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[NH2+]CC[C@@H]1O)CC2	ZINC001161481302	779840669	/nfs/dbraw/zinc/84/06/69/779840669.db2.gz	XMIUDIARSYTJGT-ZAZJYDDPSA-N	2	0	311.382	-1.290	20	0		DAADRP
NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N2C[C@H]([NH3+])C3(COC3)C2)cc1	ZINC001161509023	779840885	/nfs/dbraw/zinc/84/08/85/779840885.db2.gz	HNDFNABIYCTXBQ-STQMWFEESA-N	2	0	318.377	-1.159	20	0		DAADRP
C[C@]1(C[NH3+])CCCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C1	ZINC001161488089	779840927	/nfs/dbraw/zinc/84/09/27/779840927.db2.gz	AJEIFLXIIFXIFE-GFCCVEGCSA-N	2	0	306.432	-1.206	20	0		DAADRP
COC(=O)CC[C@@H]1COCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2	ZINC001161564535	779841614	/nfs/dbraw/zinc/84/16/14/779841614.db2.gz	BUNDRXBWXYHGEX-VXGBXAGGSA-N	2	0	311.382	-1.024	20	0		DAADRP
O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC[NH2+]C2(CC2)C1	ZINC001161542901	779841784	/nfs/dbraw/zinc/84/17/84/779841784.db2.gz	KNVXFZXYIQDLOG-LLVKDONJSA-N	2	0	317.397	-1.112	20	0		DAADRP
[NH3+][C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)CC12COC2	ZINC001161511175	779842785	/nfs/dbraw/zinc/84/27/85/779842785.db2.gz	YAWKKBPAFTYHOO-VHSXEESVSA-N	2	0	315.395	-2.051	20	0		DAADRP
COCCOC1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1	ZINC001161572536	779843188	/nfs/dbraw/zinc/84/31/88/779843188.db2.gz	RZPQYENVXKWRSV-CYBMUJFWSA-N	2	0	300.403	-1.389	20	0		DAADRP
O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccnc(N3CC[NH2+]CC3)n2)N1	ZINC001163237976	779865548	/nfs/dbraw/zinc/86/55/48/779865548.db2.gz	KKSOFPCTOUGODD-YGRLFVJLSA-N	2	0	303.370	-1.124	20	0		DAADRP
O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2nccnc2N2CC[NH2+]CC2)N1	ZINC001163240997	779865750	/nfs/dbraw/zinc/86/57/50/779865750.db2.gz	XRUWAQFLUNDSTB-IINYFYTJSA-N	2	0	303.370	-1.124	20	0		DAADRP
O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccnc(N3CC[NH2+]CC3)n2)N1	ZINC001163237973	779865851	/nfs/dbraw/zinc/86/58/51/779865851.db2.gz	KKSOFPCTOUGODD-HZMBPMFUSA-N	2	0	303.370	-1.124	20	0		DAADRP
CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1	ZINC001164535735	779879399	/nfs/dbraw/zinc/87/93/99/779879399.db2.gz	CUWWGFYZYDXACL-LBPRGKRZSA-N	2	0	300.403	-1.063	20	0		DAADRP
O=C1NCCN(c2ccc(OC3CC[NH2+]CC3)nn2)C12C[NH2+]C2	ZINC001165301692	779881795	/nfs/dbraw/zinc/88/17/95/779881795.db2.gz	AHUZNECSQWOJRJ-UHFFFAOYSA-N	2	0	318.381	-1.114	20	0		DAADRP
COC(=O)[C@H]1C[NH2+]CCN1c1ccc(N2CC[NH2+]CC2)nn1	ZINC001165437441	779882617	/nfs/dbraw/zinc/88/26/17/779882617.db2.gz	SAAOPIGJSHDZLW-LLVKDONJSA-N	2	0	306.370	-1.163	20	0		DAADRP
O=C1NCCN(c2ccc(N3CC[NH2+]CC3)cn2)C12C[NH2+]C2	ZINC001165302652	779882728	/nfs/dbraw/zinc/88/27/28/779882728.db2.gz	WWNBGWCNFYLYEU-UHFFFAOYSA-N	2	0	302.382	-1.231	20	0		DAADRP
C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O	ZINC001166691820	779891769	/nfs/dbraw/zinc/89/17/69/779891769.db2.gz	NXGUCKDSHNRYJD-NWDGAFQWSA-N	2	0	320.459	-1.171	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1	ZINC001166677200	779891943	/nfs/dbraw/zinc/89/19/43/779891943.db2.gz	GQADACGOKARAOL-LBPRGKRZSA-N	2	0	320.459	-1.027	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C	ZINC001166708780	779892131	/nfs/dbraw/zinc/89/21/31/779892131.db2.gz	WAMRILRHZLLRMD-MNOVXSKESA-N	2	0	313.402	-1.264	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001166667924	779892351	/nfs/dbraw/zinc/89/23/51/779892351.db2.gz	LKNAUPWYWPCLNV-NSHDSACASA-N	2	0	313.402	-1.120	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001207683984	779923722	/nfs/dbraw/zinc/92/37/22/779923722.db2.gz	JCDPMRNJWCNATF-GHMZBOCLSA-N	2	0	311.386	-1.144	20	0		DAADRP
CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1	ZINC001213857810	779985367	/nfs/dbraw/zinc/98/53/67/779985367.db2.gz	XHBIMJJPHBYXCU-MGPQQGTHSA-N	2	0	315.414	-1.238	20	0		DAADRP
CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C	ZINC001215571187	780008996	/nfs/dbraw/zinc/00/89/96/780008996.db2.gz	CZCIIPGKPOSOLQ-MXWKQRLJSA-N	2	0	313.402	-1.042	20	0		DAADRP
C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC(=O)NC(N)=O	ZINC001216405235	780013500	/nfs/dbraw/zinc/01/35/00/780013500.db2.gz	IWGAWYUSLWJPLD-GHMZBOCLSA-N	2	0	323.397	-1.286	20	0		DAADRP
C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NC(N)=O	ZINC001216756055	780014894	/nfs/dbraw/zinc/01/48/94/780014894.db2.gz	QAQDKUXAMLNCGI-GHMZBOCLSA-N	2	0	311.386	-1.286	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ncnn2cccc12	ZINC001218563860	780032391	/nfs/dbraw/zinc/03/23/91/780032391.db2.gz	DYGDGNTXHVXCPZ-NSHDSACASA-N	2	0	303.370	-1.160	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1cnn(C2C[NH2+]C2)c1	ZINC001218640911	780036598	/nfs/dbraw/zinc/03/65/98/780036598.db2.gz	NIPVFPACWHNYFJ-UHFFFAOYSA-N	2	0	316.387	-1.814	20	0		DAADRP
NC(=O)c1nccnc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001218618559	780037401	/nfs/dbraw/zinc/03/74/01/780037401.db2.gz	RIZJITJKBZBSTA-SECBINFHSA-N	2	0	307.358	-1.736	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cccc2c1C[NH2+]C2	ZINC001218993268	780045583	/nfs/dbraw/zinc/04/55/83/780045583.db2.gz	LVWNVTBSXRDXAA-UFBFGSQYSA-N	2	0	319.365	-1.064	20	0		DAADRP
C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1	ZINC001218970566	780045655	/nfs/dbraw/zinc/04/56/55/780045655.db2.gz	JVYIIHYPDRBEJC-MELADBBJSA-N	2	0	315.414	-1.143	20	0		DAADRP
C[NH+](C)CCNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+]	ZINC001219553737	780115868	/nfs/dbraw/zinc/11/58/68/780115868.db2.gz	JDIUWNLGHPTJDV-UHFFFAOYSA-N	2	0	316.362	-4.029	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)NCCC(=O)N1CCOCC1	ZINC001219573466	780118731	/nfs/dbraw/zinc/11/87/31/780118731.db2.gz	NNKBOBWDIBFBNU-JTQLQIEISA-N	2	0	304.416	-1.629	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1	ZINC001219593646	780120747	/nfs/dbraw/zinc/12/07/47/780120747.db2.gz	BQZDBICWKWNDJZ-SNVBAGLBSA-N	3	0	304.416	-1.393	20	0		DAADRP
CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N(CC[NH3+])S(C)(=O)=O	ZINC001219595435	780122732	/nfs/dbraw/zinc/12/27/32/780122732.db2.gz	AEHXGXAAFOAUIL-UWVGGRQHSA-N	2	0	322.431	-1.389	20	0		DAADRP
CC(=O)N[C@@H](CCCC[NH3+])C(=O)N(CC[NH3+])S(C)(=O)=O	ZINC001219595432	780122798	/nfs/dbraw/zinc/12/27/98/780122798.db2.gz	ACFMVTPVEYOWCG-JTQLQIEISA-N	2	0	308.404	-1.633	20	0		DAADRP
O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1NC(=O)CC12C[NH2+]C2	ZINC001219617272	780124845	/nfs/dbraw/zinc/12/48/45/780124845.db2.gz	JJUSDVPYPNTDSJ-GMOODISLSA-N	2	0	300.334	-2.357	20	0		DAADRP
O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)C1=NO[C@@]2(CC[NH2+]C2)C1	ZINC001219616785	780125403	/nfs/dbraw/zinc/12/54/03/780125403.db2.gz	DBAHZFZHANCXKI-WCFLWFBJSA-N	2	0	300.334	-1.327	20	0		DAADRP
CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F	ZINC001219617710	780125603	/nfs/dbraw/zinc/12/56/03/780125603.db2.gz	ONXHNCGWVQHSMG-COPLHBTASA-N	2	0	318.393	-1.345	20	0		DAADRP
O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1C[NH2+]Cc2ccnn2C1	ZINC001219615885	780125717	/nfs/dbraw/zinc/12/57/17/780125717.db2.gz	HMDQSNZEOSEFDZ-VHRBIJSZSA-N	2	0	311.361	-1.219	20	0		DAADRP
[NH3+][C@H]1CCCCN(CC(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1=O	ZINC001219619889	780126714	/nfs/dbraw/zinc/12/67/14/780126714.db2.gz	REAXJOBSJCGHOQ-COPLHBTASA-N	2	0	316.377	-1.495	20	0		DAADRP
O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21	ZINC001219621762	780127002	/nfs/dbraw/zinc/12/70/02/780127002.db2.gz	HBCLDLTZDBQIEA-VXUPGSCNSA-N	2	0	301.362	-1.210	20	0		DAADRP
CC(=O)NCCCC[C@H]([NH3+])C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F	ZINC001219621576	780127109	/nfs/dbraw/zinc/12/71/09/780127109.db2.gz	DCKAGPUCSWXOIU-SGMGOOAPSA-N	2	0	318.393	-1.201	20	0		DAADRP
[NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F	ZINC001219619557	780127140	/nfs/dbraw/zinc/12/71/40/780127140.db2.gz	JWQGHBDSIQFBPP-OUJBWJOFSA-N	2	0	302.350	-1.885	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@]1(O)CC[NH2+]C[C@@H]1F	ZINC001219621967	780127491	/nfs/dbraw/zinc/12/74/91/780127491.db2.gz	LHRZLQZXADNEQJ-OUJBWJOFSA-N	2	0	302.350	-1.967	20	0		DAADRP
CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F	ZINC001219622147	780127536	/nfs/dbraw/zinc/12/75/36/780127536.db2.gz	OFFFIUBEUWIROL-SGMGOOAPSA-N	2	0	318.393	-1.201	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1C[NH2+]C[C@H](C)C1	ZINC001219650116	780128552	/nfs/dbraw/zinc/12/85/52/780128552.db2.gz	MLEOIMAYCXEOEZ-YTWAJWBKSA-N	2	0	313.402	-1.944	20	0		DAADRP
O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2	ZINC001219635540	780128830	/nfs/dbraw/zinc/12/88/30/780128830.db2.gz	LBJQSGVRAKVWST-GARJFASQSA-N	2	0	323.376	-1.260	20	0		DAADRP
O=C(NCCC1(O)C[NH2+]C1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2	ZINC001219696277	780135760	/nfs/dbraw/zinc/13/57/60/780135760.db2.gz	FRMDEBZBWCFRSR-SECBINFHSA-N	2	0	303.384	-2.396	20	0		DAADRP
O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12	ZINC001219711803	780135778	/nfs/dbraw/zinc/13/57/78/780135778.db2.gz	IEPJVTZAJSKAHU-MZXFEWSRSA-N	2	0	316.361	-1.455	20	0		DAADRP
O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2	ZINC001219711668	780135879	/nfs/dbraw/zinc/13/58/79/780135879.db2.gz	GHROROSZXCCSCG-IVZWLZJFSA-N	2	0	307.358	-2.627	20	0		DAADRP
C[N@@H+]1C[C@@H](C(=O)NCCC2(O)C[NH2+]C2)OC2(CC[NH2+]CC2)C1	ZINC001219697606	780135989	/nfs/dbraw/zinc/13/59/89/780135989.db2.gz	VDXWPWPEWUIXBZ-LBPRGKRZSA-N	3	0	312.414	-1.720	20	0		DAADRP
O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H]1Cn2cnnc2C12CC[NH2+]CC2	ZINC001219711705	780136347	/nfs/dbraw/zinc/13/63/47/780136347.db2.gz	GYQYAZYGZCSGTB-GMTAPVOTSA-N	2	0	306.370	-2.022	20	0		DAADRP
O=C(N[C@@H]1C[NH2+]C[C@H]1O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O	ZINC001219713971	780137108	/nfs/dbraw/zinc/13/71/08/780137108.db2.gz	BQBBHRDAFOYXTM-REWJHTLYSA-N	2	0	316.361	-1.452	20	0		DAADRP
[NH3+][C@H]1COC[C@H]1NC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2	ZINC001219719961	780138049	/nfs/dbraw/zinc/13/80/49/780138049.db2.gz	BIWPOWQMEFZHTH-OUAUKWLOSA-N	2	0	317.411	-1.757	20	0		DAADRP
CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[NH2+]C[C@H]1O	ZINC001219714684	780138412	/nfs/dbraw/zinc/13/84/12/780138412.db2.gz	TYOFEBBVNMSBAP-IVZWLZJFSA-N	2	0	302.375	-2.306	20	0		DAADRP
CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)nc1	ZINC001219716313	780138417	/nfs/dbraw/zinc/13/84/17/780138417.db2.gz	JWSKMEZBJGUPET-LBPRGKRZSA-N	2	0	324.406	-1.090	20	0		DAADRP
[NH3+][C@H]1CCCCN(CC(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)C1=O	ZINC001219737037	780138757	/nfs/dbraw/zinc/13/87/57/780138757.db2.gz	NJMTVJXOXNEABW-NEPJUHHUSA-N	2	0	310.398	-1.179	20	0		DAADRP
CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1	ZINC001219737238	780140014	/nfs/dbraw/zinc/14/00/14/780140014.db2.gz	QZCNEFLANQZWIR-RYUDHWBXSA-N	2	0	312.414	-1.029	20	0		DAADRP
Cn1cncc1C[C@H]([NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2	ZINC001219746419	780141629	/nfs/dbraw/zinc/14/16/29/780141629.db2.gz	IOTBTCMIJUQPHX-NSHDSACASA-N	2	0	318.385	-1.309	20	0		DAADRP
O=C(C[C@@]1(O)CCC[NH2+]C1)NCc1nnc2n1CCC[NH2+]C2	ZINC001219750013	780142498	/nfs/dbraw/zinc/14/24/98/780142498.db2.gz	UKBBHIFXYITCBR-AWEZNQCLSA-N	2	0	308.386	-1.108	20	0		DAADRP
O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1COC2(C[NH2+]C2)CN1	ZINC001219750032	780142894	/nfs/dbraw/zinc/14/28/94/780142894.db2.gz	VCSZYYHUBXHUCB-SNVBAGLBSA-N	2	0	321.385	-2.282	20	0		DAADRP
O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1NC(=O)CC12C[NH2+]C2	ZINC001219750023	780143087	/nfs/dbraw/zinc/14/30/87/780143087.db2.gz	URKXUTWEZQIDKR-LBPRGKRZSA-N	2	0	319.369	-2.134	20	0		DAADRP
O=C(CNC1CC[NH2+]CC1)NCc1nnc2n1CCC[NH2+]C2	ZINC001219749408	780143166	/nfs/dbraw/zinc/14/31/66/780143166.db2.gz	MODSXQILABQHEW-UHFFFAOYSA-N	2	0	307.402	-1.271	20	0		DAADRP
O=C(NCc1nnc2n1CCC[NH2+]C2)[C@]12C[NH2+]C[C@H]1CCN2	ZINC001219750203	780143380	/nfs/dbraw/zinc/14/33/80/780143380.db2.gz	XGVRGOXWXTWTKX-YGRLFVJLSA-N	2	0	305.386	-1.661	20	0		DAADRP
CCOC(=O)C1(C(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)C[NH2+]C1	ZINC001219764563	780144474	/nfs/dbraw/zinc/14/44/74/780144474.db2.gz	IBHPYAUYQGZFDW-NEPJUHHUSA-N	2	0	310.398	-1.451	20	0		DAADRP
[NH3+][C@H]1CCCCN(CC(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)C1=O	ZINC001219764441	780144484	/nfs/dbraw/zinc/14/44/84/780144484.db2.gz	FSSPDMKCGFLARK-RDBSUJKOSA-N	2	0	323.441	-1.264	20	0		DAADRP
O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2	ZINC001219768274	780146729	/nfs/dbraw/zinc/14/67/29/780146729.db2.gz	LSOAYCZMCBFPRR-CMPLNLGQSA-N	2	0	319.402	-1.029	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@]1(F)CCC[NH2+]C1	ZINC001219770869	780146787	/nfs/dbraw/zinc/14/67/87/780146787.db2.gz	GAEXKOKSGZRKLC-MWODSPESSA-N	2	0	317.365	-2.098	20	0		DAADRP
O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1COC2(C[NH2+]C2)CN1	ZINC001219799992	780147501	/nfs/dbraw/zinc/14/75/01/780147501.db2.gz	FXKKEQJELPCKFI-NEPJUHHUSA-N	2	0	310.398	-1.798	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCC[C@H]1CCOC12C[NH2+]C2	ZINC001219803092	780148084	/nfs/dbraw/zinc/14/80/84/780148084.db2.gz	KURRKJXGYXFWDZ-DCAQKATOSA-N	2	0	314.386	-2.305	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)NCC[C@@H]1CCOC12C[NH2+]C2	ZINC001219800978	780148940	/nfs/dbraw/zinc/14/89/40/780148940.db2.gz	PQWMFZBBZUTTQX-MNOVXSKESA-N	3	0	302.444	-1.110	20	0		DAADRP
[NH3+]CCCC[C@H]([NH3+])C(=O)NCc1cc(=O)n2c(n1)CNCCC2	ZINC001219805874	780150110	/nfs/dbraw/zinc/15/01/10/780150110.db2.gz	FLYDMORCFAVHKN-LBPRGKRZSA-N	2	0	322.413	-1.191	20	0		DAADRP
CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC[C@]12C[NH2+]C[C@H]1COC2	ZINC001219814746	780151766	/nfs/dbraw/zinc/15/17/66/780151766.db2.gz	LEWMBRQSJFNGMA-YDHLFZDLSA-N	2	0	312.414	-1.028	20	0		DAADRP
COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1	ZINC001219814127	780151850	/nfs/dbraw/zinc/15/18/50/780151850.db2.gz	UCOGAIJTRUJWFX-MCIONIFRSA-N	2	0	315.414	-1.361	20	0		DAADRP
CC(C)(O)[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219834313	780153402	/nfs/dbraw/zinc/15/34/02/780153402.db2.gz	PKTTUIOLBKENPJ-JTNHKYCSSA-N	2	0	301.387	-1.404	20	0		DAADRP
[NH3+][C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219833344	780153445	/nfs/dbraw/zinc/15/34/45/780153445.db2.gz	CCQDRARTRBEHJU-LNSITVRQSA-N	2	0	323.397	-1.209	20	0		DAADRP
O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)C1(O)CC[NH2+]CC1	ZINC001219835163	780153459	/nfs/dbraw/zinc/15/34/59/780153459.db2.gz	YLVDXZWCTQGUDE-GXTWGEPZSA-N	2	0	313.398	-1.388	20	0		DAADRP
O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1	ZINC001219834911	780153624	/nfs/dbraw/zinc/15/36/24/780153624.db2.gz	UJZVOPBPQFGFFS-WZYWGQKZSA-N	2	0	324.425	-1.552	20	0		DAADRP
O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]CCCO1	ZINC001219833713	780153741	/nfs/dbraw/zinc/15/37/41/780153741.db2.gz	HOLREMUOTWYKIL-VNHYZAJKSA-N	2	0	313.398	-1.124	20	0		DAADRP
O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@]12C[NH2+][C@@H](CO1)C2	ZINC001219833942	780153747	/nfs/dbraw/zinc/15/37/47/780153747.db2.gz	MNQRDGLZVGZJPF-QHSBEEBCSA-N	2	0	311.382	-1.371	20	0		DAADRP
[NH3+]CC(=O)NCC(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219835089	780153951	/nfs/dbraw/zinc/15/39/51/780153951.db2.gz	WLMAZDARBZRGAZ-GXFFZTMASA-N	2	0	300.359	-2.427	20	0		DAADRP
[NH3+]CCC[NH2+]CC(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219836748	780155273	/nfs/dbraw/zinc/15/52/73/780155273.db2.gz	DPZPMGDKMFZSIG-GXTWGEPZSA-N	3	0	300.403	-1.564	20	0		DAADRP
O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219838344	780155362	/nfs/dbraw/zinc/15/53/62/780155362.db2.gz	PHHKSQSZBGWZGV-GUTXKFCHSA-N	2	0	313.398	-1.124	20	0		DAADRP
CN1CC[NH2+]C[C@@H]1C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219837656	780155373	/nfs/dbraw/zinc/15/53/73/780155373.db2.gz	KORGYRHJIVYIIU-GUTXKFCHSA-N	2	0	312.414	-1.599	20	0		DAADRP
[NH3+]CCC[NH2+]CC(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219836751	780155383	/nfs/dbraw/zinc/15/53/83/780155383.db2.gz	DPZPMGDKMFZSIG-TZMCWYRMSA-N	3	0	300.403	-1.564	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12	ZINC001219847615	780155972	/nfs/dbraw/zinc/15/59/72/780155972.db2.gz	MQUWNRIEQFFKPF-JBLDHEPKSA-N	2	0	320.415	-2.158	20	0		DAADRP
O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1NC(=O)CC12C[NH2+]C2	ZINC001219850383	780155978	/nfs/dbraw/zinc/15/59/78/780155978.db2.gz	RSYWZRMDKJYXNV-MEWQQHAOSA-N	2	0	308.382	-1.795	20	0		DAADRP
CCn1nnc2c1[C@@H](C(=O)N[C@H]1CO[C@@H]3C[NH2+]C[C@H]13)CNC2	ZINC001219854497	780157628	/nfs/dbraw/zinc/15/76/28/780157628.db2.gz	KHFLSNTVJOUVNS-LLHIFLOGSA-N	2	0	306.370	-1.412	20	0		DAADRP
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@@H]1O	ZINC001219902720	780160730	/nfs/dbraw/zinc/16/07/30/780160730.db2.gz	IDTDPDUNAYLFHD-UPJWGTAASA-N	2	0	317.430	-1.115	20	0		DAADRP
[NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH2+]CCO	ZINC001219917986	780161924	/nfs/dbraw/zinc/16/19/24/780161924.db2.gz	ARKFKSDZOZYYTM-ZDUSSCGKSA-N	2	0	308.382	-1.629	20	0		DAADRP
O=C(NCC[NH2+]CCO)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2	ZINC001219918964	780162253	/nfs/dbraw/zinc/16/22/53/780162253.db2.gz	UQFQMPSOQAGMDX-LLVKDONJSA-N	2	0	319.427	-1.901	20	0		DAADRP
CS(=O)(=O)N(C(=O)CNCC[NH3+])c1ccc(C[NH3+])cc1	ZINC001219938744	780163643	/nfs/dbraw/zinc/16/36/43/780163643.db2.gz	BYBILHSARZQKPR-UHFFFAOYSA-N	2	0	300.384	-1.014	20	0		DAADRP
CCOC(=O)C1(C(=O)NC2(C(=O)OC)CC[NH2+]CC2)C[NH2+]C1	ZINC001220001206	780169072	/nfs/dbraw/zinc/16/90/72/780169072.db2.gz	LLNCXKQYSQPRBX-UHFFFAOYSA-N	2	0	313.354	-1.450	20	0		DAADRP
COC(=O)C1(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]CC1	ZINC001220001567	780169469	/nfs/dbraw/zinc/16/94/69/780169469.db2.gz	SQQXUTNYBYLELS-JTQLQIEISA-N	2	0	312.370	-1.734	20	0		DAADRP
COC(=O)[C@@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C1CCOCC1	ZINC001220025632	780172264	/nfs/dbraw/zinc/17/22/64/780172264.db2.gz	UCIFIVVCNHAFTF-RYUDHWBXSA-N	2	0	311.382	-1.120	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)N(CCCC[NH3+])C(N)=[NH2+]	ZINC001220103238	780179061	/nfs/dbraw/zinc/17/90/61/780179061.db2.gz	LJJPJZCSASWSKD-UHFFFAOYSA-N	3	0	308.408	-2.332	20	0		DAADRP
CS(=O)(=O)N1CC(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1	ZINC001220145379	780184208	/nfs/dbraw/zinc/18/42/08/780184208.db2.gz	ACSPWTDEHMQNSU-BXKDBHETSA-N	2	0	302.400	-2.055	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC1CC(CO)(CO)C1	ZINC001220151900	780185877	/nfs/dbraw/zinc/18/58/77/780185877.db2.gz	LTJZAIHWAFUZSU-GFCCVEGCSA-N	2	0	300.403	-2.014	20	0		DAADRP
CS(=O)(=O)N1CC(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1	ZINC001220145511	780186512	/nfs/dbraw/zinc/18/65/12/780186512.db2.gz	FQJSECQSUCXRIP-LLVKDONJSA-N	2	0	319.431	-2.503	20	0		DAADRP
CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NC1(C[NH3+])COC1	ZINC001220156793	780186742	/nfs/dbraw/zinc/18/67/42/780186742.db2.gz	KVKSNVJFJBQJBZ-VIFPVBQESA-N	2	0	302.375	-1.911	20	0		DAADRP
CN(C)S(=O)(=O)CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1	ZINC001220268321	780197343	/nfs/dbraw/zinc/19/73/43/780197343.db2.gz	CZTRKSQBSQGNBN-NSHDSACASA-N	2	0	318.443	-1.132	20	0		DAADRP
COCCn1cncc1CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001220274505	780198593	/nfs/dbraw/zinc/19/85/93/780198593.db2.gz	FRZQFASSTANXAI-AWEZNQCLSA-N	2	0	324.429	-1.104	20	0		DAADRP
COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1	ZINC001220269139	780198609	/nfs/dbraw/zinc/19/86/09/780198609.db2.gz	QHYVLFYDMLJUNH-MJBXVCDLSA-N	2	0	315.414	-1.503	20	0		DAADRP
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@H]1CC[NH2+]C1	ZINC001220282822	780199844	/nfs/dbraw/zinc/19/98/44/780199844.db2.gz	NZBZAQCOUPVJRS-DCAQKATOSA-N	2	0	311.386	-2.081	20	0		DAADRP
COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1	ZINC001220297285	780200250	/nfs/dbraw/zinc/20/02/50/780200250.db2.gz	SXODHOSFOBTYGD-RFQIPJPRSA-N	2	0	317.430	-1.259	20	0		DAADRP
O=C(NCc1ncn2c1C[NH2+]CCC2)[C@@H]1C[NH2+]CC12C[NH2+]C2	ZINC001220311090	780201195	/nfs/dbraw/zinc/20/11/95/780201195.db2.gz	KISXYUDIXNTLBD-NSHDSACASA-N	3	0	304.398	-1.198	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCc1ncn2c1C[NH2+]CCC2	ZINC001220313248	780201791	/nfs/dbraw/zinc/20/17/91/780201791.db2.gz	MZRKDPMKJKZXPX-UWVGGRQHSA-N	2	0	308.386	-1.156	20	0		DAADRP
[NH3+]CCOCCOCC(=O)NCc1ncn2c1C[NH2+]CCC2	ZINC001220311923	780201988	/nfs/dbraw/zinc/20/19/88/780201988.db2.gz	UCLAEGVFHZSTTD-UHFFFAOYSA-N	2	0	311.386	-1.016	20	0		DAADRP
O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1COC2(C[NH2+]C2)CN1	ZINC001220317224	780202584	/nfs/dbraw/zinc/20/25/84/780202584.db2.gz	WZMXNEFJCMEJRR-OUCADQQQSA-N	2	0	310.398	-1.656	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2	ZINC001220319600	780202786	/nfs/dbraw/zinc/20/27/86/780202786.db2.gz	HYJJUFVFYRZPDE-AYGWYOGXSA-N	2	0	314.386	-2.162	20	0		DAADRP
O=C(N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1NC(=O)CC12C[NH2+]C2	ZINC001220315973	780202942	/nfs/dbraw/zinc/20/29/42/780202942.db2.gz	KYXMTDVWOKETEK-IFUGULHKSA-N	2	0	308.382	-1.508	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2	ZINC001220320785	780203125	/nfs/dbraw/zinc/20/31/25/780203125.db2.gz	PIESAPGSKXLRRX-SLEUVZQESA-N	2	0	310.398	-1.118	20	0		DAADRP
COc1ccc(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)nn1	ZINC001220343176	780205369	/nfs/dbraw/zinc/20/53/69/780205369.db2.gz	FXAUZVHGZRTHOJ-LBPRGKRZSA-N	2	0	308.386	-1.148	20	0		DAADRP
COC(=O)c1n[nH]cc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001220373377	780206214	/nfs/dbraw/zinc/20/62/14/780206214.db2.gz	LGWGGXCJYPMRQB-SECBINFHSA-N	2	0	310.358	-1.115	20	0		DAADRP
CC[C@@H](C(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1O)[NH+](C)C	ZINC001220377866	780208105	/nfs/dbraw/zinc/20/81/05/780208105.db2.gz	RDGSAXKRDXQRSG-RNJOBUHISA-N	2	0	303.403	-1.505	20	0		DAADRP
CC[C@@H](C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1O)[NH+](C)C	ZINC001220377865	780209162	/nfs/dbraw/zinc/20/91/62/780209162.db2.gz	RDGSAXKRDXQRSG-NDBYEHHHSA-N	2	0	303.403	-1.505	20	0		DAADRP
[NH3+]CCC[NH2+]CC(=O)NCc1ccc(N2CCOCC2)nn1	ZINC001220390160	780209281	/nfs/dbraw/zinc/20/92/81/780209281.db2.gz	QTZQOWUJXHPEIH-UHFFFAOYSA-N	2	0	308.386	-1.132	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC001220431901	780213835	/nfs/dbraw/zinc/21/38/35/780213835.db2.gz	SPFTUBYNDMNUER-YIZRAAEISA-N	2	0	301.347	-3.202	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@@H]1COCC[NH2+]1)C(N)=O	ZINC001220431222	780214581	/nfs/dbraw/zinc/21/45/81/780214581.db2.gz	CULTXBTYAGBWHD-IVZWLZJFSA-N	2	0	315.374	-2.812	20	0		DAADRP
O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1	ZINC001220428836	780214608	/nfs/dbraw/zinc/21/46/08/780214608.db2.gz	FYIMKKAKMUTBBT-AVGNSLFASA-N	2	0	310.398	-1.166	20	0		DAADRP
O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2	ZINC001220428695	780214661	/nfs/dbraw/zinc/21/46/61/780214661.db2.gz	CMBCFOSVXIJZCG-RYUDHWBXSA-N	2	0	320.397	-1.366	20	0		DAADRP
CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)O1	ZINC001220481225	780218091	/nfs/dbraw/zinc/21/80/91/780218091.db2.gz	AFTRJBDHQWAUCN-SFTQSGBHSA-N	3	0	312.414	-1.364	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NCC1([NH3+])CCCC1)C(N)=O	ZINC001220497084	780218232	/nfs/dbraw/zinc/21/82/32/780218232.db2.gz	JWXYQYSHDODXKU-VHSXEESVSA-N	2	0	313.402	-1.528	20	0		DAADRP
CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)O1	ZINC001220481772	780218481	/nfs/dbraw/zinc/21/84/81/780218481.db2.gz	QQPVEZQUTMZVSE-DMWPXEFISA-N	2	0	312.414	-1.223	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]([NH3+])c1ccccc1	ZINC001220504248	780219703	/nfs/dbraw/zinc/21/97/03/780219703.db2.gz	WIHOCWYGLVMBOM-WCQGTBRESA-N	2	0	321.381	-1.490	20	0		DAADRP
[NH3+]CCOCCOCCNC(=O)C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1	ZINC001220519195	780221219	/nfs/dbraw/zinc/22/12/19/780221219.db2.gz	GBEKVZCJWKIXIO-YNEHKIRRSA-N	2	0	301.387	-1.139	20	0		DAADRP
[NH3+]CCOCCOCCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001220519090	780221366	/nfs/dbraw/zinc/22/13/66/780221366.db2.gz	AOMJMQPFPKXQNL-ZDUSSCGKSA-N	3	0	317.434	-2.155	20	0		DAADRP
CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCCOCCOCC[NH3+]	ZINC001220519076	780221910	/nfs/dbraw/zinc/22/19/10/780221910.db2.gz	ABOZOJCCXCMLPH-AAEUAGOBSA-N	2	0	318.418	-1.416	20	0		DAADRP
CN(CC(=O)NCCOCCOCC[NH3+])[C@@H]1CCC[NH2+]C1	ZINC001220519162	780221989	/nfs/dbraw/zinc/22/19/89/780221989.db2.gz	DRZKZFJTXGIZHW-CYBMUJFWSA-N	2	0	302.419	-1.222	20	0		DAADRP
CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)NCCOCCOCC[NH3+]	ZINC001220519337	780222399	/nfs/dbraw/zinc/22/23/99/780222399.db2.gz	KLJGNKNFWPYNEY-RYUDHWBXSA-N	2	0	303.359	-1.754	20	0		DAADRP
C[NH2+][C@H]1CCCN(CC(=O)NCCOCCOCC[NH3+])C1	ZINC001220519249	780223354	/nfs/dbraw/zinc/22/33/54/780223354.db2.gz	HVFJDHKSINNXPR-ZDUSSCGKSA-N	2	0	302.419	-1.222	20	0		DAADRP
COC(=O)CNC(=O)CNC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C	ZINC001220576218	780229883	/nfs/dbraw/zinc/22/98/83/780229883.db2.gz	VTTVJOMLDMOZCZ-NSHDSACASA-N	2	0	316.402	-1.113	20	0		DAADRP
CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CCCN1C(=O)C[NH3+]	ZINC001220583229	780231078	/nfs/dbraw/zinc/23/10/78/780231078.db2.gz	FULSMDCHLFNCQG-JTQLQIEISA-N	2	0	300.359	-1.714	20	0		DAADRP
C[C@@H]1COCCN1CCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001220724125	780242864	/nfs/dbraw/zinc/24/28/64/780242864.db2.gz	DZLHPXLXCUIQAR-OCCSQVGLSA-N	2	0	313.446	-1.426	20	0		DAADRP
[NH3+]CCCC[C@H]([NH3+])C(=O)NCCCN1CCS(=O)(=O)CC1	ZINC001220756295	780244049	/nfs/dbraw/zinc/24/40/49/780244049.db2.gz	AICTWFKVRIFOMX-LBPRGKRZSA-N	2	0	320.459	-1.321	20	0		DAADRP
COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1	ZINC001220768401	780244924	/nfs/dbraw/zinc/24/49/24/780244924.db2.gz	KAIYTQVZCFMUNN-UPJWGTAASA-N	2	0	319.402	-2.267	20	0		DAADRP
CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1	ZINC001220768355	780245890	/nfs/dbraw/zinc/24/58/90/780245890.db2.gz	IJCNBYMZHHNHPN-UPJWGTAASA-N	2	0	303.403	-1.239	20	0		DAADRP
COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1	ZINC001220771863	780247531	/nfs/dbraw/zinc/24/75/31/780247531.db2.gz	FGSTVHHPOQELRK-CHWSQXEVSA-N	2	0	323.397	-1.053	20	0		DAADRP
C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1	ZINC001220768689	780247547	/nfs/dbraw/zinc/24/75/47/780247547.db2.gz	YPGUJMBWXFRHAC-MJBXVCDLSA-N	2	0	317.430	-1.113	20	0		DAADRP
COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1	ZINC001220806412	780248635	/nfs/dbraw/zinc/24/86/35/780248635.db2.gz	BQGYCJMPYHSOGN-MJBXVCDLSA-N	2	0	317.430	-1.113	20	0		DAADRP
CSCC[C@H](NC(=O)[C@H](N)CN1CCC([NH3+])CC1)C(N)=O	ZINC001220839842	780250746	/nfs/dbraw/zinc/25/07/46/780250746.db2.gz	DSJQIIDRSJRXSG-MNOVXSKESA-N	2	0	317.459	-1.540	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)C[NH2+]C1	ZINC001220827412	780250895	/nfs/dbraw/zinc/25/08/95/780250895.db2.gz	MLJAXBJIWSNMNN-LLVKDONJSA-N	2	0	310.354	-2.147	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@@H]1O	ZINC001220829526	780250969	/nfs/dbraw/zinc/25/09/69/780250969.db2.gz	WCWPGWFVLWHETJ-UPJWGTAASA-N	2	0	303.403	-1.503	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CC[S@](C)=O)C[NH2+]C1	ZINC001220829111	780251206	/nfs/dbraw/zinc/25/12/06/780251206.db2.gz	XVDMXTPTIUOALW-LXGOIASLSA-N	2	0	303.384	-1.381	20	0		DAADRP
CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CSCNC(C)=O)C[NH2+]C1	ZINC001220851455	780252025	/nfs/dbraw/zinc/25/20/25/780252025.db2.gz	WKUJVYFPEONGPG-VIFPVBQESA-N	2	0	318.399	-1.838	20	0		DAADRP
CCOC(=O)C1(NC(=O)[C@H](CC(C)C)NC(=O)C[NH3+])C[NH2+]C1	ZINC001220851537	780252405	/nfs/dbraw/zinc/25/24/05/780252405.db2.gz	ZQAGCLHBRZABMJ-JTQLQIEISA-N	2	0	314.386	-1.503	20	0		DAADRP
CCOC(=O)C1(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[NH2+]C1	ZINC001220851224	780252520	/nfs/dbraw/zinc/25/25/20/780252520.db2.gz	MXJDRAPFSNOUFN-NSHDSACASA-N	3	0	310.398	-1.118	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C[NH3+])C(C)(C)C	ZINC001220859645	780252614	/nfs/dbraw/zinc/25/26/14/780252614.db2.gz	IBPFXONYHJYXOL-CIUDSAMLSA-N	2	0	301.391	-1.817	20	0		DAADRP
CCOC(=O)C1(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[NH2+]C1	ZINC001220851223	780252626	/nfs/dbraw/zinc/25/26/26/780252626.db2.gz	MXJDRAPFSNOUFN-LLVKDONJSA-N	3	0	310.398	-1.118	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccccc1C[NH3+]	ZINC001220855124	780253187	/nfs/dbraw/zinc/25/31/87/780253187.db2.gz	MYFNSWZVLJFVIM-CABZTGNLSA-N	2	0	321.381	-1.531	20	0		DAADRP
CCOC(=O)C1(NC(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)C[NH2+]C1	ZINC001220851480	780253527	/nfs/dbraw/zinc/25/35/27/780253527.db2.gz	XOBSNHNJGSHOGO-JTQLQIEISA-N	2	0	324.381	-1.877	20	0		DAADRP
O=C(NCCOCCN1C(=O)C=CC1=O)[C@H]1C[NH2+]CC12C[NH2+]C2	ZINC001220877414	780254940	/nfs/dbraw/zinc/25/49/40/780254940.db2.gz	ZDNYLJPFCNLWAT-LLVKDONJSA-N	2	0	322.365	-2.147	20	0		DAADRP
[NH3+]CCN(CCNC(=O)CNC1CC[NH2+]CC1)N(O)N=O	ZINC001220900332	780256167	/nfs/dbraw/zinc/25/61/67/780256167.db2.gz	HHHHCNFCIGFGCF-UHFFFAOYSA-N	2	0	303.367	-2.008	20	0		DAADRP
[NH3+]CCN(CCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)N(O)N=O	ZINC001220902856	780256813	/nfs/dbraw/zinc/25/68/13/780256813.db2.gz	CYYVBTXHIYDENU-SNVBAGLBSA-N	3	0	303.367	-2.022	20	0		DAADRP
[NH3+]CCN(CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)N(O)N=O	ZINC001220901399	780256873	/nfs/dbraw/zinc/25/68/73/780256873.db2.gz	YKWHBSSPRYEXAF-SECBINFHSA-N	3	0	301.351	-2.540	20	0		DAADRP
[NH3+][C@@H](C(=O)NCCOCCN1C(=O)C=CC1=O)C1CC[NH2+]CC1	ZINC001220878903	780256957	/nfs/dbraw/zinc/25/69/57/780256957.db2.gz	WAIMTBKHUZOQJZ-CQSZACIVSA-N	2	0	324.381	-1.629	20	0		DAADRP
[NH3+]CCCC[C@H]([NH3+])CC(=O)NCCN(CC[NH3+])N(O)N=O	ZINC001220903078	780258497	/nfs/dbraw/zinc/25/84/97/780258497.db2.gz	KMQFRZLWAWTRCE-JTQLQIEISA-N	3	0	305.383	-1.503	20	0		DAADRP
CC(C)(C)OC[C@H]([NH3+])C(=O)NCCN(CC[NH3+])N(O)N=O	ZINC001220903527	780258974	/nfs/dbraw/zinc/25/89/74/780258974.db2.gz	UJVUYSGRFFSAFA-VIFPVBQESA-N	2	0	306.367	-1.207	20	0		DAADRP
[NH3+]CCN(CCNC(=O)[C@@H]([NH3+])C1CCC(O)CC1)N(O)N=O	ZINC001220903349	780259136	/nfs/dbraw/zinc/25/91/36/780259136.db2.gz	QUQUCROMLNWQRG-ILDUYXDCSA-N	2	0	318.378	-1.471	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O	ZINC001220981544	780267754	/nfs/dbraw/zinc/26/77/54/780267754.db2.gz	WSHCYDSBDFEQLO-MCIONIFRSA-N	2	0	315.414	-1.502	20	0		DAADRP
COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1	ZINC001221006670	780268181	/nfs/dbraw/zinc/26/81/81/780268181.db2.gz	LDVLDZJWBLPNFS-AVGNSLFASA-N	2	0	324.425	-1.015	20	0		DAADRP
C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](CCC(=O)OC)C(N)=O	ZINC001221018811	780271467	/nfs/dbraw/zinc/27/14/67/780271467.db2.gz	KJTJWCFJBDNUHD-UWVGGRQHSA-N	2	0	302.375	-1.373	20	0		DAADRP
COCCC1([NH3+])CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1	ZINC001221133957	780278201	/nfs/dbraw/zinc/27/82/01/780278201.db2.gz	DHPRSJAZDMABIJ-LBPRGKRZSA-N	2	0	312.414	-1.327	20	0		DAADRP
COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]([NH3+])CCCNC(N)=O	ZINC001221187636	780281480	/nfs/dbraw/zinc/28/14/80/780281480.db2.gz	CQZZWNIQEQJIGO-BDAKNGLRSA-N	2	0	303.363	-1.841	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@]1(C)CCC[N@H+](C)C1	ZINC001221244318	780285452	/nfs/dbraw/zinc/28/54/52/780285452.db2.gz	WGJAMDVPQONLSJ-PKFCDNJMSA-N	2	0	313.402	-1.706	20	0		DAADRP
C[N@@H+]1CCC[C@](C)(NC(=O)CN(CC[NH3+])S(C)(=O)=O)C1	ZINC001221241330	780285931	/nfs/dbraw/zinc/28/59/31/780285931.db2.gz	SOSWOIFYOBEQPV-LBPRGKRZSA-N	2	0	306.432	-1.193	20	0		DAADRP
COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)C[NH2+]CCC[NH3+]	ZINC001221256623	780286508	/nfs/dbraw/zinc/28/65/08/780286508.db2.gz	FNHNFDPPGGLREX-LBPRGKRZSA-N	2	0	311.386	-1.051	20	0		DAADRP
C[N@@H+]1C[C@@H](C(=O)NC2=CC(=O)NCC2)OC2(CC[NH2+]CC2)C1	ZINC001221316912	780290693	/nfs/dbraw/zinc/29/06/93/780290693.db2.gz	NVMPFKWRDCSAIT-LBPRGKRZSA-N	2	0	308.382	-1.041	20	0		DAADRP
O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@H]1CCS(=O)(=O)C12C[NH2+]C2	ZINC001221367226	780291507	/nfs/dbraw/zinc/29/15/07/780291507.db2.gz	NVOQVPFFOUOXFB-OPRDCNLKSA-N	2	0	305.375	-1.421	20	0		DAADRP
C[NH+]1CCC(CO)(NC(=O)CN2CCCC[C@H]([NH3+])C2=O)CC1	ZINC001221402741	780291704	/nfs/dbraw/zinc/29/17/04/780291704.db2.gz	LMKFDTUHWROUFQ-LBPRGKRZSA-N	2	0	312.414	-1.101	20	0		DAADRP
C[NH+]1CCC(CO)(NC(=O)CN(CC[NH3+])S(C)(=O)=O)CC1	ZINC001221402295	780292413	/nfs/dbraw/zinc/29/24/13/780292413.db2.gz	CEMFGRWSGAVHGG-UHFFFAOYSA-N	2	0	322.431	-2.220	20	0		DAADRP
CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1COC2(C[NH2+]C2)CN1	ZINC001221389037	780292449	/nfs/dbraw/zinc/29/24/49/780292449.db2.gz	HEEFGYRNGVZXFD-LLVKDONJSA-N	3	0	312.418	-1.619	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])CCN1CCOCC1	ZINC001236310020	780420024	/nfs/dbraw/zinc/42/00/24/780420024.db2.gz	RJLKLXZBJKLZGD-UHFFFAOYSA-N	2	0	301.435	-1.566	20	0		DAADRP
c1c(CN2CC[NH2+]CCNCC[NH2+]CC2)nc2n1CCOC2	ZINC001235871270	780420303	/nfs/dbraw/zinc/42/03/03/780420303.db2.gz	RHXXTZBQSUPKCY-UHFFFAOYSA-N	2	0	308.430	-1.002	20	0		DAADRP
O=C(CCNS(=O)(=O)C1CC[NH2+]CC1)N1CC[NH2+]CC1	ZINC001238181756	780435349	/nfs/dbraw/zinc/43/53/49/780435349.db2.gz	KWFFRWHHDPJTBC-UHFFFAOYSA-N	2	0	304.416	-1.520	20	0		DAADRP
O=C(CCNS(=O)(=O)CC1CC[NH2+]CC1)N1CC[NH2+]CC1	ZINC001238181433	780435796	/nfs/dbraw/zinc/43/57/96/780435796.db2.gz	HTRMJXSSDKKKNB-UHFFFAOYSA-N	2	0	318.443	-1.273	20	0		DAADRP
O=S(=O)(NCc1nnc2n1CCC[NH2+]C2)[C@H]1CC[NH2+]C1	ZINC001238255577	780436855	/nfs/dbraw/zinc/43/68/55/780436855.db2.gz	ILVYVIAOCZWXHL-VIFPVBQESA-N	2	0	300.388	-1.447	20	0		DAADRP
CCOC(=O)C[C@]1(NS(=O)(=O)[C@@H]2CC[NH2+]C2)CC[NH2+]C1	ZINC001238220492	780437188	/nfs/dbraw/zinc/43/71/88/780437188.db2.gz	LASOYWHXNLBOGX-ZYHUDNBSSA-N	2	0	305.400	-1.047	20	0		DAADRP
COC(=O)[C@@H](NS(=O)(=O)C1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1	ZINC001238898258	780438997	/nfs/dbraw/zinc/43/89/97/780438997.db2.gz	PQTCJNQJGFDUHM-KOLCDFICSA-N	2	0	305.400	-1.191	20	0		DAADRP
NC(=O)[C@@H]([NH3+])CCCCNS(=O)(=O)CC1CC[NH2+]CC1	ZINC001238837091	780439270	/nfs/dbraw/zinc/43/92/70/780439270.db2.gz	QFCWSXOUHUAZCC-NSHDSACASA-N	2	0	306.432	-1.112	20	0		DAADRP
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NS(=O)(=O)CC[NH3+])CC1	ZINC001238827772	780439616	/nfs/dbraw/zinc/43/96/16/780439616.db2.gz	FJWASKTZTYMAEC-XYPYZODXSA-N	2	0	306.432	-1.147	20	0		DAADRP
CCOC(=O)C1(NS(=O)(=O)[C@@H]2CC[NH2+]C2)CC[NH2+]CC1	ZINC001238886310	780439778	/nfs/dbraw/zinc/43/97/78/780439778.db2.gz	CXVQQQXQDZXDLR-SNVBAGLBSA-N	2	0	305.400	-1.047	20	0		DAADRP
O=S(=O)(CC1CC[NH2+]CC1)N1CCN[C@]2(CC[NH2+]C2)C1	ZINC001239032591	780440472	/nfs/dbraw/zinc/44/04/72/780440472.db2.gz	OIKXPXWUHLVLBH-ZDUSSCGKSA-N	2	0	302.444	-1.047	20	0		DAADRP
O=C1NCC[C@@]12CN(S(=O)(=O)[C@H]1CC[NH2+]C1)CC21C[NH2+]C1	ZINC001239014896	780441002	/nfs/dbraw/zinc/44/10/02/780441002.db2.gz	ZOVDBENQKUVDLU-GXFFZTMASA-N	2	0	314.411	-1.910	20	0		DAADRP
O=C1CCC[C@@]2(C[NH2+]CCN(S(=O)(=O)[C@@H]3CC[NH2+]C3)C2)N1	ZINC001239045414	780441141	/nfs/dbraw/zinc/44/11/41/780441141.db2.gz	GZXWIDMERUWNGV-YPMHNXCESA-N	2	0	316.427	-1.378	20	0		DAADRP
O=S(=O)([C@@H]1CC[NH2+]C1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1	ZINC001239043541	780441157	/nfs/dbraw/zinc/44/11/57/780441157.db2.gz	DSPYZSKRNOOOIV-OLZOCXBDSA-N	2	0	319.427	-1.241	20	0		DAADRP
O=C1CCC[C@@]2(C[NH2+]CCN(S(=O)(=O)[C@H]3CC[NH2+]C3)C2)N1	ZINC001239045392	780441209	/nfs/dbraw/zinc/44/12/09/780441209.db2.gz	GZXWIDMERUWNGV-AAEUAGOBSA-N	2	0	316.427	-1.378	20	0		DAADRP
[NH3+]CCS(=O)(=O)N1CCC(C(=O)N2CC[NH2+]CC2)CC1	ZINC001239060246	780441341	/nfs/dbraw/zinc/44/13/41/780441341.db2.gz	NTOPCMNALVAGGM-UHFFFAOYSA-N	2	0	304.416	-1.581	20	0		DAADRP
O=C1CCC[C@]2(C[NH2+]CCN(S(=O)(=O)[C@H]3CC[NH2+]C3)C2)N1	ZINC001239045411	780441360	/nfs/dbraw/zinc/44/13/60/780441360.db2.gz	GZXWIDMERUWNGV-WCQYABFASA-N	2	0	316.427	-1.378	20	0		DAADRP
O=C1NCC[C@@]12CN(S(=O)(=O)[C@@H]1CC[NH2+]C1)CC21C[NH2+]C1	ZINC001239014903	780441407	/nfs/dbraw/zinc/44/14/07/780441407.db2.gz	ZOVDBENQKUVDLU-ZWNOBZJWSA-N	2	0	314.411	-1.910	20	0		DAADRP
CS(=O)(=O)c1ccccc1S(=O)(=O)N(CC[NH3+])CC[NH3+]	ZINC001239096283	780442071	/nfs/dbraw/zinc/44/20/71/780442071.db2.gz	GDKOQDCYHRVPLQ-UHFFFAOYSA-N	2	0	321.424	-1.002	20	0		DAADRP
COC(=O)[C@H]1C[C@@H]([NH3+])CN(S(=O)(=O)C2CC[NH2+]CC2)C1	ZINC001239087318	780442198	/nfs/dbraw/zinc/44/21/98/780442198.db2.gz	LUZZXLJSLQUKIC-VHSXEESVSA-N	2	0	305.400	-1.110	20	0		DAADRP
CS(=O)(=O)c1ccc(S(=O)(=O)N(CC[NH3+])CC[NH3+])cc1	ZINC001239096124	780442347	/nfs/dbraw/zinc/44/23/47/780442347.db2.gz	CBKXABAIQOIBPF-UHFFFAOYSA-N	2	0	321.424	-1.002	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1S(=O)(=O)[C@@H]1CC[NH2+]C1	ZINC001239063773	780442597	/nfs/dbraw/zinc/44/25/97/780442597.db2.gz	XUUSYBLMVOSRSL-WHOHXGKFSA-N	2	0	317.411	-1.097	20	0		DAADRP
CS(=O)(=O)c1cccc(S(=O)(=O)N(CC[NH3+])CC[NH3+])c1	ZINC001239096109	780442797	/nfs/dbraw/zinc/44/27/97/780442797.db2.gz	AYSIFASTEPCYCA-UHFFFAOYSA-N	2	0	321.424	-1.002	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1c[nH]cn1	ZINC001239130345	780443365	/nfs/dbraw/zinc/44/33/65/780443365.db2.gz	AJYLVCIOFBNZGV-UHFFFAOYSA-N	2	0	318.403	-1.786	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)C(F)(F)F	ZINC001239131534	780443928	/nfs/dbraw/zinc/44/39/28/780443928.db2.gz	PQBVRSHFEYIDJF-UHFFFAOYSA-N	2	0	320.337	-1.048	20	0		DAADRP
COCCS(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+]	ZINC001239131391	780444091	/nfs/dbraw/zinc/44/40/91/780444091.db2.gz	OEXYAKJWQJKLTA-UHFFFAOYSA-N	2	0	310.420	-1.922	20	0		DAADRP
O[C@H](CN1CCN[C@H]2CC[NH2+]CC[C@@H]21)CC1(O)CC[NH2+]CC1	ZINC001246025440	780447582	/nfs/dbraw/zinc/44/75/82/780447582.db2.gz	REFGIZYWAVIHTG-KKUMJFAQSA-N	2	0	312.458	-1.122	20	0		DAADRP
O=C1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)[C@]2(CC[NH2+]C2)CN1	ZINC001246021024	780447615	/nfs/dbraw/zinc/44/76/15/780447615.db2.gz	DKYJBEFEDYMFOY-OCCSQVGLSA-N	2	0	312.414	-1.984	20	0		DAADRP
[NH3+]CCOCCOCC[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1	ZINC001245993890	780447683	/nfs/dbraw/zinc/44/76/83/780447683.db2.gz	IRYUVUXZNPMMJO-CYBMUJFWSA-N	3	0	305.419	-1.567	20	0		DAADRP
COC(=O)[C@H](NC[C@@H](O)CC1(O)CC[NH2+]CC1)[C@H]1CC[NH2+]C1	ZINC001246016197	780447906	/nfs/dbraw/zinc/44/79/06/780447906.db2.gz	SWSQAGZPCMRPDJ-RWMBFGLXSA-N	2	0	315.414	-1.407	20	0		DAADRP
COC(=O)[C@@H]1C[NH2+]CCN1C[C@@H](O)CC1(O)CC[NH2+]CC1	ZINC001246028108	780447934	/nfs/dbraw/zinc/44/79/34/780447934.db2.gz	ZFTNNXJTCVYOQE-RYUDHWBXSA-N	2	0	301.387	-1.701	20	0		DAADRP
[NH3+]CCOCCOCC[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1	ZINC001245993895	780447984	/nfs/dbraw/zinc/44/79/84/780447984.db2.gz	IRYUVUXZNPMMJO-ZDUSSCGKSA-N	3	0	305.419	-1.567	20	0		DAADRP
COC(=O)[C@H]1C[NH2+]CCN1C[C@@H](O)CC1(O)CC[NH2+]CC1	ZINC001246028071	780447991	/nfs/dbraw/zinc/44/79/91/780447991.db2.gz	ZFTNNXJTCVYOQE-NWDGAFQWSA-N	2	0	301.387	-1.701	20	0		DAADRP
COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)CN1	ZINC001245981893	780448183	/nfs/dbraw/zinc/44/81/83/780448183.db2.gz	CXHSBMJLTOUJNX-TUAOUCFPSA-N	2	0	301.387	-1.655	20	0		DAADRP
O[C@H](C[NH2+]CCCN1CC[NH2+]CC1)CC1(O)CC[NH2+]CC1	ZINC001245983164	780448202	/nfs/dbraw/zinc/44/82/02/780448202.db2.gz	UGICPOGCXBBUHP-AWEZNQCLSA-N	3	0	300.447	-1.263	20	0		DAADRP
O[C@@H](CNCc1nnn2c1C[NH2+]CCC2)CC1(O)CC[NH2+]CC1	ZINC001245985656	780448206	/nfs/dbraw/zinc/44/82/06/780448206.db2.gz	MSQNAJOISJFOJF-GFCCVEGCSA-N	2	0	324.429	-1.274	20	0		DAADRP
O=C1CNCCN1CC[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1	ZINC001246008650	780448236	/nfs/dbraw/zinc/44/82/36/780448236.db2.gz	DIIPAYVWLJQBBE-GFCCVEGCSA-N	2	0	300.403	-2.127	20	0		DAADRP
O[C@@H](C[NH2+]C[C@H]1C[C@H]2C[NH2+]CCN2C1)CC1(O)CC[NH2+]CC1	ZINC001245982032	780448262	/nfs/dbraw/zinc/44/82/62/780448262.db2.gz	CBTBYCBVGJIFNI-QLFBSQMISA-N	3	0	312.458	-1.265	20	0		DAADRP
C[C@@H](CN1CC[NH2+]CC1)[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1	ZINC001245973784	780448357	/nfs/dbraw/zinc/44/83/57/780448357.db2.gz	ICMVTCVGZAFBKX-KBPBESRZSA-N	3	0	300.447	-1.265	20	0		DAADRP
COC(=O)[C@@H]1C[NH2+]CCN1C[C@H](O)CC1(O)CC[NH2+]CC1	ZINC001246028070	780448457	/nfs/dbraw/zinc/44/84/57/780448457.db2.gz	ZFTNNXJTCVYOQE-NEPJUHHUSA-N	2	0	301.387	-1.701	20	0		DAADRP
COC(=O)[C@H](NC[C@H](O)CC1(O)CC[NH2+]CC1)[C@H]1CC[NH2+]C1	ZINC001246016198	780448530	/nfs/dbraw/zinc/44/85/30/780448530.db2.gz	SWSQAGZPCMRPDJ-YNEHKIRRSA-N	2	0	315.414	-1.407	20	0		DAADRP
COC(=O)[C@@H]1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1[NH3+]	ZINC001246052820	780449170	/nfs/dbraw/zinc/44/91/70/780449170.db2.gz	OXPDKLILJXSSPG-IJLUTSLNSA-N	2	0	301.387	-1.716	20	0		DAADRP
O=C([C@@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@H]2O)C[NH2+]1)N1CCSC1	ZINC001246084566	780449195	/nfs/dbraw/zinc/44/91/95/780449195.db2.gz	FWUHBWVCANLODP-NNYUYHANSA-N	2	0	300.428	-1.438	20	0		DAADRP
[NH3+]C1CN([C@@H]2CCC[N@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C2)C1	ZINC001246046886	780449325	/nfs/dbraw/zinc/44/93/25/780449325.db2.gz	APCQXTNPHLTQOI-CABCVRRESA-N	3	0	312.458	-1.041	20	0		DAADRP
COC(=O)[C@H](O)C[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1	ZINC001246047913	780449398	/nfs/dbraw/zinc/44/93/98/780449398.db2.gz	VDOIKPAWCJVGRV-IXRFVVGDSA-N	2	0	312.366	-1.149	20	0		DAADRP
COC(=O)[C@@H]1C[C@H]([NH3+])CN1C[C@@H](O)CC1(O)CC[NH2+]CC1	ZINC001246067649	780449441	/nfs/dbraw/zinc/44/94/41/780449441.db2.gz	USQAAQOSMGJEHC-SRVKXCTJSA-N	2	0	301.387	-1.574	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])CC1(O)CCOCC1	ZINC001246052879	780449586	/nfs/dbraw/zinc/44/95/86/780449586.db2.gz	MGPYDZSZGKSNCG-UHFFFAOYSA-N	2	0	302.419	-1.356	20	0		DAADRP
COC(=O)C[C@H]1C[NH2+]CCN1C[C@@H](O)CC1(O)CC[NH2+]CC1	ZINC001246047962	780449641	/nfs/dbraw/zinc/44/96/41/780449641.db2.gz	YNYBBTUIEBQKBF-STQMWFEESA-N	2	0	315.414	-1.311	20	0		DAADRP
CC(C)(C)OC(=O)[C@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1	ZINC001246056787	780449847	/nfs/dbraw/zinc/44/98/47/780449847.db2.gz	PMONHIVKMRTHRI-CYBMUJFWSA-N	2	0	316.446	-1.227	20	0		DAADRP
COC(=O)[C@@H]1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C[C@@H]1[NH3+]	ZINC001246052824	780449864	/nfs/dbraw/zinc/44/98/64/780449864.db2.gz	OXPDKLILJXSSPG-TUAOUCFPSA-N	2	0	301.387	-1.716	20	0		DAADRP
COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C[C@@H](O)CC1(O)CC[NH2+]CC1	ZINC001246058103	780449948	/nfs/dbraw/zinc/44/99/48/780449948.db2.gz	USQAAQOSMGJEHC-WOPDTQHZSA-N	2	0	301.387	-1.574	20	0		DAADRP
COC(=O)[C@@H]1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)C[C@@H]1[NH3+]	ZINC001246052825	780449989	/nfs/dbraw/zinc/44/99/89/780449989.db2.gz	OXPDKLILJXSSPG-UTUOFQBUSA-N	2	0	301.387	-1.716	20	0		DAADRP
COC(=O)[C@H](CC[NH3+])N[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1	ZINC001246155836	780450642	/nfs/dbraw/zinc/45/06/42/780450642.db2.gz	YVLPBKKKFISJIP-VWYCJHECSA-N	2	0	316.427	-1.270	20	0		DAADRP
O=S1(=O)CC[C@@H]([NH2+][C@H]2CCOC3(C[NH2+]C3)C2)C12CNC2	ZINC001246151390	780450747	/nfs/dbraw/zinc/45/07/47/780450747.db2.gz	YKHCYWXWXFQOMQ-WDEREUQCSA-N	2	0	301.412	-1.374	20	0		DAADRP
O=S(=O)(CC[NH2+][C@@H]1CSC2(C[NH2+]C2)C1)N1CCNCC1	ZINC001246102719	780450891	/nfs/dbraw/zinc/45/08/91/780450891.db2.gz	SPSNJYMDPKFDOL-NSHDSACASA-N	2	0	320.484	-1.342	20	0		DAADRP
O=C([C@@H]1C[C@H](NC[C@@]23C[NH2+][C@@H](CO2)C3)C[NH2+]1)N1CCSC1	ZINC001246145926	780451047	/nfs/dbraw/zinc/45/10/47/780451047.db2.gz	GFNNJIKRLSSINE-OPDFLTKYSA-N	2	0	312.439	-1.030	20	0		DAADRP
O=S1(=O)CC[C@H]([NH2+][C@H]2CCOC3(C[NH2+]C3)C2)C12CNC2	ZINC001246151388	780451156	/nfs/dbraw/zinc/45/11/56/780451156.db2.gz	YKHCYWXWXFQOMQ-QWRGUYRKSA-N	2	0	301.412	-1.374	20	0		DAADRP
O=C([C@@H]1C[C@@H](N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[NH2+]1)N1CCSC1	ZINC001246151202	780451195	/nfs/dbraw/zinc/45/11/95/780451195.db2.gz	ZMWDMUWBOGKVGP-NAWOPXAZSA-N	2	0	312.439	-1.174	20	0		DAADRP
O=S1(=O)CC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C12CNC2	ZINC001246140193	780451222	/nfs/dbraw/zinc/45/12/22/780451222.db2.gz	FZPKSOVVYBGFIJ-MNOVXSKESA-N	2	0	300.428	-1.801	20	0		DAADRP
COC(=O)[C@@H]1C[C@H]([NH2+]CCOCCOCCOCC[NH3+])CN1	ZINC001246289195	780452039	/nfs/dbraw/zinc/45/20/39/780452039.db2.gz	NVGSNLHBBJJXKX-STQMWFEESA-N	2	0	319.402	-1.512	20	0		DAADRP
O=C([C@@H]1C[C@@H](N[C@]2(CO)CC[NH2+]C2)C[NH2+]1)N1CCSC1	ZINC001246286881	780452089	/nfs/dbraw/zinc/45/20/89/780452089.db2.gz	HZSUABGRAMUYCB-NTZNESFSSA-N	2	0	300.428	-1.436	20	0		DAADRP
O=C([C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@H]2O)CN1)N1CCSC1	ZINC001246240336	780452289	/nfs/dbraw/zinc/45/22/89/780452289.db2.gz	VGAVWNAUVDJIBT-QNWHQSFQSA-N	2	0	314.455	-1.190	20	0		DAADRP
O=C([C@@H]1C[C@H](NC[C@@]2(O)CC[NH2+]C2)C[NH2+]1)N1CCSC1	ZINC001246217930	780452480	/nfs/dbraw/zinc/45/24/80/780452480.db2.gz	NTBQLAIYBMFHOR-GMXVVIOVSA-N	2	0	300.428	-1.436	20	0		DAADRP
O=C([C@@H]1C[C@@H](NC[C@]2(O)CC[NH2+]C2)C[NH2+]1)N1CCSC1	ZINC001246217933	780452724	/nfs/dbraw/zinc/45/27/24/780452724.db2.gz	NTBQLAIYBMFHOR-MDZLAQPJSA-N	2	0	300.428	-1.436	20	0		DAADRP
O=C([C@@H]1C[C@H](N[C@]2(CCO)CC[NH2+]C2)C[NH2+]1)N1CCSC1	ZINC001246295836	780452772	/nfs/dbraw/zinc/45/27/72/780452772.db2.gz	PPNRLGWKELFMSA-OBJOEFQTSA-N	2	0	314.455	-1.046	20	0		DAADRP
CO[C@H]1C[NH2+]C[C@@H]1N[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1	ZINC001246238607	780453007	/nfs/dbraw/zinc/45/30/07/780453007.db2.gz	GEBRVWGCPYPGLG-RHYQMDGZSA-N	2	0	300.428	-1.174	20	0		DAADRP
COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@@H]1CCNC2(C[NH2+]C2)C1	ZINC001246214815	780453097	/nfs/dbraw/zinc/45/30/97/780453097.db2.gz	SNYWEMNNCYMQFZ-MNOVXSKESA-N	2	0	312.418	-1.525	20	0		DAADRP
COC(=O)[C@@H]1C[C@@H]([NH2+]CCOCCOCCOCC[NH3+])CN1	ZINC001246289190	780453269	/nfs/dbraw/zinc/45/32/69/780453269.db2.gz	NVGSNLHBBJJXKX-OLZOCXBDSA-N	2	0	319.402	-1.512	20	0		DAADRP
CC(C)[C@H](NC(=O)[C@H](C)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(N)=O	ZINC001246480140	780453936	/nfs/dbraw/zinc/45/39/36/780453936.db2.gz	CLAIPQALXYGKQV-SRVKXCTJSA-N	2	0	311.430	-1.315	20	0		DAADRP
O=S1(=O)CCN(CCC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1	ZINC001246335748	780453951	/nfs/dbraw/zinc/45/39/51/780453951.db2.gz	LXLWGOLJHAPKCF-CYBMUJFWSA-N	2	0	316.471	-1.210	20	0		DAADRP
O=C1C=CC(=O)N1CCOCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1	ZINC001246355083	780454062	/nfs/dbraw/zinc/45/40/62/780454062.db2.gz	HYCJAYAIOLMADC-GFCCVEGCSA-N	2	0	308.382	-1.388	20	0		DAADRP
CS(=O)(=O)N1CCC([NH2+]CCCC[C@H]([NH3+])C(N)=O)CC1	ZINC001246420733	780454209	/nfs/dbraw/zinc/45/42/09/780454209.db2.gz	ZUYAFLDGBQFGLK-NSHDSACASA-N	2	0	306.432	-1.017	20	0		DAADRP
COC(=O)[C@@H]1CC[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CN1	ZINC001246354614	780454319	/nfs/dbraw/zinc/45/43/19/780454319.db2.gz	XBJBGFSIKDDZHL-UWVGGRQHSA-N	2	0	304.351	-1.582	20	0		DAADRP
O=S1(=O)CCN(CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1	ZINC001246336820	780454376	/nfs/dbraw/zinc/45/43/76/780454376.db2.gz	QGORKQLOIMGBCT-GFCCVEGCSA-N	2	0	302.444	-1.600	20	0		DAADRP
O=S1(=O)CCN(CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1	ZINC001246336821	780454401	/nfs/dbraw/zinc/45/44/01/780454401.db2.gz	QGORKQLOIMGBCT-LBPRGKRZSA-N	2	0	302.444	-1.600	20	0		DAADRP
C[C@@H]1C[C@@H]([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CC[NH2+]1	ZINC001246524126	780454887	/nfs/dbraw/zinc/45/48/87/780454887.db2.gz	JQGCUSBFJJYDNA-IXAOELMOSA-N	2	0	304.387	-1.439	20	0		DAADRP
O=C([C@@H]1C[C@@H](N2CC[NH2+]C[C@H](O)C2)C[NH2+]1)N1CCSC1	ZINC001246597267	780455633	/nfs/dbraw/zinc/45/56/33/780455633.db2.gz	FZDFUVSFCAMDLU-WOPDTQHZSA-N	2	0	300.428	-1.484	20	0		DAADRP
[NH3+][C@@H]1C[C@@H](O)CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1	ZINC001246541578	780455655	/nfs/dbraw/zinc/45/56/55/780455655.db2.gz	OYFFWTAJFPGSQF-KKOKHZNYSA-N	2	0	300.428	-1.356	20	0		DAADRP
C[C@H]1C[C@H]([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CC[NH2+]1	ZINC001246524124	780455791	/nfs/dbraw/zinc/45/57/91/780455791.db2.gz	JQGCUSBFJJYDNA-DQDHUVNJSA-N	2	0	304.387	-1.439	20	0		DAADRP
CCOC(=O)C[C@H]1C(=O)NCCN1[C@@H]1CCNC2(C[NH2+]C2)C1	ZINC001246773316	780456746	/nfs/dbraw/zinc/45/67/46/780456746.db2.gz	AOUUCWPEPRYYBW-NEPJUHHUSA-N	2	0	310.398	-1.166	20	0		DAADRP
CC(=O)N1CC(=O)NC[C@]12CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2	ZINC001246761879	780456848	/nfs/dbraw/zinc/45/68/48/780456848.db2.gz	WNFZWYZMQDWQQK-CJNGLKHVSA-N	2	0	321.425	-1.497	20	0		DAADRP
O=C([C@@H]1C[C@@H](N2CCO[C@H]3C[NH2+]C[C@H]32)C[NH2+]1)N1CCSC1	ZINC001246666977	780456888	/nfs/dbraw/zinc/45/68/88/780456888.db2.gz	WPJHYKLMHITVCG-XQHKEYJVSA-N	2	0	312.439	-1.078	20	0		DAADRP
COC(=O)[C@@H]1CC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CN1	ZINC001246821948	780457241	/nfs/dbraw/zinc/45/72/41/780457241.db2.gz	PQIRYRHVSZWGEE-KBPBESRZSA-N	2	0	313.446	-1.636	20	0		DAADRP
O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@H]1CN2C[C@H]1[NH2+]CC2)O3	ZINC001247010805	780457968	/nfs/dbraw/zinc/45/79/68/780457968.db2.gz	PDQJWVQTZPHMHO-BNDIWNMDSA-N	2	0	314.411	-2.213	20	0		DAADRP
COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1	ZINC001246910757	780458060	/nfs/dbraw/zinc/45/80/60/780458060.db2.gz	LJYDWDAIFLUYNP-NEPJUHHUSA-N	2	0	310.398	-1.166	20	0		DAADRP
CO[C@@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@@H]1[NH3+]	ZINC001246983838	780458245	/nfs/dbraw/zinc/45/82/45/780458245.db2.gz	UBUFVIIFNZVWAB-FIQHERPVSA-N	2	0	300.428	-1.092	20	0		DAADRP
COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1	ZINC001246910760	780458330	/nfs/dbraw/zinc/45/83/30/780458330.db2.gz	LJYDWDAIFLUYNP-RYUDHWBXSA-N	2	0	310.398	-1.166	20	0		DAADRP
O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@@H]1C[NH2+]CC[C@H]1F)O3	ZINC001247007140	780458335	/nfs/dbraw/zinc/45/83/35/780458335.db2.gz	BNGIAVCDENVABY-JCIQBVFBSA-N	2	0	305.375	-1.169	20	0		DAADRP
O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@H]1CC[NH2+]C[C@@H]1F)O3	ZINC001247012600	780460111	/nfs/dbraw/zinc/46/01/11/780460111.db2.gz	UZQABXDVOFQANN-DGORSVRFSA-N	2	0	305.375	-1.169	20	0		DAADRP
C[N@@H+]1CCCN(CC[NH2+]C[C@H](O)CN2CCOCC2)CC1	ZINC001251039703	780464938	/nfs/dbraw/zinc/46/49/38/780464938.db2.gz	KJSQHQZXLZXBLC-HNNXBMFYSA-N	2	0	300.447	-1.093	20	0		DAADRP
C[N@@H+]1CCCN(CC[NH2+]C[C@@H](O)CN2CCOCC2)CC1	ZINC001251039704	780465040	/nfs/dbraw/zinc/46/50/40/780465040.db2.gz	KJSQHQZXLZXBLC-OAHLLOKOSA-N	2	0	300.447	-1.093	20	0		DAADRP
CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O	ZINC001258902733	780523634	/nfs/dbraw/zinc/52/36/34/780523634.db2.gz	YXYFMKZXXKMGDW-OJVARPOJSA-N	2	0	320.430	-1.114	20	0		DAADRP
CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC001258902731	780523765	/nfs/dbraw/zinc/52/37/65/780523765.db2.gz	YXYFMKZXXKMGDW-BXLXJSPXSA-N	2	0	320.430	-1.114	20	0		DAADRP
C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]1	ZINC001261554716	780549141	/nfs/dbraw/zinc/54/91/41/780549141.db2.gz	LILZVROAGFZQMS-FVCCEPFGSA-N	2	0	310.398	-1.480	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1	ZINC001261838623	780561414	/nfs/dbraw/zinc/56/14/14/780561414.db2.gz	LIECAXXYYIMDHD-LBPRGKRZSA-N	2	0	300.403	-1.170	20	0		DAADRP
C[NH+]1CCC(NC(=O)CN(CCO)CCOCCO)CC1	ZINC001262014735	780565353	/nfs/dbraw/zinc/56/53/53/780565353.db2.gz	QXYQPAIQDZUVAQ-UHFFFAOYSA-N	2	0	303.403	-1.500	20	0		DAADRP
CNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C	ZINC001264970511	780588177	/nfs/dbraw/zinc/58/81/77/780588177.db2.gz	URQJUWGOUILAJW-NSHDSACASA-N	2	0	313.402	-1.026	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)C1	ZINC001265531254	780603435	/nfs/dbraw/zinc/60/34/35/780603435.db2.gz	DQFKDYVUQAVGKQ-GRYCIOLGSA-N	2	0	318.443	-1.133	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O	ZINC001283830870	780782007	/nfs/dbraw/zinc/78/20/07/780782007.db2.gz	HKZFEHJCZAESBL-WDEREUQCSA-N	2	0	314.386	-1.802	20	0		DAADRP
C[NH+](C)CCOCC(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1	ZINC001284893476	780843747	/nfs/dbraw/zinc/84/37/47/780843747.db2.gz	QSTBWRLPNADGOG-CYBMUJFWSA-N	2	0	312.414	-1.014	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCCC[NH2+]CCN1CCNC1=O	ZINC001171204661	781382274	/nfs/dbraw/zinc/38/22/74/781382274.db2.gz	DZWZNHWAJUZNMT-UHFFFAOYSA-N	2	0	315.418	-1.314	20	0		DAADRP
Cn1[nH]c(C[NH2+]CCCNC(=O)COCC[NH+](C)C)nc1=O	ZINC001171204909	781382482	/nfs/dbraw/zinc/38/24/82/781382482.db2.gz	HUWQWIIDJFBAFF-UHFFFAOYSA-N	2	0	314.390	-1.718	20	0		DAADRP
CC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC	ZINC001146710294	781418669	/nfs/dbraw/zinc/41/86/69/781418669.db2.gz	JZBVYTOQWPMMKY-SNVBAGLBSA-N	2	0	301.391	-1.122	20	0		DAADRP
CS(=O)(=O)NCC[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2	ZINC001171294671	781432433	/nfs/dbraw/zinc/43/24/33/781432433.db2.gz	VPDMJEYOHAOQOA-UHFFFAOYSA-N	2	0	318.443	-1.273	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O	ZINC001147892103	781458736	/nfs/dbraw/zinc/45/87/36/781458736.db2.gz	IBCRWANOJRNCBV-UHFFFAOYSA-N	2	0	315.374	-2.178	20	0		DAADRP
CCN1CC[C@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C1=O	ZINC001147893435	781459123	/nfs/dbraw/zinc/45/91/23/781459123.db2.gz	QFKNLOVHFWFQMN-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
CC(=O)NCCOCC[NH2+]CCNC(=O)COCC[NH+](C)C	ZINC001147886058	781459387	/nfs/dbraw/zinc/45/93/87/781459387.db2.gz	SIIKZCWVLJQDIY-UHFFFAOYSA-N	2	0	318.418	-1.577	20	0		DAADRP
CN(CC[NH2+]CCNC(=O)COCC[NH+](C)C)S(C)(=O)=O	ZINC001147848333	781459573	/nfs/dbraw/zinc/45/95/73/781459573.db2.gz	KXDNCLYTZJFYLW-UHFFFAOYSA-N	2	0	324.447	-1.838	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001147899981	781460414	/nfs/dbraw/zinc/46/04/14/781460414.db2.gz	FTMFXFRYTCRGAL-GHMZBOCLSA-N	2	0	313.402	-1.122	20	0		DAADRP
O=C(C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2)NC(=O)NC1CC1	ZINC001147977390	781460772	/nfs/dbraw/zinc/46/07/72/781460772.db2.gz	QSZFYASRPGNJEN-UHFFFAOYSA-N	2	0	323.397	-1.224	20	0		DAADRP
COCCOC[C@H](O)C[NH2+]CCNC(=O)COCC[NH+](C)C	ZINC001147884540	781461051	/nfs/dbraw/zinc/46/10/51/781461051.db2.gz	FCLDCXCNTKCHAR-CYBMUJFWSA-N	2	0	321.418	-1.706	20	0		DAADRP
C[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1	ZINC001148605774	781476532	/nfs/dbraw/zinc/47/65/32/781476532.db2.gz	UTVMTODTMDCLQV-LBPRGKRZSA-N	2	0	312.414	-1.027	20	0		DAADRP
C[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1	ZINC001148605773	781476730	/nfs/dbraw/zinc/47/67/30/781476730.db2.gz	UTVMTODTMDCLQV-GFCCVEGCSA-N	2	0	312.414	-1.027	20	0		DAADRP
CCC[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC	ZINC001171762642	781587974	/nfs/dbraw/zinc/58/79/74/781587974.db2.gz	JBERYNWKLUBDAG-UHFFFAOYSA-N	2	0	301.391	-1.120	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001176063274	781613408	/nfs/dbraw/zinc/61/34/08/781613408.db2.gz	APDBBKSOTXNDJS-MNOVXSKESA-N	2	0	313.402	-1.122	20	0		DAADRP
CN(CC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1)S(C)(=O)=O	ZINC001176058096	781613466	/nfs/dbraw/zinc/61/34/66/781613466.db2.gz	UMKUIGVGTCBKGP-GFCCVEGCSA-N	2	0	320.459	-1.075	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1	ZINC001176056643	781613536	/nfs/dbraw/zinc/61/35/36/781613536.db2.gz	JAPAPNBTLWJGOJ-NSHDSACASA-N	2	0	306.432	-1.417	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)C1	ZINC001176055957	781613686	/nfs/dbraw/zinc/61/36/86/781613686.db2.gz	CIMVFEXKTJSNRR-LLVKDONJSA-N	2	0	311.386	-1.414	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@@H](C)C(N)=O	ZINC001176162798	781614135	/nfs/dbraw/zinc/61/41/35/781614135.db2.gz	ZYLVMBZMCYVENW-NEPJUHHUSA-N	2	0	300.403	-1.076	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@@H]1CCNC1=O	ZINC001176153112	781614154	/nfs/dbraw/zinc/61/41/54/781614154.db2.gz	PENMPQQKJICSQY-CHWSQXEVSA-N	2	0	312.414	-1.061	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)C1	ZINC001176072545	781614216	/nfs/dbraw/zinc/61/42/16/781614216.db2.gz	XVBNTGOGGVXQHM-ZDUSSCGKSA-N	2	0	312.414	-1.107	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@@H]1CCNC1=O	ZINC001176153114	781614234	/nfs/dbraw/zinc/61/42/34/781614234.db2.gz	PENMPQQKJICSQY-QWHCGFSZSA-N	2	0	312.414	-1.061	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)C(C)C	ZINC001176972295	781627943	/nfs/dbraw/zinc/62/79/43/781627943.db2.gz	VLFQWRXPIUVMAF-UHFFFAOYSA-N	2	0	301.391	-1.122	20	0		DAADRP
C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001180124690	781665954	/nfs/dbraw/zinc/66/59/54/781665954.db2.gz	MTQUGQNJGWMNBW-AXFHLTTASA-N	2	0	311.386	-1.288	20	0		DAADRP
CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001151049387	781689132	/nfs/dbraw/zinc/68/91/32/781689132.db2.gz	MUXWJTIFDPZFCK-LBPRGKRZSA-N	2	0	320.459	-1.027	20	0		DAADRP
CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001151044072	781689539	/nfs/dbraw/zinc/68/95/39/781689539.db2.gz	NEZYGOIHQZFOBO-WDEREUQCSA-N	2	0	313.402	-1.122	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1	ZINC001181652615	781690891	/nfs/dbraw/zinc/69/08/91/781690891.db2.gz	NNIDHNIPIXXSTJ-VXGBXAGGSA-N	2	0	318.443	-1.180	20	0		DAADRP
[NH3+]CCN(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(O)N=O	ZINC001182015683	781696272	/nfs/dbraw/zinc/69/62/72/781696272.db2.gz	FKIJWHDERROCDV-LLVKDONJSA-N	2	0	300.363	-1.007	20	0		DAADRP
CNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001182660709	781710751	/nfs/dbraw/zinc/71/07/51/781710751.db2.gz	FHINUCFACBVXEL-GFCCVEGCSA-N	2	0	322.413	-1.005	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1	ZINC001182623221	781710933	/nfs/dbraw/zinc/71/09/33/781710933.db2.gz	HGZSJCNTIVXZHK-VXGBXAGGSA-N	2	0	323.397	-1.286	20	0		DAADRP
C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C	ZINC001182676585	781711334	/nfs/dbraw/zinc/71/13/34/781711334.db2.gz	NHDJLTHCMHOWPQ-GMTAPVOTSA-N	2	0	311.386	-1.288	20	0		DAADRP
CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CN(C)S(C)(=O)=O	ZINC001182882550	781714999	/nfs/dbraw/zinc/71/49/99/781714999.db2.gz	LKOGETABZXQZRN-UHFFFAOYSA-N	2	0	307.420	-1.058	20	0		DAADRP
C[C@@H]1NC(=O)[C@H](CCC(=O)N(CCCC[NH3+])C(N)=[NH2+])NC1=O	ZINC001184093258	781742395	/nfs/dbraw/zinc/74/23/95/781742395.db2.gz	JJZCMNDJDXYDNS-IUCAKERBSA-N	2	0	312.374	-1.769	20	0		DAADRP
Cc1cncn1CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1	ZINC001184310951	781746375	/nfs/dbraw/zinc/74/63/75/781746375.db2.gz	VOQRJRRBWYKRCG-GHMZBOCLSA-N	2	0	322.369	-1.035	20	0		DAADRP
Cc1cncn1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001184302537	781746870	/nfs/dbraw/zinc/74/68/70/781746870.db2.gz	UFIRGVZWADUTMK-SNVBAGLBSA-N	2	0	308.342	-1.423	20	0		DAADRP
CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC001184433788	781747414	/nfs/dbraw/zinc/74/74/14/781747414.db2.gz	NHHCXZGUBUTACZ-LGESCRJUSA-N	2	0	322.409	-1.214	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1C(=O)NCCN(CC[NH3+])N(O)N=O	ZINC001185267541	781756966	/nfs/dbraw/zinc/75/69/66/781756966.db2.gz	ULHFUEWMYLSZKN-JTQLQIEISA-N	2	0	303.367	-2.103	20	0		DAADRP
C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1	ZINC001185416341	781760592	/nfs/dbraw/zinc/76/05/92/781760592.db2.gz	SGPHHMVRXMSZLZ-LLVKDONJSA-N	2	0	306.432	-1.322	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1	ZINC001185408217	781760750	/nfs/dbraw/zinc/76/07/50/781760750.db2.gz	OLTRJYZTQMZLBS-LLVKDONJSA-N	2	0	313.402	-1.026	20	0		DAADRP
C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1	ZINC001185408659	781761226	/nfs/dbraw/zinc/76/12/26/781761226.db2.gz	VGJBZBZEWPCVCD-CYBMUJFWSA-N	2	0	312.414	-1.013	20	0		DAADRP
C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001185651099	781761987	/nfs/dbraw/zinc/76/19/87/781761987.db2.gz	RTZOHWXWWWZRPZ-GHMZBOCLSA-N	2	0	311.386	-1.144	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1	ZINC001187121808	781795679	/nfs/dbraw/zinc/79/56/79/781795679.db2.gz	MBMVNKKJCHKPLM-NWDGAFQWSA-N	2	0	300.403	-1.110	20	0		DAADRP
C[C@@H]([NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O	ZINC001187127024	781795839	/nfs/dbraw/zinc/79/58/39/781795839.db2.gz	RWQQWUSJADPUNC-GHMZBOCLSA-N	2	0	323.397	-1.144	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1	ZINC001187121812	781796185	/nfs/dbraw/zinc/79/61/85/781796185.db2.gz	MBMVNKKJCHKPLM-VXGBXAGGSA-N	2	0	300.403	-1.110	20	0		DAADRP
CCN(CC[NH2+]CC(=O)NC(=O)NC)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001273546756	781806911	/nfs/dbraw/zinc/80/69/11/781806911.db2.gz	SRQXFOAILMLBOM-LLVKDONJSA-N	2	0	313.402	-1.026	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1	ZINC001187824964	781808242	/nfs/dbraw/zinc/80/82/42/781808242.db2.gz	DOKOSAWHRKLWMM-WDEREUQCSA-N	2	0	311.386	-1.416	20	0		DAADRP
CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C	ZINC001115126241	781906929	/nfs/dbraw/zinc/90/69/29/781906929.db2.gz	KZOHDHCTAKXJLI-JYAVWHMHSA-N	2	0	312.414	-1.301	20	0		DAADRP
COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1	ZINC001376860928	921739032	/nfs/dbraw/zinc/73/90/32/921739032.db2.gz	JKFVMDLPQUMGFQ-ZIAGYGMSSA-N	2	0	315.414	-1.094	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1	ZINC001376917750	921746865	/nfs/dbraw/zinc/74/68/65/921746865.db2.gz	DOKOSAWHRKLWMM-MNOVXSKESA-N	2	0	311.386	-1.416	20	0		DAADRP
CC[C@@H](C(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1)[NH+](C)C	ZINC001377357575	921809659	/nfs/dbraw/zinc/80/96/59/921809659.db2.gz	WCBYZFPDFWXXIH-NSHDSACASA-N	2	0	300.403	-1.245	20	0		DAADRP
C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H]1CCC(=O)NC1=O	ZINC001317281769	916280783	/nfs/dbraw/zinc/28/07/83/916280783.db2.gz	FMGWTHHDIZYDJZ-WDEREUQCSA-N	2	0	308.382	-1.018	20	0		DAADRP
CC[C@H](C(=O)NCC[N@H+](C)CCN1C(=O)CNC1=O)[NH+](C)C	ZINC001317466737	916303462	/nfs/dbraw/zinc/30/34/62/916303462.db2.gz	DNDJMJMHNWYTTJ-LLVKDONJSA-N	2	0	313.402	-1.074	20	0		DAADRP
CN(CC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)CC[NH+](C)C	ZINC001317623674	916341291	/nfs/dbraw/zinc/34/12/91/916341291.db2.gz	MLXMPOMTQASNQA-UHFFFAOYSA-N	2	0	313.402	-2.056	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O	ZINC001320271656	916490553	/nfs/dbraw/zinc/49/05/53/916490553.db2.gz	UATLTZLXSHFWGX-ZJUUUORDSA-N	2	0	300.359	-2.190	20	0		DAADRP
CCN(CC[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1CN(C)CCO1	ZINC001320703747	916525063	/nfs/dbraw/zinc/52/50/63/916525063.db2.gz	RUZOHYRKQMTBTC-ZDUSSCGKSA-N	2	0	312.414	-1.013	20	0		DAADRP
CC[C@H](C(=O)N(CC)CC[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001320902358	916533309	/nfs/dbraw/zinc/53/33/09/916533309.db2.gz	VBOGJHFJSWJSTG-SNVBAGLBSA-N	2	0	301.391	-1.040	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O)C1	ZINC001321249146	916559030	/nfs/dbraw/zinc/55/90/30/916559030.db2.gz	IZCCMVPMTZSFAP-OTDNITJGSA-N	2	0	311.386	-1.215	20	0		DAADRP
C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N(CC[NH3+])CCO	ZINC001325347344	916843590	/nfs/dbraw/zinc/84/35/90/916843590.db2.gz	ZNGLANMIUBLGIA-VXGBXAGGSA-N	2	0	300.403	-1.245	20	0		DAADRP
C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N(CC[NH3+])CCO	ZINC001325347341	916844463	/nfs/dbraw/zinc/84/44/63/916844463.db2.gz	ZNGLANMIUBLGIA-NEPJUHHUSA-N	2	0	300.403	-1.245	20	0		DAADRP
O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC001326844128	916960203	/nfs/dbraw/zinc/96/02/03/916960203.db2.gz	FLPMLWOSJWHGRI-FRRDWIJNSA-N	2	0	310.398	-1.478	20	0		DAADRP
OC[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@H](O)[C@H](CO)C2)C[C@@H]1O	ZINC001327067536	916988927	/nfs/dbraw/zinc/98/89/27/916988927.db2.gz	PUKXVDNIKDXBQD-AJNGGQMLSA-N	2	0	302.415	-1.273	20	0		DAADRP
O=C(N[C@H]1CC[NH2+]C1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC001327486010	917017140	/nfs/dbraw/zinc/01/71/40/917017140.db2.gz	KULOCVKERQZXTP-QWHCGFSZSA-N	2	0	310.398	-1.166	20	0		DAADRP
C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+](CCOC)CC1	ZINC001327500101	917020290	/nfs/dbraw/zinc/02/02/90/917020290.db2.gz	LPLPDDFBWCQGCI-NSHDSACASA-N	2	0	300.403	-1.063	20	0		DAADRP
C[NH+]1CCN(C[C@H](O)C[NH2+]CCC(=O)N2CCOCC2)CC1	ZINC001327974811	917053652	/nfs/dbraw/zinc/05/36/52/917053652.db2.gz	DNKSTIGLLPMDFH-CQSZACIVSA-N	2	0	314.430	-1.567	20	0		DAADRP
C[NH+]1CCN(C[C@@H](O)C[NH2+]CCNC(=O)c2ccn[nH]2)CC1	ZINC001327991819	917056873	/nfs/dbraw/zinc/05/68/73/917056873.db2.gz	KSXJHAUAWBQPOI-LBPRGKRZSA-N	2	0	310.402	-1.663	20	0		DAADRP
C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1	ZINC001328352846	917079295	/nfs/dbraw/zinc/07/92/95/917079295.db2.gz	GVWHCJQXJPJTPC-SECBINFHSA-N	2	0	324.385	-1.287	20	0		DAADRP
O=C(N[C@@H]1CC[NH2+]C1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC001328970352	917125595	/nfs/dbraw/zinc/12/55/95/917125595.db2.gz	BFHSFMNYLRKQTE-RDBSUJKOSA-N	2	0	324.425	-1.042	20	0		DAADRP
O=C(N[C@@H]1CC[NH2+]C1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC001328970349	917125774	/nfs/dbraw/zinc/12/57/74/917125774.db2.gz	BFHSFMNYLRKQTE-HZSPNIEDSA-N	2	0	324.425	-1.042	20	0		DAADRP
O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC001329114847	917142956	/nfs/dbraw/zinc/14/29/56/917142956.db2.gz	JVMMZIYUYQPWOB-GRYCIOLGSA-N	2	0	312.370	-2.632	20	0		DAADRP
C[C@@H](CN1CCOCC1)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1	ZINC001329135384	917144895	/nfs/dbraw/zinc/14/48/95/917144895.db2.gz	RKDAPSURBKHXMU-LSDHHAIUSA-N	2	0	300.447	-1.095	20	0		DAADRP
C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1	ZINC001329163365	917147667	/nfs/dbraw/zinc/14/76/67/917147667.db2.gz	SAAUQKQIJGYQCU-ZDUSSCGKSA-N	2	0	313.446	-1.112	20	0		DAADRP
C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1	ZINC001329479730	917173503	/nfs/dbraw/zinc/17/35/03/917173503.db2.gz	CDLGXDAFCYEEGK-GFCCVEGCSA-N	2	0	312.414	-1.230	20	0		DAADRP
[NH3+][C@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1	ZINC001329856273	917206283	/nfs/dbraw/zinc/20/62/83/917206283.db2.gz	OCBIDLDKFUZHJR-WCQYABFASA-N	2	0	310.398	-1.085	20	0		DAADRP
O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC001329951258	917214205	/nfs/dbraw/zinc/21/42/05/917214205.db2.gz	QVYSLGUBGYPMIH-QJPTWQEYSA-N	2	0	312.370	-2.632	20	0		DAADRP
O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC001329951260	917214322	/nfs/dbraw/zinc/21/43/22/917214322.db2.gz	QVYSLGUBGYPMIH-TUAOUCFPSA-N	2	0	312.370	-2.632	20	0		DAADRP
O=C(N[C@@H]1CC[NH2+]C1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC001330039901	917223342	/nfs/dbraw/zinc/22/33/42/917223342.db2.gz	KULOCVKERQZXTP-CHWSQXEVSA-N	2	0	310.398	-1.166	20	0		DAADRP
C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1	ZINC001330527309	917253091	/nfs/dbraw/zinc/25/30/91/917253091.db2.gz	YHCFMKRYIWBKAG-CYBMUJFWSA-N	2	0	313.446	-1.146	20	0		DAADRP
[NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1	ZINC001331168204	917282462	/nfs/dbraw/zinc/28/24/62/917282462.db2.gz	QIGJNHHILZPIJQ-XQHKEYJVSA-N	2	0	310.398	-1.181	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1	ZINC001331573124	917299426	/nfs/dbraw/zinc/29/94/26/917299426.db2.gz	NVUBGUZLKGGYFI-VXGBXAGGSA-N	2	0	300.403	-1.063	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1	ZINC001331668104	917312876	/nfs/dbraw/zinc/31/28/76/917312876.db2.gz	LWRBXZJIVFEULX-TXEJJXNPSA-N	2	0	300.403	-1.124	20	0		DAADRP
O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC001331742428	917327437	/nfs/dbraw/zinc/32/74/37/917327437.db2.gz	BGAWOXFREGIWEA-UPJWGTAASA-N	2	0	310.398	-1.166	20	0		DAADRP
CCN(CC[NH3+])C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1	ZINC001331853128	917345816	/nfs/dbraw/zinc/34/58/16/917345816.db2.gz	PROREQDKVUVFEY-UHFFFAOYSA-N	2	0	313.446	-1.111	20	0		DAADRP
CCNS(=O)(=O)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1	ZINC001331958454	917351335	/nfs/dbraw/zinc/35/13/35/917351335.db2.gz	KYHCMXKPGBXNJV-LBPRGKRZSA-N	2	0	308.448	-1.876	20	0		DAADRP
CNS(=O)(=O)CCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1	ZINC001332288081	917361267	/nfs/dbraw/zinc/36/12/67/917361267.db2.gz	NKOHSIZJJXBDKF-GFCCVEGCSA-N	2	0	308.448	-1.876	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21	ZINC001332250692	917361617	/nfs/dbraw/zinc/36/16/17/917361617.db2.gz	NOVNHFWFUNQRGD-HZSPNIEDSA-N	2	0	323.441	-1.299	20	0		DAADRP
C[C@@]1(C2CC[NH+](CC(=O)N3CC[NH2+]CC3)CC2)NC(=O)NC1=O	ZINC001332414720	917369881	/nfs/dbraw/zinc/36/98/81/917369881.db2.gz	DADICSXMFHJLPS-HNNXBMFYSA-N	2	0	323.397	-1.272	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001332603162	917390074	/nfs/dbraw/zinc/39/00/74/917390074.db2.gz	VFUWMBHNOCWXCM-NWDGAFQWSA-N	2	0	321.443	-1.608	20	0		DAADRP
CCN(C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@@H]1CC[NH2+]C1	ZINC001333376964	917438148	/nfs/dbraw/zinc/43/81/48/917438148.db2.gz	FFIOKPLCALTTGC-CHWSQXEVSA-N	2	0	311.430	-1.441	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2	ZINC001333532673	917447041	/nfs/dbraw/zinc/44/70/41/917447041.db2.gz	SMTJSWBPGUBKSC-AVERBVTBSA-N	2	0	309.414	-1.783	20	0		DAADRP
C[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])C[NH+]1CCN(C)CC1	ZINC001333541885	917447222	/nfs/dbraw/zinc/44/72/22/917447222.db2.gz	DXCGFYJGQSMRCG-CYBMUJFWSA-N	2	0	313.446	-1.207	20	0		DAADRP
[NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CC[N@@H+]3C[C@H](O)C[C@H]3C1)C2	ZINC001334763047	917506671	/nfs/dbraw/zinc/50/66/71/917506671.db2.gz	IXHGDCQJONPVLA-HTVCTNPSSA-N	2	0	322.409	-1.398	20	0		DAADRP
C[NH+]1CCN(C[C@H](O)C[NH2+]CCN2CCCS2(=O)=O)CC1	ZINC001335951475	917564802	/nfs/dbraw/zinc/56/48/02/917564802.db2.gz	ORBAWMMKGKZSBQ-CYBMUJFWSA-N	2	0	320.459	-1.780	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC001337377937	917619171	/nfs/dbraw/zinc/61/91/71/917619171.db2.gz	SHYYPXARHCQOHX-XQQFMLRXSA-N	2	0	309.414	-1.689	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C[NH+](C)C	ZINC001338321432	917677551	/nfs/dbraw/zinc/67/75/51/917677551.db2.gz	HOHKOSGAOWIHGO-GRYCIOLGSA-N	2	0	300.403	-1.077	20	0		DAADRP
COCC[N@H+](C)CCCNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1	ZINC001340044659	917728110	/nfs/dbraw/zinc/72/81/10/917728110.db2.gz	MWIHGVFUNOFWTB-LBPRGKRZSA-N	2	0	312.414	-1.109	20	0		DAADRP
COC(=O)C1CC[NH+](CCCNC(=O)CNCC[NH3+])CC1	ZINC001340335319	917734856	/nfs/dbraw/zinc/73/48/56/917734856.db2.gz	JPYZTZRNZIRLRR-UHFFFAOYSA-N	2	0	300.403	-1.074	20	0		DAADRP
COCCOCCN1CCN(C(=O)[C@@H]2C[NH2+]CCN2C)CC1	ZINC001341321163	917754694	/nfs/dbraw/zinc/75/46/94/917754694.db2.gz	STEQZVZRYWFVFE-AWEZNQCLSA-N	2	0	314.430	-1.303	20	0		DAADRP
O=C([C@@H]1CCC[NH2+]1)N1CCNCCN(C(=O)[C@@H]2CCC[NH2+]2)CC1	ZINC001342564045	917784565	/nfs/dbraw/zinc/78/45/65/917784565.db2.gz	DOFSDKAMDXGJQY-KBPBESRZSA-N	2	0	323.441	-1.249	20	0		DAADRP
O=C(NCC[NH2+]CCNC(=O)C12CC(C1)C[NH2+]2)C12CC(C1)C[NH2+]2	ZINC001343171222	917797085	/nfs/dbraw/zinc/79/70/85/917797085.db2.gz	JTZMJWNKDIGLKD-UHFFFAOYSA-N	3	0	321.425	-1.688	20	0		DAADRP
O=C(NCC[NH2+]CCNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21	ZINC001343172454	917798308	/nfs/dbraw/zinc/79/83/08/917798308.db2.gz	URJAICXQEWIUES-SNIKSBKOSA-N	3	0	321.425	-1.976	20	0		DAADRP
CN(C)S(=O)(=O)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1	ZINC001345619699	917849886	/nfs/dbraw/zinc/84/98/86/917849886.db2.gz	UORKBOBBUDGNDO-LBPRGKRZSA-N	2	0	308.448	-1.924	20	0		DAADRP
C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+](C)CCOCCO	ZINC001348131932	917928967	/nfs/dbraw/zinc/92/89/67/917928967.db2.gz	MHLCWNSYOYMKIG-KGLIPLIRSA-N	2	0	314.430	-1.568	20	0		DAADRP
C[NH+]1CCN(C[C@@H](O)C[NH2+]CCS(=O)(=O)C2CC2)CC1	ZINC001348971873	917984508	/nfs/dbraw/zinc/98/45/08/917984508.db2.gz	GUJGGGJANRGQEG-LBPRGKRZSA-N	2	0	305.444	-1.239	20	0		DAADRP
CC(C)NS(=O)(=O)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1	ZINC001348958556	917984934	/nfs/dbraw/zinc/98/49/34/917984934.db2.gz	VGGJRVUUEBDEIL-ZDUSSCGKSA-N	2	0	322.475	-1.488	20	0		DAADRP
C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1	ZINC001348957467	917985062	/nfs/dbraw/zinc/98/50/62/917985062.db2.gz	GYKKRXVVQDHGCD-HZPDHXFCSA-N	3	0	313.490	-1.180	20	0		DAADRP
[NH3+]C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CC[NH2+]CC1)C2=O	ZINC001349110784	917995994	/nfs/dbraw/zinc/99/59/94/917995994.db2.gz	GAJBYMXISWYUCE-ABAIWWIYSA-N	2	0	323.397	-1.142	20	0		DAADRP
O[C@@H]1C[C@H]2CN(CCN3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC[NH+]2C1	ZINC001349772077	918035231	/nfs/dbraw/zinc/03/52/31/918035231.db2.gz	YMPCOFFHYCYQNG-CAOSSQGBSA-N	2	0	310.442	-1.512	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C2CC2)C1	ZINC001366075205	919277084	/nfs/dbraw/zinc/27/70/84/919277084.db2.gz	FWLXLCVMFIBBSP-WDEREUQCSA-N	2	0	311.386	-1.383	20	0		DAADRP
CNC(=O)C[NH2+][C@H](C)CNC(=O)COC1CC[NH+](C)CC1	ZINC001366344663	919313351	/nfs/dbraw/zinc/31/33/51/919313351.db2.gz	MCCAQKHWLKKPMS-LLVKDONJSA-N	2	0	300.403	-1.063	20	0		DAADRP
C[NH+](C)CCCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1	ZINC001366408361	919326760	/nfs/dbraw/zinc/32/67/60/919326760.db2.gz	XPTANFQUSLXFFO-NSHDSACASA-N	2	0	313.402	-1.039	20	0		DAADRP
CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C	ZINC001366409231	919327416	/nfs/dbraw/zinc/32/74/16/919327416.db2.gz	XVKFDOWYUHRBSU-WDEREUQCSA-N	2	0	313.402	-1.040	20	0		DAADRP
CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1)[NH+](C)C	ZINC001366697307	919368184	/nfs/dbraw/zinc/36/81/84/919368184.db2.gz	BBDRTYXTCRCHNO-WDEREUQCSA-N	2	0	313.402	-1.040	20	0		DAADRP
CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(=O)NC	ZINC001367140969	919438104	/nfs/dbraw/zinc/43/81/04/919438104.db2.gz	OAXMSAUCYTXNAQ-WDEREUQCSA-N	2	0	313.402	-1.122	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001367371678	919460900	/nfs/dbraw/zinc/46/09/00/919460900.db2.gz	CXSVAGVYCIUSKM-GHMZBOCLSA-N	2	0	313.402	-1.027	20	0		DAADRP
CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O	ZINC001367392783	919461813	/nfs/dbraw/zinc/46/18/13/919461813.db2.gz	DMBPVHSGFLCWNI-JTQLQIEISA-N	2	0	301.391	-1.040	20	0		DAADRP
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CC1	ZINC001367594839	919510610	/nfs/dbraw/zinc/51/06/10/919510610.db2.gz	SMKUZAQNIQYHKJ-QWHCGFSZSA-N	2	0	312.414	-1.184	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C	ZINC001367599881	919512344	/nfs/dbraw/zinc/51/23/44/919512344.db2.gz	HOQRFULNUIYNHB-NSHDSACASA-N	2	0	302.419	-1.081	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C	ZINC001367599873	919512776	/nfs/dbraw/zinc/51/27/76/919512776.db2.gz	HOQRFULNUIYNHB-LLVKDONJSA-N	2	0	302.419	-1.081	20	0		DAADRP
CCCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001367614348	919527194	/nfs/dbraw/zinc/52/71/94/919527194.db2.gz	AEGJSUHVDRRYNG-LBPRGKRZSA-N	2	0	312.414	-1.325	20	0		DAADRP
CCCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001367614344	919529725	/nfs/dbraw/zinc/52/97/25/919529725.db2.gz	AEGJSUHVDRRYNG-GFCCVEGCSA-N	2	0	312.414	-1.325	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)C1	ZINC001367619523	919536309	/nfs/dbraw/zinc/53/63/09/919536309.db2.gz	OJFVHVMMCNVSSA-QWHCGFSZSA-N	2	0	312.414	-1.373	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)C1	ZINC001367619521	919536915	/nfs/dbraw/zinc/53/69/15/919536915.db2.gz	OJFVHVMMCNVSSA-OLZOCXBDSA-N	2	0	312.414	-1.373	20	0		DAADRP
CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1)[NH+](C)C	ZINC001367626052	919538885	/nfs/dbraw/zinc/53/88/85/919538885.db2.gz	UALSGDIZRCUTNX-RYUDHWBXSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O	ZINC001367626948	919541046	/nfs/dbraw/zinc/54/10/46/919541046.db2.gz	XRBCFEHEACKUFF-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1	ZINC001367922952	919586179	/nfs/dbraw/zinc/58/61/79/919586179.db2.gz	KGDXSUYUFCSXFC-DGCLKSJQSA-N	2	0	312.414	-1.076	20	0		DAADRP
C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(=O)NC(N)=O	ZINC001367994266	919598464	/nfs/dbraw/zinc/59/84/64/919598464.db2.gz	YXHJKYZZBCUZJJ-ZJUUUORDSA-N	2	0	311.386	-1.098	20	0		DAADRP
C[C@H]([NH2+]CCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O	ZINC001368410914	919719199	/nfs/dbraw/zinc/71/91/99/919719199.db2.gz	ONKUTQIMKAXUKT-NWDGAFQWSA-N	2	0	300.403	-1.388	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)C12CC[NH+](CC1)C2	ZINC001368415156	919720110	/nfs/dbraw/zinc/72/01/10/919720110.db2.gz	UEBGGBUJRFYJJY-LBPRGKRZSA-N	2	0	312.414	-1.373	20	0		DAADRP
COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1	ZINC001368510351	919736629	/nfs/dbraw/zinc/73/66/29/919736629.db2.gz	ULNIEPTWEVWYHN-BFHYXJOUSA-N	2	0	315.414	-1.095	20	0		DAADRP
COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1	ZINC001368510360	919736899	/nfs/dbraw/zinc/73/68/99/919736899.db2.gz	ULNIEPTWEVWYHN-MELADBBJSA-N	2	0	315.414	-1.095	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1	ZINC001368631919	919750706	/nfs/dbraw/zinc/75/07/06/919750706.db2.gz	SZVMTEXQYZCURY-CQSZACIVSA-N	2	0	300.403	-1.245	20	0		DAADRP
C[C@H]([NH2+]CC1(O)CCN(C(=O)C[NH+]2CCCC2)CC1)C(N)=O	ZINC001368689480	919761620	/nfs/dbraw/zinc/76/16/20/919761620.db2.gz	RAOSBFYIPFDIMS-LBPRGKRZSA-N	2	0	312.414	-1.101	20	0		DAADRP
C[C@@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1	ZINC001369147652	919823624	/nfs/dbraw/zinc/82/36/24/919823624.db2.gz	BUFNOUQZZQNSKJ-VXGBXAGGSA-N	2	0	310.398	-1.227	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C	ZINC001369273494	919834552	/nfs/dbraw/zinc/83/45/52/919834552.db2.gz	DLVLATZYHJLZDR-SNVBAGLBSA-N	2	0	301.391	-1.170	20	0		DAADRP
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1cncn1	ZINC001369342413	919878838	/nfs/dbraw/zinc/87/88/38/919878838.db2.gz	TXLPOSGFJRRSME-QWHCGFSZSA-N	2	0	310.402	-1.171	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1	ZINC001369346690	919886522	/nfs/dbraw/zinc/88/65/22/919886522.db2.gz	JPINFNFSVYIOOL-STQMWFEESA-N	2	0	314.430	-1.079	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C	ZINC001369351080	919892027	/nfs/dbraw/zinc/89/20/27/919892027.db2.gz	SNLSCSIAIGXQFL-ZJUUUORDSA-N	2	0	317.390	-2.151	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1	ZINC001369370903	919907164	/nfs/dbraw/zinc/90/71/64/919907164.db2.gz	FYNAYIMRDVZXIW-GFCCVEGCSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O)C1	ZINC001369381493	919912914	/nfs/dbraw/zinc/91/29/14/919912914.db2.gz	NTNJONSFTFZIGA-NEPJUHHUSA-N	2	0	321.443	-1.561	20	0		DAADRP
CC(C)N(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001369378123	919913507	/nfs/dbraw/zinc/91/35/07/919913507.db2.gz	BALOWUWXSIGMDH-QWHCGFSZSA-N	2	0	314.430	-1.128	20	0		DAADRP
CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C)[NH+](C)C	ZINC001369476911	919952284	/nfs/dbraw/zinc/95/22/84/919952284.db2.gz	TYYVDIDWFGMXQL-NEPJUHHUSA-N	2	0	302.419	-1.176	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)C(C)(C)[NH+]1CCCC1	ZINC001369480263	919954822	/nfs/dbraw/zinc/95/48/22/919954822.db2.gz	WJLZGNZUOAKRGE-LLVKDONJSA-N	2	0	300.403	-1.245	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001369484346	919956170	/nfs/dbraw/zinc/95/61/70/919956170.db2.gz	SWKNHDIQLUTAJY-RYUDHWBXSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC[N@H+](C)CCC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCNC1=O	ZINC001369481305	919957098	/nfs/dbraw/zinc/95/70/98/919957098.db2.gz	QBZGNUCFFKMVPO-RYUDHWBXSA-N	2	0	300.403	-1.374	20	0		DAADRP
COC[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001369483504	919959204	/nfs/dbraw/zinc/95/92/04/919959204.db2.gz	KBILIVKRZFAQAA-ZIAGYGMSSA-N	2	0	317.430	-1.256	20	0		DAADRP
C[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC1	ZINC001370392820	920054654	/nfs/dbraw/zinc/05/46/54/920054654.db2.gz	DYBIYRYDVWSDCY-NSHDSACASA-N	2	0	311.386	-1.286	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1	ZINC001370399029	920055057	/nfs/dbraw/zinc/05/50/57/920055057.db2.gz	YSRCQTCBJQAWLY-MNOVXSKESA-N	2	0	313.402	-1.027	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001370702443	920130744	/nfs/dbraw/zinc/13/07/44/920130744.db2.gz	INFBVFYJLKNYCN-MXWKQRLJSA-N	2	0	311.386	-1.240	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)C12CC[NH+](CC1)C2	ZINC001370753054	920158103	/nfs/dbraw/zinc/15/81/03/920158103.db2.gz	CIBSNPOLMSXBQT-QWHCGFSZSA-N	2	0	324.425	-1.230	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2	ZINC001370751400	920158347	/nfs/dbraw/zinc/15/83/47/920158347.db2.gz	IDSMDFSYFWIVJY-CHWSQXEVSA-N	2	0	324.425	-1.230	20	0		DAADRP
C[NH+](C)CCCC(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1	ZINC001371541698	920284001	/nfs/dbraw/zinc/28/40/01/920284001.db2.gz	SBDFHLOIJPWJAP-OLZOCXBDSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[C@@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(=O)NC(N)=O	ZINC001371545046	920284118	/nfs/dbraw/zinc/28/41/18/920284118.db2.gz	VHRTXUAECGXEFG-MNOVXSKESA-N	2	0	311.386	-1.144	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1	ZINC001371622516	920291112	/nfs/dbraw/zinc/29/11/12/920291112.db2.gz	UQXXRAMZOCYCOZ-OLZOCXBDSA-N	2	0	312.414	-1.122	20	0		DAADRP
C[C@@H]([NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NC(N)=O	ZINC001372942577	920439884	/nfs/dbraw/zinc/43/98/84/920439884.db2.gz	FXIHHHZLXAZILA-GHMZBOCLSA-N	2	0	313.402	-1.040	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001374588718	920628492	/nfs/dbraw/zinc/62/84/92/920628492.db2.gz	FYAVKMCNZRZOOI-UWVGGRQHSA-N	2	0	315.374	-2.397	20	0		DAADRP
CC(C)[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001374613827	920648817	/nfs/dbraw/zinc/64/88/17/920648817.db2.gz	DDQNUPREDJWTGY-KOLCDFICSA-N	2	0	317.390	-2.166	20	0		DAADRP
CCn1nncc1C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1	ZINC001374684622	920694063	/nfs/dbraw/zinc/69/40/63/920694063.db2.gz	MYTLUHQSMOHRIV-ZDUSSCGKSA-N	2	0	310.402	-1.040	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1	ZINC001374819180	920715002	/nfs/dbraw/zinc/71/50/02/920715002.db2.gz	KAYHIQKSFVFPED-LLVKDONJSA-N	2	0	310.402	-1.101	20	0		DAADRP
C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C12CCC[NH+]1CCC2	ZINC001374906801	920725669	/nfs/dbraw/zinc/72/56/69/920725669.db2.gz	UDAYSRGHCXETRC-JTQLQIEISA-N	2	0	311.386	-1.096	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1	ZINC001375269274	920759392	/nfs/dbraw/zinc/75/93/92/920759392.db2.gz	GJOPEEKALQXHRS-NSHDSACASA-N	2	0	311.386	-1.239	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CC(=O)NC(N)=O)CC2)C1	ZINC001375490525	920779965	/nfs/dbraw/zinc/77/99/65/920779965.db2.gz	KWHFUFGQNOXWIB-JTQLQIEISA-N	2	0	311.386	-1.239	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(N)=O	ZINC001375751130	920804944	/nfs/dbraw/zinc/80/49/44/920804944.db2.gz	RWCMFHLRAWAOGE-GHMZBOCLSA-N	2	0	311.386	-1.144	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C	ZINC001375765823	920805456	/nfs/dbraw/zinc/80/54/56/920805456.db2.gz	SDNHLBVWBHHNFA-NSHDSACASA-N	2	0	313.402	-1.026	20	0		DAADRP
CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1	ZINC001376417758	920931427	/nfs/dbraw/zinc/93/14/27/920931427.db2.gz	OZXKWOAATFRTHR-JHJVBQTASA-N	2	0	312.414	-1.063	20	0		DAADRP
CCN1CCO[C@H](C(=O)N[C@]2(CO)CCC[N@H+](CCO)C2)C1	ZINC001376505638	920959775	/nfs/dbraw/zinc/95/97/75/920959775.db2.gz	WZTNVDQVTOVQTA-DZGCQCFKSA-N	2	0	315.414	-1.358	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)C[NH+]2CCCC2)C1	ZINC001376629041	920997037	/nfs/dbraw/zinc/99/70/37/920997037.db2.gz	OEXYWALTOWOHGX-STQMWFEESA-N	2	0	312.414	-1.373	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCC1	ZINC001376768855	921026597	/nfs/dbraw/zinc/02/65/97/921026597.db2.gz	CEMIDCSTHYTHBJ-SNVBAGLBSA-N	2	0	311.386	-1.096	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C	ZINC001376809037	921034837	/nfs/dbraw/zinc/03/48/37/921034837.db2.gz	KRPTVRYWMQJDNV-VHSXEESVSA-N	2	0	301.391	-1.124	20	0		DAADRP
CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1	ZINC001377451278	921820981	/nfs/dbraw/zinc/82/09/81/921820981.db2.gz	IGTHRMPQPFOXMW-NSHDSACASA-N	2	0	313.402	-1.168	20	0		DAADRP
CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1	ZINC001377451275	921822177	/nfs/dbraw/zinc/82/21/77/921822177.db2.gz	IGTHRMPQPFOXMW-LLVKDONJSA-N	2	0	313.402	-1.168	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(N)=O	ZINC001377603968	921845619	/nfs/dbraw/zinc/84/56/19/921845619.db2.gz	SVSMXWMKRUNNJU-SNVBAGLBSA-N	2	0	301.391	-1.042	20	0		DAADRP
CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C2([NH+](C)C)CCC2)C1=O	ZINC001379208433	922076063	/nfs/dbraw/zinc/07/60/63/922076063.db2.gz	SPIVCEKUZCNCER-NWDGAFQWSA-N	2	0	312.414	-1.232	20	0		DAADRP
CN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)C2([NH+](C)C)CCC2)C1=O	ZINC001379208437	922076468	/nfs/dbraw/zinc/07/64/68/922076468.db2.gz	SPIVCEKUZCNCER-RYUDHWBXSA-N	2	0	312.414	-1.232	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2cnnn2C)C1	ZINC001379244995	922091881	/nfs/dbraw/zinc/09/18/81/922091881.db2.gz	QJGHKQMLYZXTRH-AAEUAGOBSA-N	2	0	310.402	-1.276	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2cnnn2C)C1	ZINC001379245038	922095158	/nfs/dbraw/zinc/09/51/58/922095158.db2.gz	QJGHKQMLYZXTRH-YPMHNXCESA-N	2	0	310.402	-1.276	20	0		DAADRP
C[NH+](C)Cc1ccc(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)cc1	ZINC001379254997	922100393	/nfs/dbraw/zinc/10/03/93/922100393.db2.gz	BODFYFVGLVGIRN-CYBMUJFWSA-N	2	0	308.382	-1.086	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1	ZINC001379295966	922118854	/nfs/dbraw/zinc/11/88/54/922118854.db2.gz	SMQWWLPUHYXINT-TZMCWYRMSA-N	2	0	314.430	-1.081	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C(C)C	ZINC001379299969	922120298	/nfs/dbraw/zinc/12/02/98/922120298.db2.gz	YRMXTYNPMYRGJE-JTQLQIEISA-N	2	0	317.390	-2.151	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C	ZINC001379395444	922150243	/nfs/dbraw/zinc/15/02/43/922150243.db2.gz	IUPSXTRLURHIIC-OPRDCNLKSA-N	2	0	315.374	-2.412	20	0		DAADRP
CN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C2CCC2)C1=O	ZINC001379410959	922162022	/nfs/dbraw/zinc/16/20/22/922162022.db2.gz	MDOHYFKYXAQDNJ-DGCLKSJQSA-N	2	0	312.414	-1.232	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001379452818	922180308	/nfs/dbraw/zinc/18/03/08/922180308.db2.gz	WDUWJYSAIIHPRZ-GHMZBOCLSA-N	2	0	313.402	-1.122	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001379452819	922180732	/nfs/dbraw/zinc/18/07/32/922180732.db2.gz	WDUWJYSAIIHPRZ-MNOVXSKESA-N	2	0	313.402	-1.122	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]CCn2cncn2)C1	ZINC001379473865	922193305	/nfs/dbraw/zinc/19/33/05/922193305.db2.gz	COYHCVCNWJUPRL-QWHCGFSZSA-N	2	0	310.402	-1.313	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@H]1CCN(C)C1=O	ZINC001379504037	922208057	/nfs/dbraw/zinc/20/80/57/922208057.db2.gz	RVONOXKMXYMFAS-NEPJUHHUSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001379526711	922217449	/nfs/dbraw/zinc/21/74/49/922217449.db2.gz	KNWKIPWQZZJSCW-NWDGAFQWSA-N	2	0	300.403	-1.471	20	0		DAADRP
CC(C)CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001379527537	922219094	/nfs/dbraw/zinc/21/90/94/922219094.db2.gz	NPFUBRYUXHYKBF-OLZOCXBDSA-N	2	0	314.430	-1.223	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1	ZINC001379791074	922262727	/nfs/dbraw/zinc/26/27/27/922262727.db2.gz	QJICYVIEKUQFMD-NSHDSACASA-N	2	0	300.403	-1.374	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)C12CCC[NH+](CCC1)C2	ZINC001379803107	922266978	/nfs/dbraw/zinc/26/69/78/922266978.db2.gz	NMPAADCGYLGCKF-GFCCVEGCSA-N	2	0	312.414	-1.243	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001379836477	922276051	/nfs/dbraw/zinc/27/60/51/922276051.db2.gz	SPKDTCDZCRAOBK-VXGBXAGGSA-N	2	0	300.403	-1.517	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001379836473	922277573	/nfs/dbraw/zinc/27/75/73/922277573.db2.gz	SPKDTCDZCRAOBK-NWDGAFQWSA-N	2	0	300.403	-1.517	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C2CC2)C1	ZINC001379943426	922299994	/nfs/dbraw/zinc/29/99/94/922299994.db2.gz	YDUGYFJYHLLWGW-WDEREUQCSA-N	2	0	311.386	-1.383	20	0		DAADRP
COC[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C	ZINC001379969262	922304882	/nfs/dbraw/zinc/30/48/82/922304882.db2.gz	PLTIRWKKDKCALU-HZSPNIEDSA-N	2	0	317.430	-1.161	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH+](C)[C@@H]1CCNC1=O	ZINC001379970092	922310094	/nfs/dbraw/zinc/31/00/94/922310094.db2.gz	KTFFJNCDIMLJEP-CHWSQXEVSA-N	2	0	314.430	-1.034	20	0		DAADRP
C[C@@H]([NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1)C(=O)NC(N)=O	ZINC001380169133	922336666	/nfs/dbraw/zinc/33/66/66/922336666.db2.gz	KZASFZARNBJRBQ-SNVBAGLBSA-N	2	0	311.386	-1.096	20	0		DAADRP
C[NH+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC(N)=O)C1	ZINC001380417696	922359777	/nfs/dbraw/zinc/35/97/77/922359777.db2.gz	UEWDLXOPCXHPOV-AWEZNQCLSA-N	2	0	313.402	-1.039	20	0		DAADRP
COC[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1	ZINC001380572395	922395894	/nfs/dbraw/zinc/39/58/94/922395894.db2.gz	MCRICZFEXNESDE-ZFWWWQNUSA-N	2	0	315.414	-1.358	20	0		DAADRP
C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC(N)=O	ZINC001380684439	922436391	/nfs/dbraw/zinc/43/63/91/922436391.db2.gz	CQGKCFLNPHXOMG-WDEREUQCSA-N	2	0	313.402	-1.183	20	0		DAADRP
C[N@@H+]1CCCC[C@@H]1C(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O	ZINC001380767866	922454116	/nfs/dbraw/zinc/45/41/16/922454116.db2.gz	RCRXRHRVSNMZGF-CHWSQXEVSA-N	2	0	312.414	-1.230	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O	ZINC001380767873	922455318	/nfs/dbraw/zinc/45/53/18/922455318.db2.gz	RCRXRHRVSNMZGF-STQMWFEESA-N	2	0	312.414	-1.230	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+][C@H]2CCCNC2=O)C1	ZINC001380774432	922458925	/nfs/dbraw/zinc/45/89/25/922458925.db2.gz	PKQOCYARZOYMTH-OLZOCXBDSA-N	2	0	312.414	-1.373	20	0		DAADRP
CC(C)[C@@H](C(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1)[NH+](C)C	ZINC001380913080	922474843	/nfs/dbraw/zinc/47/48/43/922474843.db2.gz	NYYVRHYBDPQSOF-YPMHNXCESA-N	2	0	300.403	-1.125	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1	ZINC001380917035	922476583	/nfs/dbraw/zinc/47/65/83/922476583.db2.gz	XPMXNVCOOMVGAP-KBPBESRZSA-N	2	0	324.425	-1.109	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1	ZINC001381170384	922507954	/nfs/dbraw/zinc/50/79/54/922507954.db2.gz	SCOHPYUDNIVDBN-UHFFFAOYSA-N	2	0	300.403	-1.245	20	0		DAADRP
CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001382124478	922585855	/nfs/dbraw/zinc/58/58/55/922585855.db2.gz	BEFGFPHBMZGRDC-ZJUUUORDSA-N	2	0	301.391	-1.042	20	0		DAADRP
CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001382124474	922588093	/nfs/dbraw/zinc/58/80/93/922588093.db2.gz	BEFGFPHBMZGRDC-UWVGGRQHSA-N	2	0	301.391	-1.042	20	0		DAADRP
CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC)CC[N@@H+]1C	ZINC001382209958	922619708	/nfs/dbraw/zinc/61/97/08/922619708.db2.gz	MUZQIECEOPPCOP-GRYCIOLGSA-N	2	0	300.403	-1.471	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C1CCC1	ZINC001382216237	922624403	/nfs/dbraw/zinc/62/44/03/922624403.db2.gz	RMTSXGSRSUKQJA-QWRGUYRKSA-N	2	0	300.403	-1.328	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(C)(C)C	ZINC001382234085	922631137	/nfs/dbraw/zinc/63/11/37/922631137.db2.gz	JBSPZFYRWMUSTA-NSHDSACASA-N	2	0	302.419	-1.081	20	0		DAADRP
CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC)C1	ZINC001382238585	922634465	/nfs/dbraw/zinc/63/44/65/922634465.db2.gz	OCWFQKHQTIIIAO-OLZOCXBDSA-N	2	0	314.430	-1.079	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCc2ncnn21	ZINC001382237419	922634571	/nfs/dbraw/zinc/63/45/71/922634571.db2.gz	QZOKKUPYGBRULV-NEPJUHHUSA-N	2	0	310.402	-1.216	20	0		DAADRP
CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C	ZINC001382250889	922643258	/nfs/dbraw/zinc/64/32/58/922643258.db2.gz	ONOVPGCWCKWTPE-LLVKDONJSA-N	2	0	302.419	-1.223	20	0		DAADRP
O=C(NC[C@@H](CO)[NH2+]CCN1CCCC1=O)C12CC[NH+](CC1)C2	ZINC001382268664	922655712	/nfs/dbraw/zinc/65/57/12/922655712.db2.gz	YITXREUPQXPZKV-ZDUSSCGKSA-N	2	0	324.425	-1.229	20	0		DAADRP
CCN(CC)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001382270811	922656473	/nfs/dbraw/zinc/65/64/73/922656473.db2.gz	DRPYYXARJKLTQM-OLZOCXBDSA-N	2	0	314.430	-1.127	20	0		DAADRP
CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001382275444	922661558	/nfs/dbraw/zinc/66/15/58/922661558.db2.gz	SYTOIRGZQWQVFP-RYUDHWBXSA-N	2	0	300.403	-1.517	20	0		DAADRP
CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001382275439	922663230	/nfs/dbraw/zinc/66/32/30/922663230.db2.gz	SYTOIRGZQWQVFP-NEPJUHHUSA-N	2	0	300.403	-1.517	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C	ZINC001382385007	922711085	/nfs/dbraw/zinc/71/10/85/922711085.db2.gz	GTISNVZWMRWLRQ-NEPJUHHUSA-N	2	0	300.403	-1.374	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)C1CC[NH+](C)CC1	ZINC001382414408	922733758	/nfs/dbraw/zinc/73/37/58/922733758.db2.gz	OMURVKCIIVAEFB-STQMWFEESA-N	2	0	312.414	-1.374	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001382439920	922750676	/nfs/dbraw/zinc/75/06/76/922750676.db2.gz	HGJRFWUTNSYNJE-CHWSQXEVSA-N	2	0	314.430	-1.128	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)C[NH+]1CCCC1	ZINC001382445795	922758692	/nfs/dbraw/zinc/75/86/92/922758692.db2.gz	RFUCQAAENHDLJU-STQMWFEESA-N	2	0	312.414	-1.230	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)NC(=O)CC[NH+](C)C)C1	ZINC001382633237	922826111	/nfs/dbraw/zinc/82/61/11/922826111.db2.gz	UJTYYALZMSUBIF-QWHCGFSZSA-N	2	0	314.430	-1.127	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[NH+](C)C1	ZINC001383926281	922980589	/nfs/dbraw/zinc/98/05/89/922980589.db2.gz	KVTSIMYJUPCUCI-CHWSQXEVSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1O	ZINC001384798036	923118939	/nfs/dbraw/zinc/11/89/39/923118939.db2.gz	HRPCQUUHFNUECN-CHWSQXEVSA-N	2	0	314.430	-1.032	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[NH+](C)C1	ZINC001389095901	923548676	/nfs/dbraw/zinc/54/86/76/923548676.db2.gz	ILJQNSUBLGZGPZ-QWHCGFSZSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(=O)NC(N)=O	ZINC001390016370	923710129	/nfs/dbraw/zinc/71/01/29/923710129.db2.gz	SMFQVLQMXYKJMH-DBIOUOCHSA-N	2	0	311.386	-1.242	20	0		DAADRP
C[NH+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1	ZINC001390102734	923720326	/nfs/dbraw/zinc/72/03/26/923720326.db2.gz	ZIWMAFUDXYUVAD-NSHDSACASA-N	2	0	313.402	-1.039	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2	ZINC001390506095	923749853	/nfs/dbraw/zinc/74/98/53/923749853.db2.gz	ICLUKWPLHMIZNQ-JTQLQIEISA-N	2	0	311.386	-1.368	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O	ZINC001391221384	923819682	/nfs/dbraw/zinc/81/96/82/923819682.db2.gz	PXPRQMPHUHLTHP-QWHCGFSZSA-N	2	0	312.414	-1.109	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001391217896	923820591	/nfs/dbraw/zinc/82/05/91/923820591.db2.gz	GKPUCTVUCWDAFW-MNOVXSKESA-N	2	0	313.402	-1.170	20	0		DAADRP
CCC[N@H+](C)CCC(=O)NCC1CN(CC(=O)NC(N)=O)C1	ZINC001391514381	923849774	/nfs/dbraw/zinc/84/97/74/923849774.db2.gz	ICRWRNROSDNETI-UHFFFAOYSA-N	2	0	313.402	-1.039	20	0		DAADRP
CC[NH+](CC)CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001392099936	923934585	/nfs/dbraw/zinc/93/45/85/923934585.db2.gz	QYHQNFCFXYXZNX-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C[C@H]1CC[N@H+](C)C1	ZINC001392125874	923937654	/nfs/dbraw/zinc/93/76/54/923937654.db2.gz	QVAXITGIRGGANE-GHMZBOCLSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001392149759	923944558	/nfs/dbraw/zinc/94/45/58/923944558.db2.gz	ZHKOOHGJQZANLR-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001392367313	923978526	/nfs/dbraw/zinc/97/85/26/923978526.db2.gz	RSTHCUFUNXFMTN-RYUDHWBXSA-N	2	0	300.403	-1.374	20	0		DAADRP
O=C(C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N1CCC1	ZINC001392374418	923984808	/nfs/dbraw/zinc/98/48/08/923984808.db2.gz	KBAXTHJKPKXBLG-UONOGXRCSA-N	2	0	324.425	-1.373	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1	ZINC001392377680	923988407	/nfs/dbraw/zinc/98/84/07/923988407.db2.gz	UPVIAICFQOIUKS-LLVKDONJSA-N	2	0	300.403	-1.327	20	0		DAADRP
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1	ZINC001392389774	924003127	/nfs/dbraw/zinc/00/31/27/924003127.db2.gz	OZIIKRYTVAUBJB-CHWSQXEVSA-N	2	0	312.414	-1.230	20	0		DAADRP
CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1	ZINC001392390235	924003539	/nfs/dbraw/zinc/00/35/39/924003539.db2.gz	HRPBCEHUMXUDDA-VXGBXAGGSA-N	2	0	300.403	-1.340	20	0		DAADRP
CC(C)(C(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O)[NH+]1CCCC1	ZINC001392392935	924005077	/nfs/dbraw/zinc/00/50/77/924005077.db2.gz	PWRMNLWUJAQCDW-NWDGAFQWSA-N	2	0	312.414	-1.184	20	0		DAADRP
COC[C@H](O)C[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+]1CCC2	ZINC001392395229	924008571	/nfs/dbraw/zinc/00/85/71/924008571.db2.gz	YNYNYQCLKGOIPD-QWHCGFSZSA-N	2	0	315.414	-1.311	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001392403334	924014132	/nfs/dbraw/zinc/01/41/32/924014132.db2.gz	UXUWSAWCIXWQHD-QWHCGFSZSA-N	2	0	314.430	-1.127	20	0		DAADRP
CC(C)[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)CC1	ZINC001392409897	924016333	/nfs/dbraw/zinc/01/63/33/924016333.db2.gz	NCRBFZLTGXWZAS-LBPRGKRZSA-N	2	0	300.403	-1.341	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O)C1	ZINC001392420498	924022473	/nfs/dbraw/zinc/02/24/73/924022473.db2.gz	HIMAYLYJOKGLHO-ZJUUUORDSA-N	2	0	315.374	-2.410	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001392429980	924029733	/nfs/dbraw/zinc/02/97/33/924029733.db2.gz	SQOFDDYVAFBNAI-VHSXEESVSA-N	2	0	315.374	-2.540	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1	ZINC001392560586	924048649	/nfs/dbraw/zinc/04/86/49/924048649.db2.gz	IWJWFGYZVSLKCK-NSHDSACASA-N	2	0	310.402	-1.101	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NC(N)=O)C1CC1	ZINC001392766219	924075236	/nfs/dbraw/zinc/07/52/36/924075236.db2.gz	INMSZMRLSYOFBA-WDEREUQCSA-N	2	0	311.386	-1.240	20	0		DAADRP
C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(=O)NC(N)=O	ZINC001392957639	924102707	/nfs/dbraw/zinc/10/27/07/924102707.db2.gz	XFXLNOIBCMRTTG-NXEZZACHSA-N	2	0	311.386	-1.240	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCCNC2=O)C1	ZINC001393271903	924143428	/nfs/dbraw/zinc/14/34/28/924143428.db2.gz	HOOCNMXVGLADER-SWLSCSKDSA-N	2	0	312.414	-1.230	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@]1(O)CC[N@@H+]([C@H]2CCCNC2=O)C1	ZINC001393272507	924145052	/nfs/dbraw/zinc/14/50/52/924145052.db2.gz	CZQIMJFFFOCLPO-XJKSGUPXSA-N	2	0	324.425	-1.086	20	0		DAADRP
CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001393277025	924147881	/nfs/dbraw/zinc/14/78/81/924147881.db2.gz	AFKHGTNAVILBRV-MLGOLLRUSA-N	2	0	324.425	-1.230	20	0		DAADRP
CC[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1	ZINC001393283293	924151136	/nfs/dbraw/zinc/15/11/36/924151136.db2.gz	YJUAPLLKYOZBEX-BXUZGUMPSA-N	2	0	300.403	-1.245	20	0		DAADRP
CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1	ZINC001393282047	924151612	/nfs/dbraw/zinc/15/16/12/924151612.db2.gz	WIMYVDVIGWCXLI-FZMZJTMJSA-N	2	0	300.403	-1.374	20	0		DAADRP
CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1	ZINC001393282041	924152238	/nfs/dbraw/zinc/15/22/38/924152238.db2.gz	WIMYVDVIGWCXLI-BXUZGUMPSA-N	2	0	300.403	-1.374	20	0		DAADRP
COC[C@@H](O)C[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1	ZINC001393457111	924207942	/nfs/dbraw/zinc/20/79/42/924207942.db2.gz	VJQOLCROEYIUGJ-DZGCQCFKSA-N	2	0	317.430	-1.112	20	0		DAADRP
COC[C@@H](O)C[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1	ZINC001393457139	924209548	/nfs/dbraw/zinc/20/95/48/924209548.db2.gz	VJQOLCROEYIUGJ-ZFWWWQNUSA-N	2	0	317.430	-1.112	20	0		DAADRP
C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)N(C)C	ZINC001393456707	924211262	/nfs/dbraw/zinc/21/12/62/924211262.db2.gz	FFZWYDMHJPNJET-OLZOCXBDSA-N	2	0	314.430	-1.032	20	0		DAADRP
CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)C(N)=O	ZINC001393478114	924215808	/nfs/dbraw/zinc/21/58/08/924215808.db2.gz	HPWQUEQCFYEZBT-NWDGAFQWSA-N	2	0	300.403	-1.388	20	0		DAADRP
C[NH+](C)CCC(=O)N1CCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1	ZINC001393585761	924231452	/nfs/dbraw/zinc/23/14/52/924231452.db2.gz	IIFOBGHUJTYARE-SNVBAGLBSA-N	2	0	315.374	-2.050	20	0		DAADRP
C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NC(N)=O	ZINC001394472416	924303592	/nfs/dbraw/zinc/30/35/92/924303592.db2.gz	AWBAZYRUOBVFKM-GMTAPVOTSA-N	2	0	313.402	-1.042	20	0		DAADRP
Cc1c(C(=O)NC[C@H](CO)[NH2+]CC(N)=O)ccc2c[nH+]cn21	ZINC001394601420	924331710	/nfs/dbraw/zinc/33/17/10/924331710.db2.gz	FLGQOSMWDJKGBJ-SNVBAGLBSA-N	2	0	305.338	-1.192	20	0		DAADRP
COC[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001394608825	924335113	/nfs/dbraw/zinc/33/51/13/924335113.db2.gz	BOGQMAQXEYUOMP-AGIUHOORSA-N	2	0	303.403	-1.455	20	0		DAADRP
COC[C@H](O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001394608842	924335671	/nfs/dbraw/zinc/33/56/71/924335671.db2.gz	BOGQMAQXEYUOMP-XQQFMLRXSA-N	2	0	303.403	-1.455	20	0		DAADRP
COC[C@H](O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001394608835	924335696	/nfs/dbraw/zinc/33/56/96/924335696.db2.gz	BOGQMAQXEYUOMP-UPJWGTAASA-N	2	0	303.403	-1.455	20	0		DAADRP
C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1)C(N)=O	ZINC001394745526	924373149	/nfs/dbraw/zinc/37/31/49/924373149.db2.gz	WWLIPIZKGJESHU-MNOVXSKESA-N	2	0	300.403	-1.247	20	0		DAADRP
CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1)C(N)=O	ZINC001394754413	924377693	/nfs/dbraw/zinc/37/76/93/924377693.db2.gz	NDBCBRBKRWRMEY-RYUDHWBXSA-N	2	0	300.403	-1.245	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C	ZINC001394755429	924379125	/nfs/dbraw/zinc/37/91/25/924379125.db2.gz	CTFAYAFWXSIXKU-YPMHNXCESA-N	2	0	302.419	-1.273	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C	ZINC001394755424	924379283	/nfs/dbraw/zinc/37/92/83/924379283.db2.gz	CTFAYAFWXSIXKU-DGCLKSJQSA-N	2	0	302.419	-1.273	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1	ZINC001394760195	924380993	/nfs/dbraw/zinc/38/09/93/924380993.db2.gz	TWGGCYQUEPSVMC-ZDUSSCGKSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C	ZINC001395797174	924480145	/nfs/dbraw/zinc/48/01/45/924480145.db2.gz	APTDIYWVJAWDLG-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1	ZINC001396394471	924519285	/nfs/dbraw/zinc/51/92/85/924519285.db2.gz	SNBYWGNDMZLTEZ-CHWSQXEVSA-N	2	0	314.430	-1.032	20	0		DAADRP
CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C	ZINC001398508391	924645392	/nfs/dbraw/zinc/64/53/92/924645392.db2.gz	UOCMLNOHTOEFOR-JQWIXIFHSA-N	2	0	313.402	-1.042	20	0		DAADRP
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001398621599	924657361	/nfs/dbraw/zinc/65/73/61/924657361.db2.gz	JENSESXMGHYYOW-OUAUKWLOSA-N	2	0	311.386	-1.098	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001398927259	924678695	/nfs/dbraw/zinc/67/86/95/924678695.db2.gz	TZFCQAQQKXIEOG-GMTAPVOTSA-N	2	0	313.402	-1.124	20	0		DAADRP
C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCNC(=O)C1	ZINC001399020102	924684961	/nfs/dbraw/zinc/68/49/61/924684961.db2.gz	ISOBUJCBNRMYTA-LLVKDONJSA-N	2	0	313.402	-2.009	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001399829779	924739620	/nfs/dbraw/zinc/73/96/20/924739620.db2.gz	IHEQTUCHOZIHEY-QWHCGFSZSA-N	2	0	324.425	-1.373	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[NH+](C)C1	ZINC001399858602	924747460	/nfs/dbraw/zinc/74/74/60/924747460.db2.gz	SBVMZKTUVKHSBX-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)NC(N)=O	ZINC001401108586	924841937	/nfs/dbraw/zinc/84/19/37/924841937.db2.gz	RDLWPNCQBBTPNX-GMTAPVOTSA-N	2	0	313.402	-1.137	20	0		DAADRP
COC[C@H](O)C[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1	ZINC001401550470	924884119	/nfs/dbraw/zinc/88/41/19/924884119.db2.gz	GOMYWPFFSLGRFT-QWHCGFSZSA-N	2	0	303.403	-1.598	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C	ZINC001401563546	924891819	/nfs/dbraw/zinc/89/18/19/924891819.db2.gz	UIMMFRLVWQGNDY-VIFPVBQESA-N	2	0	303.363	-2.540	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)C1	ZINC001401562102	924892702	/nfs/dbraw/zinc/89/27/02/924892702.db2.gz	UPSUBHHMXHENKK-VHSXEESVSA-N	2	0	315.374	-2.410	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O)C1	ZINC001401562105	924892855	/nfs/dbraw/zinc/89/28/55/924892855.db2.gz	UPSUBHHMXHENKK-ZJUUUORDSA-N	2	0	315.374	-2.410	20	0		DAADRP
CN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)C2(C[NH+](C)C)CC2)C1=O	ZINC001401575066	924898574	/nfs/dbraw/zinc/89/85/74/924898574.db2.gz	RLCCZINSQGDGKN-RYUDHWBXSA-N	2	0	312.414	-1.374	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2	ZINC001401575203	924899551	/nfs/dbraw/zinc/89/95/51/924899551.db2.gz	WVGXKLCSISMBTE-NWDGAFQWSA-N	2	0	312.414	-1.184	20	0		DAADRP
CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C2(C[NH+](C)C)CC2)C1=O	ZINC001401575063	924899885	/nfs/dbraw/zinc/89/98/85/924899885.db2.gz	RLCCZINSQGDGKN-NWDGAFQWSA-N	2	0	312.414	-1.374	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)C1	ZINC001401581494	924900624	/nfs/dbraw/zinc/90/06/24/924900624.db2.gz	KZPDWQYWHJTDBR-WCQYABFASA-N	2	0	312.414	-1.327	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O	ZINC001401591129	924902517	/nfs/dbraw/zinc/90/25/17/924902517.db2.gz	UHVPOVQCCRCSTJ-VIFPVBQESA-N	2	0	303.363	-2.412	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O	ZINC001401591946	924902592	/nfs/dbraw/zinc/90/25/92/924902592.db2.gz	VXMVXSLCHYUBHU-VXGBXAGGSA-N	2	0	300.403	-1.328	20	0		DAADRP
Cn1[nH]c(C[NH2+]C[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)nc1=O	ZINC001401584820	924902919	/nfs/dbraw/zinc/90/29/19/924902919.db2.gz	OEVDZNIPTAXFJJ-JTQLQIEISA-N	2	0	324.385	-2.229	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O	ZINC001401591093	924903251	/nfs/dbraw/zinc/90/32/51/924903251.db2.gz	UHVPOVQCCRCSTJ-SECBINFHSA-N	2	0	303.363	-2.412	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC001401942319	924935471	/nfs/dbraw/zinc/93/54/71/924935471.db2.gz	SDEMAMJRGVRZAA-JTQLQIEISA-N	2	0	311.386	-1.225	20	0		DAADRP
CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CCN(CC(N)=O)C1	ZINC001402310000	924971218	/nfs/dbraw/zinc/97/12/18/924971218.db2.gz	HWYBEHMEHXOUQW-SWLSCSKDSA-N	2	0	312.414	-1.101	20	0		DAADRP
CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CCN(CC(N)=O)C1	ZINC001402309050	924971498	/nfs/dbraw/zinc/97/14/98/924971498.db2.gz	HWYBEHMEHXOUQW-DOMZBBRYSA-N	2	0	312.414	-1.101	20	0		DAADRP
CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NC)C1)[NH+](C)C	ZINC001402603034	925015990	/nfs/dbraw/zinc/01/59/90/925015990.db2.gz	NFWUZZIQKKVGBT-RYUDHWBXSA-N	2	0	300.403	-1.110	20	0		DAADRP
CNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1	ZINC001402753764	925026497	/nfs/dbraw/zinc/02/64/97/925026497.db2.gz	YLVILDBXXHVSQF-GFCCVEGCSA-N	2	0	312.414	-1.061	20	0		DAADRP
C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1[NH2+]CC(=O)NC(N)=O	ZINC001402769389	925026992	/nfs/dbraw/zinc/02/69/92/925026992.db2.gz	BZJNLWLTBRBWHY-MNOVXSKESA-N	2	0	313.402	-1.040	20	0		DAADRP
C[C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+]CC(N)=O	ZINC001402910180	925040230	/nfs/dbraw/zinc/04/02/30/925040230.db2.gz	CMFLMHOSJBPTDS-NSHDSACASA-N	2	0	300.403	-1.076	20	0		DAADRP
C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)NC(=O)C12CC[NH+](CC1)C2	ZINC001403049882	925049125	/nfs/dbraw/zinc/04/91/25/925049125.db2.gz	YIXZSGUXLKCLSG-ZJUUUORDSA-N	2	0	311.386	-1.240	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1	ZINC001403243210	925065904	/nfs/dbraw/zinc/06/59/04/925065904.db2.gz	IAZWMQQKJCJNJH-LLVKDONJSA-N	2	0	313.402	-1.168	20	0		DAADRP
CNC(=O)NC(=O)CN1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1	ZINC001403321141	925070828	/nfs/dbraw/zinc/07/08/28/925070828.db2.gz	IZYYMKSBSPRTCG-SNVBAGLBSA-N	2	0	313.402	-1.170	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NCC[C@H](C)[NH2+]CC(N)=O	ZINC001403462923	925079507	/nfs/dbraw/zinc/07/95/07/925079507.db2.gz	GJRAZTIEAQUGHD-NEPJUHHUSA-N	2	0	300.403	-1.076	20	0		DAADRP
CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)C1=O	ZINC001403705645	925122438	/nfs/dbraw/zinc/12/24/38/925122438.db2.gz	UEFMTURIZRYWKY-NEPJUHHUSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC(C)[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C)[NH+](C)C	ZINC001403710344	925125041	/nfs/dbraw/zinc/12/50/41/925125041.db2.gz	AJYICNFGTWGHBX-YPMHNXCESA-N	2	0	302.419	-1.273	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O)C1	ZINC001403723889	925130988	/nfs/dbraw/zinc/13/09/88/925130988.db2.gz	JNIKZLCYUBDKOI-NXEZZACHSA-N	2	0	315.374	-2.410	20	0		DAADRP
CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001403731931	925133008	/nfs/dbraw/zinc/13/30/08/925133008.db2.gz	RCICLEMJHPQSHR-QWHCGFSZSA-N	2	0	314.430	-1.081	20	0		DAADRP
Cn1cc(CC[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1	ZINC001403749226	925137135	/nfs/dbraw/zinc/13/71/35/925137135.db2.gz	PSKHFCUVVBBYMJ-KGLIPLIRSA-N	2	0	309.414	-1.019	20	0		DAADRP
C[NH+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)C(C)(C)C1	ZINC001403811191	925143476	/nfs/dbraw/zinc/14/34/76/925143476.db2.gz	CJASWMNSVBKPJR-JTQLQIEISA-N	2	0	313.402	-1.040	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001403854541	925155916	/nfs/dbraw/zinc/15/59/16/925155916.db2.gz	RPVJNQBYIVSRON-RYUDHWBXSA-N	2	0	300.403	-1.245	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)C(C)C	ZINC001403873021	925159684	/nfs/dbraw/zinc/15/96/84/925159684.db2.gz	FFMPZQDORUBMGG-RYUDHWBXSA-N	2	0	302.419	-1.130	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)C(C)C	ZINC001403873020	925160688	/nfs/dbraw/zinc/16/06/88/925160688.db2.gz	FFMPZQDORUBMGG-NWDGAFQWSA-N	2	0	302.419	-1.130	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O	ZINC001403878591	925161863	/nfs/dbraw/zinc/16/18/63/925161863.db2.gz	KSNFJNHHOSNXIX-CHWSQXEVSA-N	2	0	314.430	-1.034	20	0		DAADRP
CN(C[C@@H](O)C[N@H+](C)[C@H]1CCNC1=O)C(=O)CC[NH+](C)C	ZINC001403891281	925164385	/nfs/dbraw/zinc/16/43/85/925164385.db2.gz	BVBXGMDQQDTCGQ-RYUDHWBXSA-N	2	0	300.403	-1.422	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001403886557	925165334	/nfs/dbraw/zinc/16/53/34/925165334.db2.gz	UOWAQIXQAPLGFW-RYUDHWBXSA-N	2	0	310.398	-1.620	20	0		DAADRP
C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)COC1CC[NH+](C)CC1	ZINC001403887621	925165406	/nfs/dbraw/zinc/16/54/06/925165406.db2.gz	YPIBXHVHQNBWTP-CHWSQXEVSA-N	2	0	317.430	-1.113	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1	ZINC001404081014	925183089	/nfs/dbraw/zinc/18/30/89/925183089.db2.gz	LKPMSIXEFUESRU-NSHDSACASA-N	2	0	313.402	-1.039	20	0		DAADRP
C[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NC(N)=O)C1	ZINC001404590252	925206294	/nfs/dbraw/zinc/20/62/94/925206294.db2.gz	KOJUZMMZPBWDLY-NSHDSACASA-N	2	0	313.402	-1.087	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[NH+](C)C1	ZINC001405406198	925307488	/nfs/dbraw/zinc/30/74/88/925307488.db2.gz	YKEYNZIZVRUONL-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[NH+](C)C1	ZINC001405406188	925308151	/nfs/dbraw/zinc/30/81/51/925308151.db2.gz	YKEYNZIZVRUONL-OLZOCXBDSA-N	2	0	314.430	-1.127	20	0		DAADRP
CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001406238545	925369886	/nfs/dbraw/zinc/36/98/86/925369886.db2.gz	HCZDKCYLBRZCOM-DTWKUNHWSA-N	2	0	303.363	-2.412	20	0		DAADRP
NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1	ZINC001406253168	925376878	/nfs/dbraw/zinc/37/68/78/925376878.db2.gz	WYIQAIKVWOCZOA-STQMWFEESA-N	2	0	312.414	-1.055	20	0		DAADRP
CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC	ZINC001406252555	925377846	/nfs/dbraw/zinc/37/78/46/925377846.db2.gz	XUCRRZPMUVPQFB-RYUDHWBXSA-N	2	0	300.403	-1.327	20	0		DAADRP
CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1)C(N)=O	ZINC001406258714	925381303	/nfs/dbraw/zinc/38/13/03/925381303.db2.gz	NHWSZAZXEMBBFT-VXGBXAGGSA-N	2	0	300.403	-1.341	20	0		DAADRP
CN1CCC[C@H]([NH2+]C[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001406276906	925390626	/nfs/dbraw/zinc/39/06/26/925390626.db2.gz	IECWODAIMJPWEV-OLZOCXBDSA-N	2	0	324.425	-1.230	20	0		DAADRP
C[NH+](C)CCCC(=O)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O	ZINC001406275735	925391163	/nfs/dbraw/zinc/39/11/63/925391163.db2.gz	VNMCMBUVIGHZTD-NEPJUHHUSA-N	2	0	300.403	-1.327	20	0		DAADRP
C[NH+](C)Cc1cccc(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)c1	ZINC001406288775	925396138	/nfs/dbraw/zinc/39/61/38/925396138.db2.gz	ODYJZDRZDMBPNX-CYBMUJFWSA-N	2	0	308.382	-1.086	20	0		DAADRP
C[NH+](C)Cc1cccc(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)c1	ZINC001406288777	925396548	/nfs/dbraw/zinc/39/65/48/925396548.db2.gz	ODYJZDRZDMBPNX-ZDUSSCGKSA-N	2	0	308.382	-1.086	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC(=O)NC(N)=O)C1	ZINC001407115849	925452933	/nfs/dbraw/zinc/45/29/33/925452933.db2.gz	SSGRMABIFWWTLD-MNOVXSKESA-N	2	0	311.386	-1.286	20	0		DAADRP
COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001407846000	925530260	/nfs/dbraw/zinc/53/02/60/925530260.db2.gz	FUJOEAPPLYJGRZ-OLZOCXBDSA-N	2	0	303.403	-1.238	20	0		DAADRP
COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001407845998	925530661	/nfs/dbraw/zinc/53/06/61/925530661.db2.gz	FUJOEAPPLYJGRZ-CHWSQXEVSA-N	2	0	303.403	-1.238	20	0		DAADRP
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1	ZINC001408034498	925540982	/nfs/dbraw/zinc/54/09/82/925540982.db2.gz	ITPSDDFARUXPIN-IUODEOHRSA-N	2	0	312.414	-1.101	20	0		DAADRP
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1	ZINC001408034497	925541459	/nfs/dbraw/zinc/54/14/59/925541459.db2.gz	ITPSDDFARUXPIN-DOMZBBRYSA-N	2	0	312.414	-1.101	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001410129013	925690718	/nfs/dbraw/zinc/69/07/18/925690718.db2.gz	LWPDMGLYKLRWAK-RYUDHWBXSA-N	2	0	300.403	-1.517	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21	ZINC001410143225	925694591	/nfs/dbraw/zinc/69/45/91/925694591.db2.gz	WTUHWZAQYYCFBV-RTCCRHLQSA-N	2	0	311.386	-1.573	20	0		DAADRP
C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]CC(=O)NC(N)=O	ZINC001410429553	925718506	/nfs/dbraw/zinc/71/85/06/925718506.db2.gz	DFVNHSPVJAVGGC-SNVBAGLBSA-N	2	0	301.391	-1.040	20	0		DAADRP
CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001410641795	925746626	/nfs/dbraw/zinc/74/66/26/925746626.db2.gz	CCTDWZZPGPZCCZ-OLZOCXBDSA-N	2	0	312.414	-1.517	20	0		DAADRP
C[C@@H]([NH2+][C@H](CO)CNC(=O)CC1CC[NH+](C)CC1)C(N)=O	ZINC001410723948	925767941	/nfs/dbraw/zinc/76/79/41/925767941.db2.gz	JWFNXOMUAHSENS-PWSUYJOCSA-N	2	0	300.403	-1.341	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1	ZINC001410775887	925778304	/nfs/dbraw/zinc/77/83/04/925778304.db2.gz	APHBGFUAAFFZPK-SECBINFHSA-N	2	0	301.347	-2.656	20	0		DAADRP
CN(C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1	ZINC001410775841	925778619	/nfs/dbraw/zinc/77/86/19/925778619.db2.gz	AJZZRDWDOVXIAY-RYUDHWBXSA-N	2	0	312.414	-1.374	20	0		DAADRP
Cn1nccc1CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001410780362	925780901	/nfs/dbraw/zinc/78/09/01/925780901.db2.gz	FIUBMXFGCPTAQC-OLZOCXBDSA-N	2	0	309.414	-1.019	20	0		DAADRP
C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)C1CCC1)C(N)=O	ZINC001411036810	925802480	/nfs/dbraw/zinc/80/24/80/925802480.db2.gz	BSRREHCTTIDDBF-PWSUYJOCSA-N	2	0	300.403	-1.247	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)C[N@H+](C)C1CCC1	ZINC001411044804	925805822	/nfs/dbraw/zinc/80/58/22/925805822.db2.gz	PSOSSPLLFVPSQK-OLZOCXBDSA-N	2	0	312.414	-1.232	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001411138516	925818673	/nfs/dbraw/zinc/81/86/73/925818673.db2.gz	LVEWAOCBNPMCPJ-STQMWFEESA-N	2	0	312.414	-1.421	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001411148008	925821282	/nfs/dbraw/zinc/82/12/82/925821282.db2.gz	ULIMSZBQJLEIMS-OLZOCXBDSA-N	2	0	314.430	-1.175	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)N[C@H](CO)CNC(=O)CC[NH+](C)C)C1	ZINC001412976700	925997608	/nfs/dbraw/zinc/99/76/08/925997608.db2.gz	WNBIUAUAGPXBQL-OLZOCXBDSA-N	2	0	314.430	-1.127	20	0		DAADRP
CN(C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)CC[NH+](C)C	ZINC001413326630	926036905	/nfs/dbraw/zinc/03/69/05/926036905.db2.gz	COSACQPYPORIEO-QWHCGFSZSA-N	2	0	314.430	-1.175	20	0		DAADRP
CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)CC[NH+](C)C	ZINC001413326612	926037753	/nfs/dbraw/zinc/03/77/53/926037753.db2.gz	COSACQPYPORIEO-CHWSQXEVSA-N	2	0	314.430	-1.175	20	0		DAADRP
CN1CCN(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1	ZINC001414218511	926110930	/nfs/dbraw/zinc/11/09/30/926110930.db2.gz	ZZKFEJZBCLRSAB-UHFFFAOYSA-N	2	0	321.491	-1.096	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001416778966	926275020	/nfs/dbraw/zinc/27/50/20/926275020.db2.gz	QOIBHPZAMSZITP-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1	ZINC001418021500	926356860	/nfs/dbraw/zinc/35/68/60/926356860.db2.gz	TWHJBIDBYCLAHV-YPMHNXCESA-N	2	0	312.414	-1.076	20	0		DAADRP
CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1	ZINC001418311736	926381356	/nfs/dbraw/zinc/38/13/56/926381356.db2.gz	AQUCVEQPIRHBGZ-NWDGAFQWSA-N	2	0	300.403	-1.205	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1	ZINC001418330148	926384085	/nfs/dbraw/zinc/38/40/85/926384085.db2.gz	ISYSTOZHXCAYHM-WDEREUQCSA-N	2	0	311.386	-1.273	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1	ZINC001418669058	926414848	/nfs/dbraw/zinc/41/48/48/926414848.db2.gz	BKHDWDYCRZHTQS-LBPRGKRZSA-N	2	0	320.459	-1.075	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1	ZINC001418703200	926416923	/nfs/dbraw/zinc/41/69/23/926416923.db2.gz	RCWZWRMLMLLQEJ-XYPYZODXSA-N	2	0	313.402	-1.122	20	0		DAADRP
C[C@@H]([NH2+]CCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)C(N)=O	ZINC001418833678	926426485	/nfs/dbraw/zinc/42/64/85/926426485.db2.gz	RPIWURXLBLYUSX-NWDGAFQWSA-N	2	0	300.403	-1.124	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O	ZINC001418833674	926426827	/nfs/dbraw/zinc/42/68/27/926426827.db2.gz	RPIWURXLBLYUSX-NEPJUHHUSA-N	2	0	300.403	-1.124	20	0		DAADRP
CCCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1	ZINC001420140266	926540802	/nfs/dbraw/zinc/54/08/02/926540802.db2.gz	DQCLTTNRCHAEEN-ZDUSSCGKSA-N	2	0	314.430	-1.079	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C	ZINC001420153303	926543849	/nfs/dbraw/zinc/54/38/49/926543849.db2.gz	ZYMDJNHKUSJWEJ-UWVGGRQHSA-N	2	0	317.390	-2.151	20	0		DAADRP
C[C@@H]([NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O	ZINC001420154575	926545229	/nfs/dbraw/zinc/54/52/29/926545229.db2.gz	FKBQAKGBWYTTHR-MNOVXSKESA-N	2	0	300.403	-1.199	20	0		DAADRP
COC[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2	ZINC001420164311	926548936	/nfs/dbraw/zinc/54/89/36/926548936.db2.gz	YNYNYQCLKGOIPD-OLZOCXBDSA-N	2	0	315.414	-1.311	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001420192858	926558398	/nfs/dbraw/zinc/55/83/98/926558398.db2.gz	RSRWDHBMAIMYEO-RYUDHWBXSA-N	2	0	300.403	-1.471	20	0		DAADRP
O=C(NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O)C12CC[NH+](CC1)C2	ZINC001420197420	926561780	/nfs/dbraw/zinc/56/17/80/926561780.db2.gz	OJHLLUXACSTTNE-RYUDHWBXSA-N	2	0	310.398	-1.573	20	0		DAADRP
CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001420343175	926582550	/nfs/dbraw/zinc/58/25/50/926582550.db2.gz	WRSMAOBLBMTGDP-MWLCHTKSSA-N	2	0	301.391	-1.138	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCn2cncn2)C1	ZINC001421342460	926668245	/nfs/dbraw/zinc/66/82/45/926668245.db2.gz	UNXFGGXIQJVVQC-UKRRQHHQSA-N	2	0	322.413	-1.075	20	0		DAADRP
CC[C@H](C(=O)NC[C@@]1(O)CC[N@H+](C[C@@H](O)COC)C1)[NH+](C)C	ZINC001421366709	926676048	/nfs/dbraw/zinc/67/60/48/926676048.db2.gz	WYOLADNTPZJCPR-NFAWXSAZSA-N	2	0	317.430	-1.113	20	0		DAADRP
CC[C@@H](C(=O)N(CCO)CC[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C	ZINC001421634928	926737411	/nfs/dbraw/zinc/73/74/11/926737411.db2.gz	MDADSBWALIACLW-OLZOCXBDSA-N	2	0	314.430	-1.032	20	0		DAADRP
O=C([C@H]1C[NH+]2CCC1CC2)N(CCO)CC[NH2+][C@H]1CCNC1=O	ZINC001421639057	926739666	/nfs/dbraw/zinc/73/96/66/926739666.db2.gz	VNRGLNDCTMSHGV-KBPBESRZSA-N	2	0	324.425	-1.373	20	0		DAADRP
O=C([C@@H]1C[NH+]2CCC1CC2)N(CCO)CC[NH2+][C@@H]1CCNC1=O	ZINC001421639069	926740687	/nfs/dbraw/zinc/74/06/87/926740687.db2.gz	VNRGLNDCTMSHGV-ZIAGYGMSSA-N	2	0	324.425	-1.373	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001421674079	926743420	/nfs/dbraw/zinc/74/34/20/926743420.db2.gz	IYOCKWOHJHLXGG-MNOVXSKESA-N	2	0	313.402	-1.122	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1	ZINC001421801819	926757218	/nfs/dbraw/zinc/75/72/18/926757218.db2.gz	LDMCRCWMDLAFQX-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C1(C[NH+](C)C)CC1	ZINC001421951605	926775609	/nfs/dbraw/zinc/77/56/09/926775609.db2.gz	WJZIFKKJEUAHLF-JTQLQIEISA-N	2	0	313.402	-1.040	20	0		DAADRP
CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)C1=O	ZINC001422345125	926841392	/nfs/dbraw/zinc/84/13/92/926841392.db2.gz	JIPMLBGWBJJIGJ-NEPJUHHUSA-N	2	0	300.403	-1.374	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001422366414	926853539	/nfs/dbraw/zinc/85/35/39/926853539.db2.gz	ZQLKDLWZXTUZTE-NEPJUHHUSA-N	2	0	300.403	-1.469	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCC2)C1	ZINC001422408845	926865995	/nfs/dbraw/zinc/86/59/95/926865995.db2.gz	WDGAGIZKBFCVIY-OLZOCXBDSA-N	2	0	312.414	-1.373	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1	ZINC001422404966	926867581	/nfs/dbraw/zinc/86/75/81/926867581.db2.gz	NKGQPRZOODDBEE-JTQLQIEISA-N	2	0	315.374	-2.396	20	0		DAADRP
CN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)CCC[NH+](C)C)C1=O	ZINC001423262104	927005445	/nfs/dbraw/zinc/00/54/45/927005445.db2.gz	ZXHJNGGQGOMDSD-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O	ZINC001423282172	927012185	/nfs/dbraw/zinc/01/21/85/927012185.db2.gz	JTPFLOXHJOMFAB-RYUDHWBXSA-N	2	0	300.403	-1.327	20	0		DAADRP
CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(=O)NC)[NH+](C)C	ZINC001423297312	927017613	/nfs/dbraw/zinc/01/76/13/927017613.db2.gz	OXUNBHYTKOYVPU-NXEZZACHSA-N	2	0	317.390	-2.151	20	0		DAADRP
CN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001423301989	927021586	/nfs/dbraw/zinc/02/15/86/927021586.db2.gz	UVBWPCZMBHIWBA-NWDGAFQWSA-N	2	0	310.398	-1.620	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1	ZINC001423303189	927022378	/nfs/dbraw/zinc/02/23/78/927022378.db2.gz	NMRJEPOTNHTZCE-UHFFFAOYSA-N	2	0	311.386	-1.224	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]C[C@@H]1CCc2ncnn21	ZINC001423311285	927026180	/nfs/dbraw/zinc/02/61/80/927026180.db2.gz	XLXYHLQREOAZDE-STQMWFEESA-N	2	0	322.413	-1.072	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1	ZINC001423358042	927033374	/nfs/dbraw/zinc/03/33/74/927033374.db2.gz	QUAJPVGVXIXBEB-WDEREUQCSA-N	2	0	313.402	-1.027	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1	ZINC001423358033	927033499	/nfs/dbraw/zinc/03/34/99/927033499.db2.gz	QUAJPVGVXIXBEB-MNOVXSKESA-N	2	0	313.402	-1.027	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001423467454	927065743	/nfs/dbraw/zinc/06/57/43/927065743.db2.gz	IKXYBIAVSVDTJZ-GFCCVEGCSA-N	2	0	300.403	-1.517	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)C1([NH+](C)C)CCC1	ZINC001423471434	927065947	/nfs/dbraw/zinc/06/59/47/927065947.db2.gz	VDBOXFXPIWQEGE-VXGBXAGGSA-N	2	0	312.414	-1.232	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)C1([NH+](C)C)CCC1	ZINC001423471428	927066837	/nfs/dbraw/zinc/06/68/37/927066837.db2.gz	VDBOXFXPIWQEGE-NWDGAFQWSA-N	2	0	312.414	-1.232	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001423487769	927075004	/nfs/dbraw/zinc/07/50/04/927075004.db2.gz	UZNDJFHIVJWUSR-RYUDHWBXSA-N	2	0	300.403	-1.565	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)CC[NH+]1CCCCC1	ZINC001423494987	927076895	/nfs/dbraw/zinc/07/68/95/927076895.db2.gz	LFESSHBDUJNWEG-GFCCVEGCSA-N	2	0	300.403	-1.243	20	0		DAADRP
CNC(=O)[C@H](C)N(C)C[C@H](O)CN(C)C(=O)Cn1ccnc1	ZINC001423542445	927090731	/nfs/dbraw/zinc/09/07/31/927090731.db2.gz	KAQRNMYAJOUUSJ-RYUDHWBXSA-N	2	0	311.386	-1.231	20	0		DAADRP
CNC(=O)C[NH2+]C1CCN(CCNC(=O)CC[NH+](C)C)CC1	ZINC001423991903	927178377	/nfs/dbraw/zinc/17/83/77/927178377.db2.gz	JVXCGHYXMLQAIG-UHFFFAOYSA-N	2	0	313.446	-1.146	20	0		DAADRP
CN1CC[C@H]([NH2+]CCN(CCO)C(=O)[C@H]2CC[N@H+](C)C2)C1=O	ZINC001424049051	927188860	/nfs/dbraw/zinc/18/88/60/927188860.db2.gz	JNDQYBARKHXFLC-STQMWFEESA-N	2	0	312.414	-1.421	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1	ZINC001424244832	927213028	/nfs/dbraw/zinc/21/30/28/927213028.db2.gz	VELAQTGKWMTCNS-STQMWFEESA-N	2	0	312.414	-1.109	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1	ZINC001424244814	927213359	/nfs/dbraw/zinc/21/33/59/927213359.db2.gz	VELAQTGKWMTCNS-CHWSQXEVSA-N	2	0	312.414	-1.109	20	0		DAADRP
C[C@@H]([NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(N)=O	ZINC001424541373	927243149	/nfs/dbraw/zinc/24/31/49/927243149.db2.gz	ATLSLJVHJBKILI-NEPJUHHUSA-N	2	0	312.414	-1.103	20	0		DAADRP
O=C(C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NC1CC1	ZINC001425762428	927433222	/nfs/dbraw/zinc/43/32/22/927433222.db2.gz	WKZYNKICPFPTOI-ZIAGYGMSSA-N	2	0	324.425	-1.327	20	0		DAADRP
CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1	ZINC001425797452	927453363	/nfs/dbraw/zinc/45/33/63/927453363.db2.gz	MHYWJWJVVZQMRM-VXGBXAGGSA-N	2	0	300.403	-1.340	20	0		DAADRP
CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1	ZINC001425797442	927453961	/nfs/dbraw/zinc/45/39/61/927453961.db2.gz	MHYWJWJVVZQMRM-NWDGAFQWSA-N	2	0	300.403	-1.340	20	0		DAADRP
CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1)C(N)=O	ZINC001425809431	927457584	/nfs/dbraw/zinc/45/75/84/927457584.db2.gz	QURJATIIVSSWBF-VXGBXAGGSA-N	2	0	300.403	-1.341	20	0		DAADRP
CC[C@H]([NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1)C(N)=O	ZINC001425809430	927457641	/nfs/dbraw/zinc/45/76/41/927457641.db2.gz	QURJATIIVSSWBF-RYUDHWBXSA-N	2	0	300.403	-1.341	20	0		DAADRP
CNC(=O)C[NH2+][C@H](CO)CNC(=O)CC1CC[NH+](C)CC1	ZINC001425824253	927465968	/nfs/dbraw/zinc/46/59/68/927465968.db2.gz	RRPBZKOCZUBYBK-LBPRGKRZSA-N	2	0	300.403	-1.469	20	0		DAADRP
CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001425826877	927466524	/nfs/dbraw/zinc/46/65/24/927466524.db2.gz	CRQCWTLOQHCVNK-NWDGAFQWSA-N	2	0	300.403	-1.469	20	0		DAADRP
O=C(C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)NC1CC1	ZINC001425836711	927470291	/nfs/dbraw/zinc/47/02/91/927470291.db2.gz	PIWPGBNODBIEGX-LBPRGKRZSA-N	2	0	310.398	-1.573	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](CO)[NH2+]CC(N)=O	ZINC001425854415	927479357	/nfs/dbraw/zinc/47/93/57/927479357.db2.gz	NTNASFFOMZDIBE-GHMZBOCLSA-N	2	0	302.375	-2.493	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](CO)[NH2+]CC(N)=O	ZINC001425854420	927479453	/nfs/dbraw/zinc/47/94/53/927479453.db2.gz	NTNASFFOMZDIBE-QWRGUYRKSA-N	2	0	302.375	-2.493	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)CCC[NH+](C)C	ZINC001426020768	927505268	/nfs/dbraw/zinc/50/52/68/927505268.db2.gz	DEJNUYUCZASOEK-CHWSQXEVSA-N	2	0	314.430	-1.032	20	0		DAADRP
CCN1CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C)C1=O	ZINC001426025450	927508017	/nfs/dbraw/zinc/50/80/17/927508017.db2.gz	JKZYHFNLXUFCGT-QWHCGFSZSA-N	2	0	314.430	-1.032	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]Cc1cnnn1C)C(=O)C12CC[NH+](CC1)C2	ZINC001426033620	927512326	/nfs/dbraw/zinc/51/23/26/927512326.db2.gz	UKMAMDHQZIPMMG-ZDUSSCGKSA-N	2	0	322.413	-1.180	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)COC1CC[NH+](C)CC1	ZINC001426029472	927512389	/nfs/dbraw/zinc/51/23/89/927512389.db2.gz	FXQXNZIQJWYFIJ-LLVKDONJSA-N	2	0	316.402	-2.009	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)C[NH+]1CCCC1	ZINC001426053042	927518265	/nfs/dbraw/zinc/51/82/65/927518265.db2.gz	MSUOTEOHOGCNMZ-STQMWFEESA-N	2	0	312.414	-1.278	20	0		DAADRP
CN(C[C@@H](O)C[N@H+](C)[C@H]1CCNC1=O)C(=O)CCC[NH+](C)C	ZINC001426087613	927529059	/nfs/dbraw/zinc/52/90/59/927529059.db2.gz	UZXMLGOBANQHTK-STQMWFEESA-N	2	0	314.430	-1.032	20	0		DAADRP
CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O	ZINC001426674661	927571590	/nfs/dbraw/zinc/57/15/90/927571590.db2.gz	DLABUYFKOVLGTF-OLZOCXBDSA-N	2	0	314.430	-1.032	20	0		DAADRP
CN(C[C@@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)CC[NH+](C)C	ZINC001428253521	927765625	/nfs/dbraw/zinc/76/56/25/927765625.db2.gz	COQCDQJCFKOXBU-ZDUSSCGKSA-N	2	0	314.430	-1.031	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O	ZINC001428939839	927828949	/nfs/dbraw/zinc/82/89/49/927828949.db2.gz	KROXRYZPZFKCMO-AGIUHOORSA-N	2	0	312.414	-1.280	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1	ZINC001433326404	928217254	/nfs/dbraw/zinc/21/72/54/928217254.db2.gz	ZVARLFDJHQGVDD-CYBMUJFWSA-N	2	0	314.430	-1.127	20	0		DAADRP
COCCN(C)C[C@H](O)C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1	ZINC001434482620	928355899	/nfs/dbraw/zinc/35/58/99/928355899.db2.gz	PYBBGGJMHLTKSU-HBNTYKKESA-N	2	0	302.375	-2.556	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC001436980259	928420602	/nfs/dbraw/zinc/42/06/02/928420602.db2.gz	XECTVZJHUWAMAM-PHIMTYICSA-N	2	0	323.397	-1.225	20	0		DAADRP
C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC(=O)NC(N)=O	ZINC001437165987	928433321	/nfs/dbraw/zinc/43/33/21/928433321.db2.gz	KMKIVQNORXXBOP-JTQLQIEISA-N	2	0	311.386	-1.096	20	0		DAADRP
NC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1	ZINC001437741099	928476174	/nfs/dbraw/zinc/47/61/74/928476174.db2.gz	IKTUHJOUGUBQCF-LLVKDONJSA-N	2	0	311.386	-1.285	20	0		DAADRP
C[C@H]([NH2+]CCN(C)C(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O	ZINC001437835899	928481929	/nfs/dbraw/zinc/48/19/29/928481929.db2.gz	QPWUPCVLEQCEML-NSHDSACASA-N	2	0	310.402	-1.020	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1	ZINC001438717702	928535105	/nfs/dbraw/zinc/53/51/05/928535105.db2.gz	DDZNWBWRCYJESR-NSHDSACASA-N	2	0	313.402	-1.026	20	0		DAADRP
O=C(C[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2)NC1CC1	ZINC001439002157	928570205	/nfs/dbraw/zinc/57/02/05/928570205.db2.gz	OCBZHCZYYHICBK-CYBMUJFWSA-N	2	0	324.425	-1.040	20	0		DAADRP
CC[C@H]([NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O	ZINC001439008600	928571245	/nfs/dbraw/zinc/57/12/45/928571245.db2.gz	YSELWVQFKYJNIK-QWRGUYRKSA-N	2	0	300.403	-1.199	20	0		DAADRP
CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O	ZINC001439008601	928572092	/nfs/dbraw/zinc/57/20/92/928572092.db2.gz	YSELWVQFKYJNIK-WDEREUQCSA-N	2	0	300.403	-1.199	20	0		DAADRP
CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O	ZINC001439008599	928573088	/nfs/dbraw/zinc/57/30/88/928573088.db2.gz	YSELWVQFKYJNIK-MNOVXSKESA-N	2	0	300.403	-1.199	20	0		DAADRP
CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001439043023	928587531	/nfs/dbraw/zinc/58/75/31/928587531.db2.gz	CNUCGCOGSJZKKI-OLZOCXBDSA-N	2	0	324.425	-1.230	20	0		DAADRP
CCN(CC)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001439040768	928588061	/nfs/dbraw/zinc/58/80/61/928588061.db2.gz	FEBYUKOEBWCEHJ-CHWSQXEVSA-N	2	0	314.430	-1.127	20	0		DAADRP
CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001439043024	928588276	/nfs/dbraw/zinc/58/82/76/928588276.db2.gz	CNUCGCOGSJZKKI-QWHCGFSZSA-N	2	0	324.425	-1.230	20	0		DAADRP
CC(C)[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnnn1C)[NH+](C)C	ZINC001439044347	928590906	/nfs/dbraw/zinc/59/09/06/928590906.db2.gz	MJWRAZZBGHZPTA-CHWSQXEVSA-N	2	0	312.418	-1.032	20	0		DAADRP
CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001439046996	928592382	/nfs/dbraw/zinc/59/23/82/928592382.db2.gz	LJLRRIVBGNAMRY-VXGBXAGGSA-N	2	0	310.398	-1.620	20	0		DAADRP
C[C@@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)CC[NH+](C)C	ZINC001439246252	928610366	/nfs/dbraw/zinc/61/03/66/928610366.db2.gz	RAYCHBYHAKVCAE-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1	ZINC001439605519	928635266	/nfs/dbraw/zinc/63/52/66/928635266.db2.gz	SCTPWKJIZZAIAX-NSHDSACASA-N	2	0	323.397	-1.239	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21	ZINC001441319638	928782718	/nfs/dbraw/zinc/78/27/18/928782718.db2.gz	KVPOCEZNYLKGDJ-XDQVBPFNSA-N	2	0	324.425	-1.266	20	0		DAADRP
C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(=O)NC(N)=O	ZINC001441441971	928789082	/nfs/dbraw/zinc/78/90/82/928789082.db2.gz	SMFQVLQMXYKJMH-VLEAKVRGSA-N	2	0	311.386	-1.242	20	0		DAADRP
CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O	ZINC001441626803	928804469	/nfs/dbraw/zinc/80/44/69/928804469.db2.gz	OUYZYCULMGAMQD-SNVBAGLBSA-N	2	0	301.391	-1.040	20	0		DAADRP
CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001441696799	928817908	/nfs/dbraw/zinc/81/79/08/928817908.db2.gz	NIGWAWDYPVPQLN-FRRDWIJNSA-N	2	0	314.430	-1.081	20	0		DAADRP
C[C@H]([NH2+][C@@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O	ZINC001441709822	928831549	/nfs/dbraw/zinc/83/15/49/928831549.db2.gz	HGPHPBYOWHXASH-NWDGAFQWSA-N	2	0	312.414	-1.197	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O	ZINC001441781950	928863523	/nfs/dbraw/zinc/86/35/23/928863523.db2.gz	QCHYZCDJAJJKRP-VXGBXAGGSA-N	2	0	300.403	-1.327	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CCN2CCCC2=O)C1	ZINC001441795144	928865490	/nfs/dbraw/zinc/86/54/90/928865490.db2.gz	OBOGEWYVDFBLDN-QWHCGFSZSA-N	2	0	312.414	-1.373	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]CC(=O)N1CCCC1	ZINC001441789310	928866566	/nfs/dbraw/zinc/86/65/66/928866566.db2.gz	HYXUNAUDYSQTIC-CYBMUJFWSA-N	2	0	312.414	-1.229	20	0		DAADRP
C[C@@H]([NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)C(=O)NC1CC1	ZINC001441784782	928867085	/nfs/dbraw/zinc/86/70/85/928867085.db2.gz	JZRDBJSMIYVPJL-DGCLKSJQSA-N	2	0	324.425	-1.184	20	0		DAADRP
CN1CCC[C@@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)C1=O	ZINC001441797016	928870136	/nfs/dbraw/zinc/87/01/36/928870136.db2.gz	PXIWZDYOJACVNM-CHWSQXEVSA-N	2	0	312.414	-1.230	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001441800042	928870872	/nfs/dbraw/zinc/87/08/72/928870872.db2.gz	ROCGOEUJSGNOFQ-UWVGGRQHSA-N	2	0	315.374	-2.540	20	0		DAADRP
CN1CCC[C@H]([NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)C1=O	ZINC001441797043	928870952	/nfs/dbraw/zinc/87/09/52/928870952.db2.gz	PXIWZDYOJACVNM-STQMWFEESA-N	2	0	312.414	-1.230	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O	ZINC001441827711	928873584	/nfs/dbraw/zinc/87/35/84/928873584.db2.gz	OMSZDNHSQFVYHX-RYUDHWBXSA-N	2	0	300.403	-1.328	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@@H]1CCCN(C)C1=O)C(=O)CC[NH+](C)C	ZINC001442003333	928905284	/nfs/dbraw/zinc/90/52/84/928905284.db2.gz	WOGHJJGSLMHFHH-QWHCGFSZSA-N	2	0	314.430	-1.032	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@@H]1CCCN(C)C1=O)C(=O)CC[NH+](C)C	ZINC001442003328	928905459	/nfs/dbraw/zinc/90/54/59/928905459.db2.gz	WOGHJJGSLMHFHH-CHWSQXEVSA-N	2	0	314.430	-1.032	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001442025908	928907278	/nfs/dbraw/zinc/90/72/78/928907278.db2.gz	AZCTYZOVAULXQW-YPMHNXCESA-N	2	0	312.414	-1.374	20	0		DAADRP
CCC[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O	ZINC001442026540	928910912	/nfs/dbraw/zinc/91/09/12/928910912.db2.gz	UYBPDQYODFTNQF-QWHCGFSZSA-N	2	0	314.430	-1.032	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001442026903	928911809	/nfs/dbraw/zinc/91/18/09/928911809.db2.gz	DJXGRGJHMVGCMS-ZJUUUORDSA-N	2	0	315.374	-2.458	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)C[NH+]1CCCC1	ZINC001442043443	928912557	/nfs/dbraw/zinc/91/25/57/928912557.db2.gz	WWYULSOQAYDCKG-CYBMUJFWSA-N	2	0	312.414	-1.277	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1	ZINC001442120095	928931165	/nfs/dbraw/zinc/93/11/65/928931165.db2.gz	GUNPGETZXPVORO-MNOVXSKESA-N	2	0	311.386	-1.286	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)C[NH+]1CCCC1	ZINC001444125875	929065529	/nfs/dbraw/zinc/06/55/29/929065529.db2.gz	PCCVYFQCFGOETF-OLZOCXBDSA-N	2	0	312.414	-1.230	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)CC[NH+](C)C)CC[N@@H+]1C	ZINC001444194477	929081908	/nfs/dbraw/zinc/08/19/08/929081908.db2.gz	NQOQHVPCJSTDGW-FRRDWIJNSA-N	2	0	314.430	-1.128	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)C[NH+]1CCCC1	ZINC001444200739	929084771	/nfs/dbraw/zinc/08/47/71/929084771.db2.gz	WMXUIFFOTGKLIK-GFCCVEGCSA-N	2	0	300.403	-1.373	20	0		DAADRP
C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)NC(N)=O	ZINC001444391554	929120729	/nfs/dbraw/zinc/12/07/29/929120729.db2.gz	QYQVKIIJMKSKEV-QWRGUYRKSA-N	2	0	313.402	-1.135	20	0		DAADRP
C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001444727645	929149836	/nfs/dbraw/zinc/14/98/36/929149836.db2.gz	NPGHQYCGSDTFEW-WDEREUQCSA-N	2	0	310.402	-1.003	20	0		DAADRP
Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001445216642	929189386	/nfs/dbraw/zinc/18/93/86/929189386.db2.gz	VEZBZUTYGHOJMP-STQMWFEESA-N	2	0	310.402	-1.134	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1	ZINC001445223225	929191690	/nfs/dbraw/zinc/19/16/90/929191690.db2.gz	HQUCKSKBMKLOMQ-CYBMUJFWSA-N	2	0	314.430	-1.081	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1	ZINC001445264876	929204383	/nfs/dbraw/zinc/20/43/83/929204383.db2.gz	GHQVEZGHDLIYMK-NEPJUHHUSA-N	2	0	314.430	-1.081	20	0		DAADRP
Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1=O	ZINC001445267187	929205562	/nfs/dbraw/zinc/20/55/62/929205562.db2.gz	ISKIWPYWTHLXJU-UONOGXRCSA-N	2	0	322.409	-1.096	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1	ZINC001445279588	929211601	/nfs/dbraw/zinc/21/16/01/929211601.db2.gz	ZMJHGFUOUUUFHC-GFCCVEGCSA-N	2	0	300.403	-1.327	20	0		DAADRP
C[C@H]([NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O	ZINC001445278139	929211872	/nfs/dbraw/zinc/21/18/72/929211872.db2.gz	XNLXTUGETSJUSO-UWVGGRQHSA-N	2	0	315.374	-2.268	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1O	ZINC001445527251	929234122	/nfs/dbraw/zinc/23/41/22/929234122.db2.gz	GIZJTCVHFKCHPY-JHJVBQTASA-N	2	0	312.414	-1.422	20	0		DAADRP
C[NH+](C)CCC(=O)N(CCO)CC[NH2+][C@H]1CCCNC1=O	ZINC001447060371	929367811	/nfs/dbraw/zinc/36/78/11/929367811.db2.gz	HDYMQRYFVYKWIP-LBPRGKRZSA-N	2	0	300.403	-1.373	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001447056643	929368282	/nfs/dbraw/zinc/36/82/82/929368282.db2.gz	BXLGRICHUMTOEG-CHWSQXEVSA-N	2	0	314.430	-1.127	20	0		DAADRP
CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)CCO2)C1=O	ZINC001447284340	929380906	/nfs/dbraw/zinc/38/09/06/929380906.db2.gz	BUHUYQMXFMTYQW-CHWSQXEVSA-N	2	0	312.414	-1.014	20	0		DAADRP
C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)NC(N)=O	ZINC001447684546	929405388	/nfs/dbraw/zinc/40/53/88/929405388.db2.gz	PWQHTFICSFYIGR-JTQLQIEISA-N	2	0	311.386	-1.239	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21	ZINC001448442349	929452983	/nfs/dbraw/zinc/45/29/83/929452983.db2.gz	UIRKMSLTLHJDFW-WISYIIOYSA-N	2	0	323.397	-1.431	20	0		DAADRP
CNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001448461740	929455129	/nfs/dbraw/zinc/45/51/29/929455129.db2.gz	ROOLADHEMIVYFM-NWDGAFQWSA-N	2	0	300.403	-1.110	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001448792718	929471873	/nfs/dbraw/zinc/47/18/73/929471873.db2.gz	VRNWIIOBBPAIOM-MNOVXSKESA-N	2	0	313.402	-1.170	20	0		DAADRP
CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001448833562	929485941	/nfs/dbraw/zinc/48/59/41/929485941.db2.gz	CJYXKNHHMBIHAC-OLZOCXBDSA-N	2	0	312.414	-1.469	20	0		DAADRP
CCCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1	ZINC001448887658	929506588	/nfs/dbraw/zinc/50/65/88/929506588.db2.gz	KHAXAAJTJGYVPK-ZDUSSCGKSA-N	2	0	314.430	-1.079	20	0		DAADRP
C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)C[NH+]1CCOCC1	ZINC001448883223	929507053	/nfs/dbraw/zinc/50/70/53/929507053.db2.gz	QHAWBUZUXNGILF-CHWSQXEVSA-N	2	0	317.430	-1.208	20	0		DAADRP
CC(C)[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1)[NH+](C)C	ZINC001448888628	929509688	/nfs/dbraw/zinc/50/96/88/929509688.db2.gz	KRBDMPKNPNUHET-GXTWGEPZSA-N	2	0	314.430	-1.128	20	0		DAADRP
CC(C)[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1)[NH+](C)C	ZINC001448888632	929509868	/nfs/dbraw/zinc/50/98/68/929509868.db2.gz	KRBDMPKNPNUHET-TZMCWYRMSA-N	2	0	314.430	-1.128	20	0		DAADRP
CN(C(=O)C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1)C1CC1	ZINC001448955288	929526059	/nfs/dbraw/zinc/52/60/59/929526059.db2.gz	PFCYXMBWRACYLT-LBPRGKRZSA-N	2	0	312.414	-1.230	20	0		DAADRP
CN(C[C@H](O)CNCc1cnn(C)n1)C(=O)C12CC[NH+](CC1)C2	ZINC001449166360	929557723	/nfs/dbraw/zinc/55/77/23/929557723.db2.gz	WFYMQOCIQMTUBA-CYBMUJFWSA-N	2	0	322.413	-1.180	20	0		DAADRP
CN(C[C@@H](O)CNCc1cnn(C)n1)C(=O)C12CC[NH+](CC1)C2	ZINC001449166361	929558995	/nfs/dbraw/zinc/55/89/95/929558995.db2.gz	WFYMQOCIQMTUBA-ZDUSSCGKSA-N	2	0	322.413	-1.180	20	0		DAADRP
C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1	ZINC001513571822	929641489	/nfs/dbraw/zinc/64/14/89/929641489.db2.gz	MXXWYZOJSBFTGN-OLZOCXBDSA-N	2	0	324.425	-1.278	20	0		DAADRP
C[NH+]1CCN(c2ccc(CNC(=O)CNCC[NH3+])cn2)CC1	ZINC001521504407	929663061	/nfs/dbraw/zinc/66/30/61/929663061.db2.gz	RVMWXLILEWISKV-UHFFFAOYSA-N	2	0	306.414	-1.002	20	0		DAADRP
[NH3+]CCN1CCC[C@@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1=O	ZINC001521540915	929663292	/nfs/dbraw/zinc/66/32/92/929663292.db2.gz	NJOFTFUPMGAXOR-UONOGXRCSA-N	2	0	323.441	-1.310	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O	ZINC001521504477	929663540	/nfs/dbraw/zinc/66/35/40/929663540.db2.gz	VAMNSDODQCNPNO-QWHCGFSZSA-N	2	0	311.430	-1.454	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)N2NC(=O)C[C@@]23CC[NH2+]C3)CC1=O	ZINC001548578756	930030995	/nfs/dbraw/zinc/03/09/95/930030995.db2.gz	MDALBMITDYEIOC-IAQYHMDHSA-N	2	0	323.397	-1.608	20	0		DAADRP
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)CC1=O	ZINC001548572863	930031278	/nfs/dbraw/zinc/03/12/78/930031278.db2.gz	RBNPFFCGXWVFPM-FQUUOJAGSA-N	2	0	324.425	-1.232	20	0		DAADRP
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)CC1=O	ZINC001548572865	930031540	/nfs/dbraw/zinc/03/15/40/930031540.db2.gz	RBNPFFCGXWVFPM-SYQHCUMBSA-N	2	0	324.425	-1.232	20	0		DAADRP
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C	ZINC001548724599	930039324	/nfs/dbraw/zinc/03/93/24/930039324.db2.gz	QHROGHMQMOSPSL-MCIONIFRSA-N	2	0	323.441	-1.047	20	0		DAADRP
C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@@H]1C[NH+]2CCN1CCC2	ZINC001548700839	930039417	/nfs/dbraw/zinc/03/94/17/930039417.db2.gz	DQWFYGLKMJVAOG-KFWWJZLASA-N	2	0	307.442	-1.119	20	0		DAADRP
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C	ZINC001548724603	930039569	/nfs/dbraw/zinc/03/95/69/930039569.db2.gz	QHROGHMQMOSPSL-RDBSUJKOSA-N	2	0	323.441	-1.047	20	0		DAADRP
O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H]2OCC[NH2+][C@H]2C1	ZINC001549045063	930046439	/nfs/dbraw/zinc/04/64/39/930046439.db2.gz	SQTDUKRCKWHBLX-AGIUHOORSA-N	2	0	310.398	-1.166	20	0		DAADRP
CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC3CC2(C[NH3+])C3)nn1	ZINC001549298425	930052038	/nfs/dbraw/zinc/05/20/38/930052038.db2.gz	NGAKEDTUWAWXIA-GBDWCXJYSA-N	2	0	320.397	-1.070	20	0		DAADRP
O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)[C@@H]1C[NH2+]CCOC1	ZINC001549741788	930057956	/nfs/dbraw/zinc/05/79/56/930057956.db2.gz	UIKQPTZSXKXKDI-VNHYZAJKSA-N	2	0	324.425	-1.015	20	0		DAADRP
COC[C@]1(C(=O)N2C[C@H]([NH3+])[C@H](c3cnn(C)c3)C2)C[NH2+]CCO1	ZINC001550066603	930060066	/nfs/dbraw/zinc/06/00/66/930060066.db2.gz	HYVJHVBYFRWKQC-YDHLFZDLSA-N	2	0	323.397	-1.322	20	0		DAADRP
CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3OCC[C@H]3[NH3+])CC2)C1=O	ZINC001550092499	930061333	/nfs/dbraw/zinc/06/13/33/930061333.db2.gz	HCVLVCLLLUNCEV-FRRDWIJNSA-N	2	0	310.398	-1.086	20	0		DAADRP
O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@@]12C[NH2+]C[C@@H]1COC2	ZINC001550086149	930061474	/nfs/dbraw/zinc/06/14/74/930061474.db2.gz	CGHSRUBXQZQGIR-MPKXVKKWSA-N	2	0	306.370	-1.335	20	0		DAADRP
COC[C@]1(C(=O)N2C[C@@H]([NH3+])[C@@H](c3cn(C)cn3)C2)C[NH2+]CCO1	ZINC001550112867	930063224	/nfs/dbraw/zinc/06/32/24/930063224.db2.gz	LMXGSGFOPWSESQ-ZOWXZIJZSA-N	2	0	323.397	-1.322	20	0		DAADRP
C[NH+]1CCN([C@H]2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1	ZINC001550115549	930063488	/nfs/dbraw/zinc/06/34/88/930063488.db2.gz	BETCWOFXGDTPLE-UONOGXRCSA-N	2	0	323.441	-1.297	20	0		DAADRP
CNC(=O)[C@]12C[N@H+](CCC(=O)N3CC[NH2+]CC3)C[C@H]1COCC2	ZINC001551412278	930066915	/nfs/dbraw/zinc/06/69/15/930066915.db2.gz	UUZPEMRMRNMRLO-XJKSGUPXSA-N	2	0	324.425	-1.107	20	0		DAADRP
CNC(=O)[C@]12C[N@H+](CC(=O)N3CC[NH2+]CC3)C[C@H]1COCC2	ZINC001551410449	930067741	/nfs/dbraw/zinc/06/77/41/930067741.db2.gz	QFDNNLBDFOADCZ-SWLSCSKDSA-N	2	0	310.398	-1.497	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N(C)[C@H]2CC[NH2+]C2)nn1	ZINC001552160867	930068405	/nfs/dbraw/zinc/06/84/05/930068405.db2.gz	LCGCXHGVMSUKSR-GMXVVIOVSA-N	2	0	308.386	-1.200	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[C@H]([NH3+])[C@@H]2C)nn1	ZINC001552088581	930068914	/nfs/dbraw/zinc/06/89/14/930068914.db2.gz	UZMXHFNRGULIJW-SRRSOLGSSA-N	2	0	308.386	-1.072	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)nn1	ZINC001552087859	930069112	/nfs/dbraw/zinc/06/91/12/930069112.db2.gz	OWAOTMJRDJHNBZ-MHDGFBEUSA-N	2	0	320.397	-1.200	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)nn1	ZINC001552159253	930069506	/nfs/dbraw/zinc/06/95/06/930069506.db2.gz	VSLIVFMGEPZJAZ-GFQSEFKGSA-N	2	0	320.397	-1.342	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[C@@H]3C[NH2+]C[C@H]32)nn1	ZINC001552087850	930069862	/nfs/dbraw/zinc/06/98/62/930069862.db2.gz	OWAOTMJRDJHNBZ-HBJVGIJOSA-N	2	0	320.397	-1.200	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[NH2+][C@H](C)C2)nn1	ZINC001552163058	930070169	/nfs/dbraw/zinc/07/01/69/930070169.db2.gz	SNYOXFRXPZJVDJ-NQBHXWOUSA-N	2	0	308.386	-1.200	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[NH2+]C[C@@H]2C)nn1	ZINC001552162088	930070485	/nfs/dbraw/zinc/07/04/85/930070485.db2.gz	VOTXISPQXKBMFY-GMXVVIOVSA-N	2	0	308.386	-1.200	20	0		DAADRP
CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N(C)C2CC([NH3+])C2)nn1	ZINC001552163692	930071318	/nfs/dbraw/zinc/07/13/18/930071318.db2.gz	IXQAEMILBYNHDE-KMFOADKKSA-N	2	0	308.386	-1.072	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC[C@H]([NH3+])C2)nn1	ZINC001552162558	930071777	/nfs/dbraw/zinc/07/17/77/930071777.db2.gz	BMWCPJRCDYIUCM-DMDPSCGWSA-N	2	0	308.386	-1.070	20	0		DAADRP
Cc1c(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)nnn1[C@H]1CC[NH2+]C1	ZINC001552442283	930072964	/nfs/dbraw/zinc/07/29/64/930072964.db2.gz	PDAFLFXAYLGJBK-SDDRHHMPSA-N	2	0	306.370	-1.066	20	0		DAADRP
CN(CCN1CC[NH2+]CC1)C(=O)[C@@]12C[NH2+]C[C@@H]1CN(C)CC2	ZINC001553354389	930073924	/nfs/dbraw/zinc/07/39/24/930073924.db2.gz	QPPJEARNQXLNAN-ZBFHGGJFSA-N	2	0	309.458	-1.109	20	0		DAADRP
CN(CCN1CC[NH2+]CC1)C(=O)[C@]12C[NH2+]C[C@H]1CN(C)CC2	ZINC001553354131	930074706	/nfs/dbraw/zinc/07/47/06/930074706.db2.gz	QPPJEARNQXLNAN-GOEBONIOSA-N	2	0	309.458	-1.109	20	0		DAADRP
CNc1nc(N[C@H](C)C[NH+](C)C)nc(N[C@H](C)C[NH+](C)C)n1	ZINC000343807437	545707305	/nfs/dbraw/zinc/70/73/05/545707305.db2.gz	OFKKWZXIRFGYSK-GHMZBOCLSA-N	2	0	310.450	-1.097	20	0		DAADRP
COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[NH+](C)C	ZINC000337070719	291078540	/nfs/dbraw/zinc/07/85/40/291078540.db2.gz	OGPUPJNFBGSDKU-UHFFFAOYSA-N	2	0	300.403	-1.203	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1=O	ZINC000358070118	545739513	/nfs/dbraw/zinc/73/95/13/545739513.db2.gz	UKXNOCBRWLKXKS-DOMZBBRYSA-N	2	0	312.414	-1.421	20	0		DAADRP
CCCC[N@H+](C)CCNC(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000419283609	545765961	/nfs/dbraw/zinc/76/59/61/545765961.db2.gz	JSLFPWPCRCASFI-UHFFFAOYSA-N	2	0	313.446	-1.144	20	0		DAADRP
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH2+]CC2)C1	ZINC000418925994	545765469	/nfs/dbraw/zinc/76/54/69/545765469.db2.gz	QZQQQHLSNPAIGG-CYBMUJFWSA-N	2	0	312.414	-1.109	20	0		DAADRP
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1	ZINC000418914481	545765906	/nfs/dbraw/zinc/76/59/06/545765906.db2.gz	FSUYFIDPNTXOPK-CHWSQXEVSA-N	2	0	312.414	-1.063	20	0		DAADRP
CNc1nc(NC[C@H](C)[NH+](C)C)nc(NC[C@H](C)[NH+](C)C)n1	ZINC000443447281	545779512	/nfs/dbraw/zinc/77/95/12/545779512.db2.gz	RBOWIWCQWQEEKS-QWRGUYRKSA-N	2	0	310.450	-1.097	20	0		DAADRP
C[NH2+]C[C@H](O)CNC[C@@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000565480610	372797108	/nfs/dbraw/zinc/79/71/08/372797108.db2.gz	GMOQONSJWCUIKD-WDEREUQCSA-N	2	0	307.350	-1.187	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1	ZINC000642809421	372833892	/nfs/dbraw/zinc/83/38/92/372833892.db2.gz	QHQBQEBUSOLTBF-LBPRGKRZSA-N	2	0	300.403	-1.061	20	0		DAADRP
CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)[C@@H](C[NH3+])C1	ZINC000583434836	372866493	/nfs/dbraw/zinc/86/64/93/372866493.db2.gz	FSPMACRUXZSQOI-XJKSGUPXSA-N	2	0	323.441	-1.358	20	0		DAADRP
C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@@H](C)[NH+](C)C)[NH+](C)C	ZINC000635957203	372902532	/nfs/dbraw/zinc/90/25/32/372902532.db2.gz	GGASERWPACUWGT-UTUOFQBUSA-N	2	0	302.419	-1.178	20	0		DAADRP
Cc1nnc(CN(C)CC(=O)N2CCN(C)C[C@@H]2C[NH3+])n1C	ZINC000574915681	372919869	/nfs/dbraw/zinc/91/98/69/372919869.db2.gz	UCLBLWBOCWGKEP-LBPRGKRZSA-N	2	0	309.418	-1.343	20	0		DAADRP
COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CNC(=O)[C@@H]([NH3+])C(C)C	ZINC000592557528	372974327	/nfs/dbraw/zinc/97/43/27/372974327.db2.gz	ZHJUVWQRCVJAPL-JQWIXIFHSA-N	2	0	314.386	-1.551	20	0		DAADRP
[NH3+][C@H]1C[C@H]2CN(C(=O)CN3CCCC[C@@H]([NH3+])C3=O)CCN2C1=O	ZINC000594878119	372993125	/nfs/dbraw/zinc/99/31/25/372993125.db2.gz	NCSQZFQBUVHXEP-TUAOUCFPSA-N	2	0	323.397	-1.903	20	0		DAADRP
C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1	ZINC000595993584	373010913	/nfs/dbraw/zinc/01/09/13/373010913.db2.gz	SCVJXMIGDNABPG-UTUOFQBUSA-N	2	0	323.397	-2.081	20	0		DAADRP
COC[C@]1(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCCC[NH2+]1	ZINC000602528636	373064325	/nfs/dbraw/zinc/06/43/25/373064325.db2.gz	SEVFLMYRLAJAFU-HUBLWGQQSA-N	2	0	310.398	-1.085	20	0		DAADRP
COc1cc[nH+]c(N2CCN(C(=O)CNC(=O)C[NH3+])CC2)c1	ZINC000262436288	373156039	/nfs/dbraw/zinc/15/60/39/373156039.db2.gz	TVXHWISLXKGHRN-UHFFFAOYSA-N	2	0	307.354	-1.186	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCNS(C)(=O)=O	ZINC000607230006	373160082	/nfs/dbraw/zinc/16/00/82/373160082.db2.gz	LIIWDNNCFMVKBS-UHFFFAOYSA-N	2	0	323.463	-1.330	20	0		DAADRP
CN(CCC[NH3+])C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000565432618	373125944	/nfs/dbraw/zinc/12/59/44/373125944.db2.gz	VXQVRUVQFYJHKV-UHFFFAOYSA-N	2	0	313.446	-1.064	20	0		DAADRP
CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1	ZINC000263260510	373144010	/nfs/dbraw/zinc/14/40/10/373144010.db2.gz	SIPMLFTVYXEXHV-BZPMIXESSA-N	2	0	314.430	-1.001	20	0		DAADRP
COCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1	ZINC000263254982	373145244	/nfs/dbraw/zinc/14/52/44/373145244.db2.gz	QKBUVBMFDGUJEJ-YPMHNXCESA-N	2	0	300.403	-1.077	20	0		DAADRP
[NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000637813065	373183523	/nfs/dbraw/zinc/18/35/23/373183523.db2.gz	IYOUSIOOBOAGSZ-UPJWGTAASA-N	2	0	310.398	-1.227	20	0		DAADRP
C[NH+](C)CCn1cc(C(=O)NCC(=O)N2CC[NH2+]CC2)cn1	ZINC000637813270	373183936	/nfs/dbraw/zinc/18/39/36/373183936.db2.gz	OKVFBVBRLYHRLH-UHFFFAOYSA-N	2	0	308.386	-1.394	20	0		DAADRP
O[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3C[C@H](O)[C@@H](O)C3)c2)C[C@@H]1O	ZINC000278628859	373189350	/nfs/dbraw/zinc/18/93/50/373189350.db2.gz	GHISCPQVHGOBRV-YHUYYLMFSA-N	2	0	308.378	-1.239	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1	ZINC000419355013	373319495	/nfs/dbraw/zinc/31/94/95/373319495.db2.gz	LRCLVYCYACUQLA-VXGBXAGGSA-N	2	0	300.403	-1.110	20	0		DAADRP
COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1	ZINC000567111345	373319792	/nfs/dbraw/zinc/31/97/92/373319792.db2.gz	WNTUUNLPJXJSSM-NSHDSACASA-N	2	0	314.386	-1.547	20	0		DAADRP
COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1	ZINC000419448975	373321224	/nfs/dbraw/zinc/32/12/24/373321224.db2.gz	JOOPQKMDWDESGL-GFCCVEGCSA-N	2	0	300.403	-1.061	20	0		DAADRP
NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[NH+]2CCN1CCC2	ZINC000628584846	373374680	/nfs/dbraw/zinc/37/46/80/373374680.db2.gz	MATXCLKJRLTJLO-UONOGXRCSA-N	2	0	323.441	-1.168	20	0		DAADRP
CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000629817196	373413769	/nfs/dbraw/zinc/41/37/69/373413769.db2.gz	ZXTKLBMTVDPAKU-BFHYXJOUSA-N	2	0	324.425	-1.280	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000629820097	373414198	/nfs/dbraw/zinc/41/41/98/373414198.db2.gz	WNTKHUPAYZSTCX-ZDUSSCGKSA-N	2	0	310.398	-1.107	20	0		DAADRP
NS(=O)(=O)CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000641797267	373427010	/nfs/dbraw/zinc/42/70/10/373427010.db2.gz	ZVMMZQOPOPZSPS-LBPRGKRZSA-N	2	0	318.443	-1.191	20	0		DAADRP
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])C1	ZINC000642222690	373440015	/nfs/dbraw/zinc/44/00/15/373440015.db2.gz	VZJKANLVHYZVSS-NEPJUHHUSA-N	2	0	300.403	-1.077	20	0		DAADRP
COCC[NH2+]CCNS(=O)(=O)CCCN1CC[NH+](C)CC1	ZINC000631933123	373440723	/nfs/dbraw/zinc/44/07/23/373440723.db2.gz	BUDFOCAAPJHABV-UHFFFAOYSA-N	2	0	322.475	-1.221	20	0		DAADRP
C[NH2+]C[C@@H](C)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000627120731	373453810	/nfs/dbraw/zinc/45/38/10/373453810.db2.gz	TVDMTUQVMHMPKM-GFCCVEGCSA-N	2	0	312.418	-1.053	20	0		DAADRP
[NH3+]CCCOCCNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1	ZINC000627219297	373461872	/nfs/dbraw/zinc/46/18/72/373461872.db2.gz	ULGXGEFHHBJCEE-LBPRGKRZSA-N	2	0	315.418	-1.152	20	0		DAADRP
CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+]	ZINC000566091943	373524024	/nfs/dbraw/zinc/52/40/24/373524024.db2.gz	VLFDFFRUOGOVJO-ZDUSSCGKSA-N	2	0	311.430	-1.358	20	0		DAADRP
CC[NH+]1CCC(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1	ZINC000578884359	373586305	/nfs/dbraw/zinc/58/63/05/373586305.db2.gz	LMIKOTFGWYIIKS-KBPBESRZSA-N	2	0	323.441	-1.169	20	0		DAADRP
C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)C[C@@H]1C	ZINC000579091448	373587603	/nfs/dbraw/zinc/58/76/03/373587603.db2.gz	VQCOYLIIHAFZDI-IHRRRGAJSA-N	2	0	313.446	-1.014	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC000580891253	373597325	/nfs/dbraw/zinc/59/73/25/373597325.db2.gz	IRKGOIAVIBRRII-OLZOCXBDSA-N	2	0	309.414	-1.639	20	0		DAADRP
O=C(NC1C[NH2+]C1)C(=O)N1CC[NH+](CC2CCOCC2)CC1	ZINC000573906260	373555636	/nfs/dbraw/zinc/55/56/36/373555636.db2.gz	DCUYVDUADXSVCU-UHFFFAOYSA-N	2	0	310.398	-1.355	20	0		DAADRP
COC[C@]1(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)CC[NH2+]C1	ZINC000573719645	373555665	/nfs/dbraw/zinc/55/56/65/373555665.db2.gz	YHUHTUDWGSNGOA-ZDUSSCGKSA-N	2	0	309.374	-1.221	20	0		DAADRP
COC[C@@]1(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)CC[NH2+]C1	ZINC000573719638	373556017	/nfs/dbraw/zinc/55/60/17/373556017.db2.gz	YHUHTUDWGSNGOA-CYBMUJFWSA-N	2	0	309.374	-1.221	20	0		DAADRP
O=C(CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CC[NH2+]CC1	ZINC000574518044	373562552	/nfs/dbraw/zinc/56/25/52/373562552.db2.gz	RIISBYBGPKJKOX-CYBMUJFWSA-N	2	0	320.397	-1.031	20	0		DAADRP
C[C@@H]1COCCN1CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1	ZINC000580552845	373569470	/nfs/dbraw/zinc/56/94/70/373569470.db2.gz	CCRUKTMSNAOUFN-CABCVRRESA-N	2	0	300.447	-1.095	20	0		DAADRP
CCOC(=O)C[C@H](CO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1	ZINC000576943251	373570885	/nfs/dbraw/zinc/57/08/85/373570885.db2.gz	DEQDFDGNKBJQQQ-CHWSQXEVSA-N	2	0	303.403	-1.502	20	0		DAADRP
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+]	ZINC000577208871	373574141	/nfs/dbraw/zinc/57/41/41/373574141.db2.gz	PIXGXNMWVBFHPE-XBFCOCLRSA-N	2	0	323.441	-1.313	20	0		DAADRP
C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1	ZINC000627308385	373643460	/nfs/dbraw/zinc/64/34/60/373643460.db2.gz	OJMBEENARAWTHN-CHWSQXEVSA-N	2	0	312.414	-1.061	20	0		DAADRP
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C	ZINC000627312703	373644121	/nfs/dbraw/zinc/64/41/21/373644121.db2.gz	GIQVCLDUAUDIPR-RWMBFGLXSA-N	2	0	311.430	-1.395	20	0		DAADRP
C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1	ZINC000627308388	373644224	/nfs/dbraw/zinc/64/42/24/373644224.db2.gz	OJMBEENARAWTHN-STQMWFEESA-N	2	0	312.414	-1.061	20	0		DAADRP
C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)C2)CC1	ZINC000627313796	373646834	/nfs/dbraw/zinc/64/68/34/373646834.db2.gz	MVZQYYQAEFHURS-CHWSQXEVSA-N	2	0	323.441	-1.251	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)NCC1([NH+](C)C)CCC1	ZINC000627341344	373650803	/nfs/dbraw/zinc/65/08/03/373650803.db2.gz	GQYXMOXGSHJRDX-UHFFFAOYSA-N	2	0	300.403	-1.061	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1	ZINC000627352902	373655519	/nfs/dbraw/zinc/65/55/19/373655519.db2.gz	LXYRDCJLLXFAMY-NWDGAFQWSA-N	2	0	300.403	-1.063	20	0		DAADRP
O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC000580891250	373597651	/nfs/dbraw/zinc/59/76/51/373597651.db2.gz	IRKGOIAVIBRRII-CHWSQXEVSA-N	2	0	309.414	-1.639	20	0		DAADRP
Cn1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1	ZINC000580906519	373597812	/nfs/dbraw/zinc/59/78/12/373597812.db2.gz	AUPLAZHDTTZJSY-UHFFFAOYSA-N	2	0	311.390	-1.295	20	0		DAADRP
C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CCO1	ZINC000581653034	373601875	/nfs/dbraw/zinc/60/18/75/373601875.db2.gz	CKUMHGCBVFAIHP-BFHYXJOUSA-N	2	0	324.425	-1.062	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1	ZINC000581665818	373602217	/nfs/dbraw/zinc/60/22/17/373602217.db2.gz	INNAUWXXBBRAAB-LBPRGKRZSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C[N@@H+]1C1CC1	ZINC000627349166	373656057	/nfs/dbraw/zinc/65/60/57/373656057.db2.gz	FGNKRGVBPFJLPP-IJLUTSLNSA-N	2	0	310.398	-1.168	20	0		DAADRP
Nc1nc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)nc(N)[nH+]1	ZINC000623937478	373661043	/nfs/dbraw/zinc/66/10/43/373661043.db2.gz	ILCRPLNQYUELGA-UHFFFAOYSA-N	2	0	306.374	-1.559	20	0		DAADRP
CC1CC[NH+](CCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1	ZINC000627357749	373670249	/nfs/dbraw/zinc/67/02/49/373670249.db2.gz	PBYCUXIWSSOVHH-ZDUSSCGKSA-N	2	0	312.414	-1.061	20	0		DAADRP
O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1	ZINC000627380814	373671157	/nfs/dbraw/zinc/67/11/57/373671157.db2.gz	ZLTIHCKXVLWJBQ-CHWSQXEVSA-N	2	0	310.398	-1.309	20	0		DAADRP
CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCOCC[NH2+]C)C1	ZINC000627428601	373675642	/nfs/dbraw/zinc/67/56/42/373675642.db2.gz	JLZSZCWVZPINGD-LBPRGKRZSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000627461360	373677546	/nfs/dbraw/zinc/67/75/46/373677546.db2.gz	NJLHVHDJRFEADJ-NWDGAFQWSA-N	2	0	314.386	-2.384	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21	ZINC000627464022	373679149	/nfs/dbraw/zinc/67/91/49/373679149.db2.gz	PDKMLFPQNIZJHE-CHWSQXEVSA-N	2	0	312.414	-1.109	20	0		DAADRP
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC000627470475	373681539	/nfs/dbraw/zinc/68/15/39/373681539.db2.gz	STSVUYKEGFHSFI-QWHCGFSZSA-N	2	0	312.414	-1.109	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC000627470108	373682903	/nfs/dbraw/zinc/68/29/03/373682903.db2.gz	LOOSBYRNMVHDHX-GFCCVEGCSA-N	2	0	316.402	-1.872	20	0		DAADRP
CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC000627475487	373684716	/nfs/dbraw/zinc/68/47/16/373684716.db2.gz	NQINQONBEFVSHR-GFCCVEGCSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)C1	ZINC000627504370	373688914	/nfs/dbraw/zinc/68/89/14/373688914.db2.gz	KTYJMACHAKPSNA-KGLIPLIRSA-N	2	0	323.441	-1.297	20	0		DAADRP
C[NH+](C)CCCS(=O)(=O)N1CCN(CC[NH+](C)C)C(=O)C1	ZINC000632508630	373719104	/nfs/dbraw/zinc/71/91/04/373719104.db2.gz	JOKGDXZFXVNVOR-UHFFFAOYSA-N	2	0	320.459	-1.026	20	0		DAADRP
CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)CCC[NH+](C)C	ZINC000631901668	373698211	/nfs/dbraw/zinc/69/82/11/373698211.db2.gz	KWQPNSSVFNFCNN-UHFFFAOYSA-N	2	0	306.432	-1.369	20	0		DAADRP
COCCC[N@H+](C)CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1	ZINC000631923558	373701781	/nfs/dbraw/zinc/70/17/81/373701781.db2.gz	VZOQWMAGZPICHK-LBPRGKRZSA-N	2	0	309.432	-1.138	20	0		DAADRP
C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1	ZINC000631939106	373703299	/nfs/dbraw/zinc/70/32/99/373703299.db2.gz	SXJVRLKIXYCJQX-ITGUQSILSA-N	2	0	302.444	-1.239	20	0		DAADRP
CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000649365963	545803165	/nfs/dbraw/zinc/80/31/65/545803165.db2.gz	AAFGZQQLFFMEHU-OLZOCXBDSA-N	2	0	311.430	-1.584	20	0		DAADRP
C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656305032	545819180	/nfs/dbraw/zinc/81/91/80/545819180.db2.gz	NNIYTTCHZRLXDQ-RWMBFGLXSA-N	2	0	312.414	-1.280	20	0		DAADRP
O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1	ZINC000627380816	545829375	/nfs/dbraw/zinc/82/93/75/545829375.db2.gz	ZLTIHCKXVLWJBQ-QWHCGFSZSA-N	2	0	310.398	-1.309	20	0		DAADRP
CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC000627395912	545830960	/nfs/dbraw/zinc/83/09/60/545830960.db2.gz	ZECRRIFFKCNEBO-NEPJUHHUSA-N	2	0	300.403	-1.063	20	0		DAADRP
NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1	ZINC000653114776	409328956	/nfs/dbraw/zinc/32/89/56/409328956.db2.gz	WGLFCCFVSOAYFE-WWGRRREGSA-N	2	0	324.425	-1.074	20	0		DAADRP
[NH3+][C@@H]1CCCCN(CC(=O)NCC(=O)N2CC[NH2+]CC2)C1=O	ZINC000647689836	409370740	/nfs/dbraw/zinc/37/07/40/409370740.db2.gz	BNNYSBULKWFXDH-LLVKDONJSA-N	2	0	311.386	-2.126	20	0		DAADRP
CCN1C(=O)[C@@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)CCN2C1=O	ZINC000647891557	409401553	/nfs/dbraw/zinc/40/15/53/409401553.db2.gz	PVUGWONISFOYJK-LBPRGKRZSA-N	2	0	323.397	-1.223	20	0		DAADRP
C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1=O	ZINC000652734543	409407696	/nfs/dbraw/zinc/40/76/96/409407696.db2.gz	OGEPPRRXLJWRBN-AWEZNQCLSA-N	2	0	323.441	-1.391	20	0		DAADRP
C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCN2CC[NH2+]CC2)C[C@H]1C	ZINC000333733139	409467059	/nfs/dbraw/zinc/46/70/59/409467059.db2.gz	WLQKLGMVCWXBBL-ZIAGYGMSSA-N	2	0	313.446	-1.012	20	0		DAADRP
C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C	ZINC000355302977	409483990	/nfs/dbraw/zinc/48/39/90/409483990.db2.gz	WJFUPJGWFHHDRD-QWHCGFSZSA-N	2	0	313.446	-1.195	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)N2CCC(O)(C[NH3+])CC2)CC1=O	ZINC000515302134	409557663	/nfs/dbraw/zinc/55/76/63/409557663.db2.gz	KTNMKDGZAQHHDV-LBPRGKRZSA-N	2	0	312.414	-1.291	20	0		DAADRP
CC(C)Nc1nc(NC[C@H]2C[NH2+]CCN2C)nc(NCCO)[nH+]1	ZINC000420269084	409537399	/nfs/dbraw/zinc/53/73/99/409537399.db2.gz	ICXHJZUETCKJGT-LLVKDONJSA-N	2	0	324.433	-2.323	20	0		DAADRP
Cn1c2ncn(CC[N@H+](C)C3CC([NH3+])C3)c2c(=O)n(C)c1=O	ZINC000420331903	409537486	/nfs/dbraw/zinc/53/74/86/409537486.db2.gz	MVHDBDMWLWVELQ-UHFFFAOYSA-N	2	0	306.370	-1.145	20	0		DAADRP
CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH2+]CCOC	ZINC000420188270	409541374	/nfs/dbraw/zinc/54/13/74/409541374.db2.gz	SSAGWSINUAFONY-LBPRGKRZSA-N	2	0	300.403	-1.061	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1	ZINC000423262945	409547070	/nfs/dbraw/zinc/54/70/70/409547070.db2.gz	NWKXQDVGWWODGB-LBPRGKRZSA-N	2	0	316.402	-1.791	20	0		DAADRP
CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1	ZINC000514824372	409553372	/nfs/dbraw/zinc/55/33/72/409553372.db2.gz	DYYOMTOAVIXOSS-CQSZACIVSA-N	2	0	323.441	-1.144	20	0		DAADRP
[NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1	ZINC000430600651	409571450	/nfs/dbraw/zinc/57/14/50/409571450.db2.gz	BRAOTTRHIWEDJF-NSHDSACASA-N	2	0	311.386	-2.268	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000659742131	409698409	/nfs/dbraw/zinc/69/84/09/409698409.db2.gz	QXKYMGBJZMUSFG-UHFFFAOYSA-N	2	0	312.414	-1.109	20	0		DAADRP
COCC[N@H+](C)C[C@H](O)CN1CC[NH+](C)C[C@H](C(=O)OC)C1	ZINC000568998307	409659599	/nfs/dbraw/zinc/65/95/99/409659599.db2.gz	TYTKNJPQSYOEHY-KBPBESRZSA-N	2	0	317.430	-1.038	20	0		DAADRP
COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](C)C[C@@H](C(=O)OC)C1	ZINC000568998310	409660006	/nfs/dbraw/zinc/66/00/06/409660006.db2.gz	TYTKNJPQSYOEHY-ZIAGYGMSSA-N	2	0	317.430	-1.038	20	0		DAADRP
CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)[C@H](C[NH3+])C1	ZINC000576348632	409660179	/nfs/dbraw/zinc/66/01/79/409660179.db2.gz	DSFMAXKRQJPXBJ-QWHCGFSZSA-N	2	0	311.430	-1.502	20	0		DAADRP
C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1(C)C	ZINC000581500408	409667563	/nfs/dbraw/zinc/66/75/63/409667563.db2.gz	QZDYONFLGKVKMS-LBPRGKRZSA-N	2	0	311.430	-1.393	20	0		DAADRP
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[NH2+]CCO1	ZINC000659551861	409684417	/nfs/dbraw/zinc/68/44/17/409684417.db2.gz	CIOIWFZJAJNAMO-LBPRGKRZSA-N	2	0	315.418	-1.364	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](O)C1	ZINC000659318558	409685655	/nfs/dbraw/zinc/68/56/55/409685655.db2.gz	GEAVSGOBFPOOHP-CYBMUJFWSA-N	2	0	314.430	-1.079	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCCC1	ZINC000659682218	409688978	/nfs/dbraw/zinc/68/89/78/409688978.db2.gz	HRHKBCXWSKFLCN-LBPRGKRZSA-N	2	0	311.430	-1.264	20	0		DAADRP
COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1	ZINC000659704971	409689014	/nfs/dbraw/zinc/68/90/14/409689014.db2.gz	UGWLTVYQFAETHN-VXGBXAGGSA-N	2	0	318.393	-1.031	20	0		DAADRP
C[NH+](C)[C@H]1CN(C(=O)NC2CC[NH+](CCO)CC2)C[C@@H]1O	ZINC000664065924	409729523	/nfs/dbraw/zinc/72/95/23/409729523.db2.gz	PADIJOSEUZWFCA-STQMWFEESA-N	2	0	300.403	-1.241	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)N2CCOC3(C[NH2+]C3)C2)CC1=O	ZINC000664724508	409732752	/nfs/dbraw/zinc/73/27/52/409732752.db2.gz	JLJUTXQCFIWPFR-LBPRGKRZSA-N	2	0	310.398	-1.403	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)N2CCOC3(C[NH2+]C3)C2)CC1=O	ZINC000664724507	409732906	/nfs/dbraw/zinc/73/29/06/409732906.db2.gz	JLJUTXQCFIWPFR-GFCCVEGCSA-N	2	0	310.398	-1.403	20	0		DAADRP
O=C(NC[C@@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1)[C@@H]1CCC[NH2+]1	ZINC000662760962	409717193	/nfs/dbraw/zinc/71/71/93/409717193.db2.gz	JMDBBWNCSHDNID-RYUDHWBXSA-N	2	0	310.398	-1.573	20	0		DAADRP
O=C(NC[C@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1)[C@H]1CCC[NH2+]1	ZINC000662760963	409718111	/nfs/dbraw/zinc/71/81/11/409718111.db2.gz	JMDBBWNCSHDNID-VXGBXAGGSA-N	2	0	310.398	-1.573	20	0		DAADRP
C[NH+]1CCN(c2ncccc2CNC(=O)C2(O)C[NH2+]C2)CC1	ZINC000662757249	409718180	/nfs/dbraw/zinc/71/81/80/409718180.db2.gz	LRFTXMYUEGZYDQ-UHFFFAOYSA-N	2	0	305.382	-1.216	20	0		DAADRP
COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1	ZINC001193961519	782022382	/nfs/dbraw/zinc/02/23/82/782022382.db2.gz	SXODHOSFOBTYGD-SYQHCUMBSA-N	2	0	317.430	-1.259	20	0		DAADRP
CC[C@H](C(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1O)[NH+](C)C	ZINC001194095805	782028977	/nfs/dbraw/zinc/02/89/77/782028977.db2.gz	RDGSAXKRDXQRSG-UMSGYPCISA-N	2	0	303.403	-1.505	20	0		DAADRP
CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000430670987	262627664	/nfs/dbraw/zinc/62/76/64/262627664.db2.gz	WWCAIRPFMLWEPS-LLVKDONJSA-N	2	0	311.386	-1.414	20	0		DAADRP
CN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)[C@H](C[NH3+])C1	ZINC000518514738	262658243	/nfs/dbraw/zinc/65/82/43/262658243.db2.gz	PUOKOBRTFUXBNG-CHWSQXEVSA-N	2	0	311.430	-1.360	20	0		DAADRP
CN(C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1C[NH2+]C[C@@H]1O	ZINC000419135595	263219095	/nfs/dbraw/zinc/21/90/95/263219095.db2.gz	LRJDNBMZFBVSRE-NDBYEHHHSA-N	2	0	312.414	-1.234	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](N2CCNCC2=O)C1	ZINC000362828022	263221126	/nfs/dbraw/zinc/22/11/26/263221126.db2.gz	VKTJWZRTAQHPQB-GHMZBOCLSA-N	2	0	311.386	-1.273	20	0		DAADRP
C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)C1	ZINC000423618340	263221644	/nfs/dbraw/zinc/22/16/44/263221644.db2.gz	YOMBOOQXDVMECT-FRRDWIJNSA-N	2	0	312.414	-1.280	20	0		DAADRP
C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1	ZINC000262556206	263222071	/nfs/dbraw/zinc/22/20/71/263222071.db2.gz	UZVSIDGLBPNFBL-MCIONIFRSA-N	2	0	324.425	-1.136	20	0		DAADRP
CC[C@H](C)[C@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1	ZINC000424040114	263224805	/nfs/dbraw/zinc/22/48/05/263224805.db2.gz	LBCRZMMHKBIQKE-JQWIXIFHSA-N	2	0	318.443	-1.194	20	0		DAADRP
C[C@@H](NC(=O)C(=O)NCC(F)(F)CN)[C@@H](C)N1CCOCC1	ZINC000419683314	263224881	/nfs/dbraw/zinc/22/48/81/263224881.db2.gz	KKCJJKKYHMCFQR-NXEZZACHSA-N	2	0	322.356	-1.078	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](CO)CN1CCOCC1	ZINC000347663814	263225266	/nfs/dbraw/zinc/22/52/66/263225266.db2.gz	NGSVOZYBGBLFEP-KGLIPLIRSA-N	2	0	315.414	-1.236	20	0		DAADRP
C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C[N@@H+]1C1CC1	ZINC000516434824	263229796	/nfs/dbraw/zinc/22/97/96/263229796.db2.gz	PMAXWOCXCXDDAC-MBNYWOFBSA-N	2	0	323.441	-1.171	20	0		DAADRP
COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C	ZINC000419454723	263234390	/nfs/dbraw/zinc/23/43/90/263234390.db2.gz	UXCAVQKCSAZAKD-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1	ZINC000430643577	263234844	/nfs/dbraw/zinc/23/48/44/263234844.db2.gz	XFNFNPGJJBBQHJ-NSHDSACASA-N	2	0	306.432	-1.287	20	0		DAADRP
CN(C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)[C@H]1C[NH2+]C[C@@H]1O	ZINC000331403247	263235595	/nfs/dbraw/zinc/23/55/95/263235595.db2.gz	MTJGACNIZLBZRE-KBPBESRZSA-N	2	0	324.425	-1.136	20	0		DAADRP
CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)CC(C)(C)C[NH3+]	ZINC000420295431	263244553	/nfs/dbraw/zinc/24/45/53/263244553.db2.gz	VNTGDZHIQKQHHC-UHFFFAOYSA-N	2	0	311.386	-1.234	20	0		DAADRP
CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1	ZINC000262022850	263244825	/nfs/dbraw/zinc/24/48/25/263244825.db2.gz	GIBVIMCAYSPNLD-LBPRGKRZSA-N	2	0	318.443	-1.178	20	0		DAADRP
C[C@H](O)CN1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1	ZINC000423605954	263251447	/nfs/dbraw/zinc/25/14/47/263251447.db2.gz	JTJWIBHZFTYQKX-LBPRGKRZSA-N	2	0	314.430	-1.045	20	0		DAADRP
CCN1CCO[C@H](C(=O)NC[C@@](C)(O)CN2CCOCC2)C1	ZINC000354511003	263263198	/nfs/dbraw/zinc/26/31/98/263263198.db2.gz	OUWKZVXSPQFJIX-DZGCQCFKSA-N	2	0	315.414	-1.094	20	0		DAADRP
CC[C@@H]([NH3+])CNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1	ZINC000332033841	263264949	/nfs/dbraw/zinc/26/49/49/263264949.db2.gz	WKZIUFSTDQELFM-SNVBAGLBSA-N	2	0	319.431	-1.648	20	0		DAADRP
C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1	ZINC000419417092	263275110	/nfs/dbraw/zinc/27/51/10/263275110.db2.gz	WPGYYAVIWRZSKK-STQMWFEESA-N	2	0	312.414	-1.061	20	0		DAADRP
C[C@@H](CC[NH3+])NC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1	ZINC000331921369	263275747	/nfs/dbraw/zinc/27/57/47/263275747.db2.gz	CIMVLVSHOSSBQK-JTQLQIEISA-N	2	0	319.431	-1.648	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C	ZINC000419358943	263279565	/nfs/dbraw/zinc/27/95/65/263279565.db2.gz	QCGZUINDYYYGIS-NWDGAFQWSA-N	2	0	300.403	-1.110	20	0		DAADRP
C[NH+](C)CCNC(=O)[C@H]1CC[C@H](C(=O)NCC[NH+](C)C)O1	ZINC000187303909	263282089	/nfs/dbraw/zinc/28/20/89/263282089.db2.gz	KNKJUGCXPPCQNC-VXGBXAGGSA-N	2	0	300.403	-1.110	20	0		DAADRP
O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1	ZINC000238095790	263283578	/nfs/dbraw/zinc/28/35/78/263283578.db2.gz	NBSDMCLMCVBJFE-QWHCGFSZSA-N	2	0	310.398	-1.524	20	0		DAADRP
O=C([C@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1)N1CC[NH2+]CC1	ZINC000430651304	263289791	/nfs/dbraw/zinc/28/97/91/263289791.db2.gz	LLFFTKXESQRFCY-LBPRGKRZSA-N	2	0	323.397	-1.318	20	0		DAADRP
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1	ZINC000479289179	263293874	/nfs/dbraw/zinc/29/38/74/263293874.db2.gz	WCFORBFNTCSUGC-JHJVBQTASA-N	2	0	312.414	-1.232	20	0		DAADRP
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000418944307	263300416	/nfs/dbraw/zinc/30/04/16/263300416.db2.gz	MFYLECSHDAGSKR-CYBMUJFWSA-N	2	0	313.446	-1.146	20	0		DAADRP
Cn1c2ncn(CC[NH2+]CC3([NH3+])CCC3)c2c(=O)n(C)c1=O	ZINC000342120965	263303621	/nfs/dbraw/zinc/30/36/21/263303621.db2.gz	ARRCLAMVBPWGKX-UHFFFAOYSA-N	2	0	306.370	-1.095	20	0		DAADRP
CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1	ZINC000420189850	263306536	/nfs/dbraw/zinc/30/65/36/263306536.db2.gz	FCUOYBXNQLJTKJ-STQMWFEESA-N	2	0	312.414	-1.110	20	0		DAADRP
CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)CC(=O)N2CC[NH2+]CC2)C1	ZINC000422750462	263310280	/nfs/dbraw/zinc/31/02/80/263310280.db2.gz	AYQCPMURDUIWAZ-ZDUSSCGKSA-N	2	0	312.414	-1.014	20	0		DAADRP
C[C@H](O)C[N@@H+]1CCN(C(=O)NCCN2CC[NH2+]CC2)C[C@@H]1C	ZINC000333733136	263310896	/nfs/dbraw/zinc/31/08/96/263310896.db2.gz	WLQKLGMVCWXBBL-KBPBESRZSA-N	2	0	313.446	-1.012	20	0		DAADRP
CN(C)C(=O)CN1CCC(NC(=O)[C@@H]2CN(C)CCO2)CC1	ZINC000408271994	263315917	/nfs/dbraw/zinc/31/59/17/263315917.db2.gz	VOUPGTHFOKHSLL-ZDUSSCGKSA-N	2	0	312.414	-1.014	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCNS(C)(=O)=O	ZINC000531357672	263316569	/nfs/dbraw/zinc/31/65/69/263316569.db2.gz	UBGAFJYABAJJAV-UHFFFAOYSA-N	2	0	308.448	-1.123	20	0		DAADRP
O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1C[NH2+]CCO1	ZINC000261866386	263317193	/nfs/dbraw/zinc/31/71/93/263317193.db2.gz	NRPUDDXJVUCJAG-ZJUUUORDSA-N	2	0	310.320	-1.073	20	0		DAADRP
CCOCCN1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1	ZINC000423606114	263318377	/nfs/dbraw/zinc/31/83/77/263318377.db2.gz	KTZICTTYIKUAJL-CYBMUJFWSA-N	2	0	312.414	-1.013	20	0		DAADRP
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCNCC2=O)C1	ZINC000516177398	263318535	/nfs/dbraw/zinc/31/85/35/263318535.db2.gz	JHAKUVCVXUJOFU-CYBMUJFWSA-N	2	0	312.414	-1.109	20	0		DAADRP
CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1	ZINC000262022849	263321108	/nfs/dbraw/zinc/32/11/08/263321108.db2.gz	GIBVIMCAYSPNLD-GFCCVEGCSA-N	2	0	318.443	-1.178	20	0		DAADRP
O=C(COC1C[NH2+]C1)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000430870890	263323430	/nfs/dbraw/zinc/32/34/30/263323430.db2.gz	WDPPRNBBLZTYLK-UHFFFAOYSA-N	2	0	310.398	-1.259	20	0		DAADRP
COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1	ZINC001195859208	782084192	/nfs/dbraw/zinc/08/41/92/782084192.db2.gz	GGJYRMXZGYJALF-CHWSQXEVSA-N	2	0	303.403	-1.238	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H]1[NH3+]	ZINC000568869579	331809280	/nfs/dbraw/zinc/80/92/80/331809280.db2.gz	VEBWWYYLKHMBMX-CHWSQXEVSA-N	3	0	313.446	-1.256	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cc[nH]n1	ZINC000559288085	332016628	/nfs/dbraw/zinc/01/66/28/332016628.db2.gz	ONMMZNDFHVCBIV-UHFFFAOYSA-N	2	0	310.402	-1.022	20	0		DAADRP
CCNS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1	ZINC000578893030	332395429	/nfs/dbraw/zinc/39/54/29/332395429.db2.gz	PWYFFQSJROZUCA-GFCCVEGCSA-N	2	0	318.443	-1.178	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)CC1=O	ZINC000571332104	333751077	/nfs/dbraw/zinc/75/10/77/333751077.db2.gz	WDVHLLFVRIQOIX-HZSPNIEDSA-N	2	0	324.425	-1.014	20	0		DAADRP
CC[C@@H](C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1O)[NH+](C)C	ZINC001196268306	782096388	/nfs/dbraw/zinc/09/63/88/782096388.db2.gz	RDGSAXKRDXQRSG-FVCCEPFGSA-N	2	0	303.403	-1.505	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1	ZINC000582253067	336395463	/nfs/dbraw/zinc/39/54/63/336395463.db2.gz	BWXPXRJUZDSPBD-VXGBXAGGSA-N	2	0	313.402	-1.482	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1	ZINC000582253064	336395478	/nfs/dbraw/zinc/39/54/78/336395478.db2.gz	BWXPXRJUZDSPBD-NEPJUHHUSA-N	2	0	313.402	-1.482	20	0		DAADRP
O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCN([C@H]2CC[NH2+]C2)CC1	ZINC000582544361	337102890	/nfs/dbraw/zinc/10/28/90/337102890.db2.gz	JHHSQJHUNWVWFQ-UONOGXRCSA-N	2	0	323.441	-1.249	20	0		DAADRP
O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC000582544362	337102922	/nfs/dbraw/zinc/10/29/22/337102922.db2.gz	JHHSQJHUNWVWFQ-ZIAGYGMSSA-N	2	0	323.441	-1.249	20	0		DAADRP
COCC[N@H+](C)C[C@H](O)CN1CCN(C(=O)C[NH+](C)C)CC1	ZINC000582853788	337210689	/nfs/dbraw/zinc/21/06/89/337210689.db2.gz	LXLKULGJCFIQBQ-AWEZNQCLSA-N	2	0	316.446	-1.369	20	0		DAADRP
CN1CC[NH2+]C[C@@H]1CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1	ZINC000584470851	337345286	/nfs/dbraw/zinc/34/52/86/337345286.db2.gz	MDWDYWUCHNOODT-VXGBXAGGSA-N	2	0	307.402	-1.164	20	0		DAADRP
CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000419788435	337492170	/nfs/dbraw/zinc/49/21/70/337492170.db2.gz	ZUFVIADBFMZFRQ-CYBMUJFWSA-N	2	0	313.446	-1.146	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[NH2+]C1	ZINC000419842032	337492760	/nfs/dbraw/zinc/49/27/60/337492760.db2.gz	LDCBHCJYGYOYDM-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
CN1CC[NH2+]C[C@@H]1CNC(=O)C1(n2cccn2)CC[NH2+]CC1	ZINC000572764771	341703430	/nfs/dbraw/zinc/70/34/30/341703430.db2.gz	LPXVQRVHQZPKDO-CYBMUJFWSA-N	2	0	306.414	-1.018	20	0		DAADRP
CC[NH+](CC)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NC)C[C@H]1O	ZINC001197057526	782121543	/nfs/dbraw/zinc/12/15/43/782121543.db2.gz	CPQSEQNPTOIHEJ-IJLUTSLNSA-N	2	0	300.403	-1.376	20	0		DAADRP
CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1O	ZINC001197058447	782121878	/nfs/dbraw/zinc/12/18/78/782121878.db2.gz	UALNDHPCHUYYHB-YNEHKIRRSA-N	2	0	303.403	-1.503	20	0		DAADRP
CC[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1	ZINC001197058668	782121981	/nfs/dbraw/zinc/12/19/81/782121981.db2.gz	WETIRFGQHLYAIT-IJLUTSLNSA-N	2	0	300.403	-1.247	20	0		DAADRP
C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1	ZINC001197826474	782142510	/nfs/dbraw/zinc/14/25/10/782142510.db2.gz	YPGUJMBWXFRHAC-MGPQQGTHSA-N	2	0	317.430	-1.113	20	0		DAADRP
COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cnc2C)C1	ZINC001198134681	782150319	/nfs/dbraw/zinc/15/03/19/782150319.db2.gz	YYHSIECEFUSVIQ-CYZMBNFOSA-N	2	0	312.370	-1.571	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C	ZINC001152439164	782153802	/nfs/dbraw/zinc/15/38/02/782153802.db2.gz	BXKFXFSALCIRNK-UHFFFAOYSA-N	2	0	301.391	-1.122	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1	ZINC000672597113	545654306	/nfs/dbraw/zinc/65/43/06/545654306.db2.gz	NIQSCNISPYCANN-STQMWFEESA-N	2	0	311.430	-1.441	20	0		DAADRP
O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1	ZINC000167412237	545721174	/nfs/dbraw/zinc/72/11/74/545721174.db2.gz	IQOLDIQYAPGZLL-ZDUSSCGKSA-N	2	0	310.398	-1.259	20	0		DAADRP
O=C(C(=O)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1)N1CCOCC1	ZINC000331556077	545724657	/nfs/dbraw/zinc/72/46/57/545724657.db2.gz	APRVMZQOFPQZGM-CQSZACIVSA-N	2	0	324.425	-1.011	20	0		DAADRP
O=C(C(=O)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1)N1CCOCC1	ZINC000331556071	545725282	/nfs/dbraw/zinc/72/52/82/545725282.db2.gz	APRVMZQOFPQZGM-AWEZNQCLSA-N	2	0	324.425	-1.011	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C	ZINC000419365507	545766443	/nfs/dbraw/zinc/76/64/43/545766443.db2.gz	XMKLWVHAWQKFER-VXGBXAGGSA-N	2	0	300.403	-1.205	20	0		DAADRP
[NH3+]CCN(CCO)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1	ZINC000419721354	545767060	/nfs/dbraw/zinc/76/70/60/545767060.db2.gz	GWYTZNLYINARAY-ZDUSSCGKSA-N	2	0	312.414	-1.101	20	0		DAADRP
COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21	ZINC000419675888	545767142	/nfs/dbraw/zinc/76/71/42/545767142.db2.gz	KXDJNBNIMDLWDO-OLZOCXBDSA-N	2	0	312.414	-1.109	20	0		DAADRP
COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1	ZINC000419702776	545767536	/nfs/dbraw/zinc/76/75/36/545767536.db2.gz	BYPJGTOSSOUXJG-AGIUHOORSA-N	2	0	312.414	-1.063	20	0		DAADRP
COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1	ZINC000419444193	545768971	/nfs/dbraw/zinc/76/89/71/545768971.db2.gz	CCEXTMQQLLBVLF-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[NH2+]CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1	ZINC000419879079	545771072	/nfs/dbraw/zinc/77/10/72/545771072.db2.gz	SKMRHQXGZUGLAF-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[C@@H](O)CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000659318639	545788779	/nfs/dbraw/zinc/78/87/79/545788779.db2.gz	OOCQPTXNYMLBRN-GFCCVEGCSA-N	2	0	302.419	-1.223	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCOC1	ZINC000672284096	545800107	/nfs/dbraw/zinc/80/01/07/545800107.db2.gz	QYZCCYJTWUYTRD-LBPRGKRZSA-N	2	0	300.403	-1.157	20	0		DAADRP
O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000649321289	545802249	/nfs/dbraw/zinc/80/22/49/545802249.db2.gz	SHJDLZWTVKLPKX-MCIONIFRSA-N	2	0	324.425	-1.088	20	0		DAADRP
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656025331	545810850	/nfs/dbraw/zinc/81/08/50/545810850.db2.gz	HFZZPDAHOUCJCB-XQHKEYJVSA-N	2	0	310.398	-1.622	20	0		DAADRP
CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656025065	545811162	/nfs/dbraw/zinc/81/11/62/545811162.db2.gz	WZBIVXJBUJMIBT-NWDGAFQWSA-N	2	0	312.414	-1.103	20	0		DAADRP
O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656025654	545811546	/nfs/dbraw/zinc/81/15/46/545811546.db2.gz	PEJVQURBVTZJOY-UONOGXRCSA-N	2	0	322.409	-1.310	20	0		DAADRP
[NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC000656022340	545811840	/nfs/dbraw/zinc/81/18/40/545811840.db2.gz	WSRBVTPQOYFIBL-QNWHQSFQSA-N	2	0	310.398	-1.350	20	0		DAADRP
CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1	ZINC000656081376	545815357	/nfs/dbraw/zinc/81/53/57/545815357.db2.gz	DXOPXSFLQRUEEK-UONOGXRCSA-N	2	0	324.425	-1.184	20	0		DAADRP
O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@H]2CC[NH2+][C@@H]2C1	ZINC000656103971	545816579	/nfs/dbraw/zinc/81/65/79/545816579.db2.gz	DOIMYUPAOATABB-XJFOESAGSA-N	2	0	322.409	-1.526	20	0		DAADRP
O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1	ZINC000656104347	545816877	/nfs/dbraw/zinc/81/68/77/545816877.db2.gz	OJTUYCSTDSUESN-RQJABVFESA-N	2	0	322.409	-1.526	20	0		DAADRP
C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC000656103610	545816926	/nfs/dbraw/zinc/81/69/26/545816926.db2.gz	AFCVGIZXGHMSSG-MELADBBJSA-N	2	0	324.425	-1.278	20	0		DAADRP
C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC000656103609	545817242	/nfs/dbraw/zinc/81/72/42/545817242.db2.gz	AFCVGIZXGHMSSG-HZSPNIEDSA-N	2	0	324.425	-1.278	20	0		DAADRP
O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1	ZINC000656104348	545817457	/nfs/dbraw/zinc/81/74/57/545817457.db2.gz	OJTUYCSTDSUESN-XJFOESAGSA-N	2	0	322.409	-1.526	20	0		DAADRP
CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656104658	545817603	/nfs/dbraw/zinc/81/76/03/545817603.db2.gz	TZWGTCZNVFCFFQ-HZSPNIEDSA-N	2	0	324.425	-1.136	20	0		DAADRP
C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1	ZINC000656104158	545817766	/nfs/dbraw/zinc/81/77/66/545817766.db2.gz	IVIOZDMNUDUNEI-FPMFFAJLSA-N	2	0	324.425	-1.150	20	0		DAADRP
C[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@H]1C[NH3+]	ZINC000656104578	545817856	/nfs/dbraw/zinc/81/78/56/545817856.db2.gz	RCIKFIVOHQVXRY-FQUUOJAGSA-N	2	0	324.425	-1.150	20	0		DAADRP
CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1[NH3+]	ZINC000656104022	545817908	/nfs/dbraw/zinc/81/79/08/545817908.db2.gz	FVEBITPXSOFBGU-XJFOESAGSA-N	2	0	324.425	-1.150	20	0		DAADRP
CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[C@@H]1[NH3+]	ZINC000656104021	545818039	/nfs/dbraw/zinc/81/80/39/545818039.db2.gz	FVEBITPXSOFBGU-RQJABVFESA-N	2	0	324.425	-1.150	20	0		DAADRP
O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@H]2[NH2+]CC[C@H]2C1	ZINC000656104345	545818079	/nfs/dbraw/zinc/81/80/79/545818079.db2.gz	OJTUYCSTDSUESN-IGQOVBAYSA-N	2	0	322.409	-1.526	20	0		DAADRP
C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H](C)[NH2+]1	ZINC000656103708	545818172	/nfs/dbraw/zinc/81/81/72/545818172.db2.gz	BKPAWYCTFKBVFV-ZDEQEGDKSA-N	2	0	310.398	-1.527	20	0		DAADRP
C[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1	ZINC000656104564	545818233	/nfs/dbraw/zinc/81/82/33/545818233.db2.gz	QMYWRZQTBLYIDR-UONOGXRCSA-N	2	0	324.425	-1.278	20	0		DAADRP
CCN(CC[NH3+])C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000627398913	545830391	/nfs/dbraw/zinc/83/03/91/545830391.db2.gz	ZFOZVPKUWSEDKC-ZDUSSCGKSA-N	2	0	313.446	-1.207	20	0		DAADRP
CCN(C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@@H]1CC[N@H+](C)C1	ZINC000658805793	545836243	/nfs/dbraw/zinc/83/62/43/545836243.db2.gz	ZDEDSEBDSGVYNA-HZSPNIEDSA-N	2	0	324.425	-1.184	20	0		DAADRP
CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000658785593	545836558	/nfs/dbraw/zinc/83/65/58/545836558.db2.gz	OWCCCJMMZVGDBI-QWHCGFSZSA-N	2	0	310.398	-1.716	20	0		DAADRP
O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1C[N@@H+]2CCN1CCC2	ZINC000662908133	545839416	/nfs/dbraw/zinc/83/94/16/545839416.db2.gz	ZEEOJLPRUBJLEP-UONOGXRCSA-N	2	0	323.441	-1.249	20	0		DAADRP
CN(CCC[NH3+])C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000662929974	545842657	/nfs/dbraw/zinc/84/26/57/545842657.db2.gz	KIILRHAPXFKTJB-UHFFFAOYSA-N	3	0	301.435	-1.255	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCOC1	ZINC000672284095	545861789	/nfs/dbraw/zinc/86/17/89/545861789.db2.gz	QYZCCYJTWUYTRD-GFCCVEGCSA-N	2	0	300.403	-1.157	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1	ZINC000672597111	545863877	/nfs/dbraw/zinc/86/38/77/545863877.db2.gz	NIQSCNISPYCANN-OLZOCXBDSA-N	2	0	311.430	-1.441	20	0		DAADRP
O[C@@H]1C[C@H](O)C[NH+](CCOCC[N@H+]2C[C@H](O)C[C@H](O)C2)C1	ZINC000674498930	545868402	/nfs/dbraw/zinc/86/84/02/545868402.db2.gz	YPDRSZZQYKUICN-KPWCQOOUSA-N	2	0	304.387	-2.142	20	0		DAADRP
Cn1nnnc1CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000678567344	545878669	/nfs/dbraw/zinc/87/86/69/545878669.db2.gz	XMUPJESIBKDUOM-UHFFFAOYSA-N	2	0	312.422	-1.113	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1	ZINC001199787904	782187192	/nfs/dbraw/zinc/18/71/92/782187192.db2.gz	HOIBNDUUKLHBPC-LLVKDONJSA-N	2	0	311.386	-1.144	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1	ZINC001021049128	662349128	/nfs/dbraw/zinc/34/91/28/662349128.db2.gz	IKFRPBYQIFAGBT-DDHJBXDOSA-N	2	0	308.382	-1.020	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1	ZINC001021049129	662349305	/nfs/dbraw/zinc/34/93/05/662349305.db2.gz	IKFRPBYQIFAGBT-FIQHERPVSA-N	2	0	308.382	-1.020	20	0		DAADRP
C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)C(N)=O	ZINC001022451454	662392939	/nfs/dbraw/zinc/39/29/39/662392939.db2.gz	ACHZSXJSKYTNGU-KSSLBASQSA-N	2	0	322.409	-1.040	20	0		DAADRP
O=C(CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)N1CC[NH2+]CC1	ZINC000891970988	662393875	/nfs/dbraw/zinc/39/38/75/662393875.db2.gz	LJWCLOSDOQHEHW-JTQLQIEISA-N	2	0	319.356	-1.038	20	0		DAADRP
[NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1	ZINC000926326102	662394999	/nfs/dbraw/zinc/39/49/99/662394999.db2.gz	KNMGTWURJXILHT-XJKSGUPXSA-N	2	0	324.425	-1.005	20	0		DAADRP
O=C(N[C@H]1CC[NH2+]C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC000892002079	662396761	/nfs/dbraw/zinc/39/67/61/662396761.db2.gz	KSZQYNNGEROGBD-YFKTTZPYSA-N	2	0	309.370	-1.075	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2C)CC[C@H]1C[NH3+]	ZINC000926417615	662407899	/nfs/dbraw/zinc/40/78/99/662407899.db2.gz	HFWHSLPLYDMKIE-VOAKCMCISA-N	2	0	312.414	-1.389	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2C)CC[C@H]1C[NH3+]	ZINC000926417605	662408044	/nfs/dbraw/zinc/40/80/44/662408044.db2.gz	HFWHSLPLYDMKIE-MROQNXINSA-N	2	0	312.414	-1.389	20	0		DAADRP
Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1=O	ZINC001023084310	662428513	/nfs/dbraw/zinc/42/85/13/662428513.db2.gz	NBQVATXZRCGRIZ-GARJFASQSA-N	2	0	308.386	-1.203	20	0		DAADRP
O=S(=O)(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH2+]CC1	ZINC000091673348	662428703	/nfs/dbraw/zinc/42/87/03/662428703.db2.gz	BADQYKHLYJPWOK-NEPJUHHUSA-N	2	0	304.416	-1.411	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2O)C1	ZINC001023788285	662460003	/nfs/dbraw/zinc/46/00/03/662460003.db2.gz	VAGCODKMMGWTPL-RAIGVLPGSA-N	2	0	321.381	-1.408	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cn3ccnc3)C[C@H]2O)C1	ZINC001023787653	662460260	/nfs/dbraw/zinc/46/02/60/662460260.db2.gz	NDXJZGCOQOTEIH-JHJVBQTASA-N	2	0	321.381	-1.477	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1	ZINC001019772337	662535909	/nfs/dbraw/zinc/53/59/09/662535909.db2.gz	AMNOZKQFZGDIII-NEPJUHHUSA-N	2	0	323.397	-1.320	20	0		DAADRP
CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1	ZINC000978626569	662615189	/nfs/dbraw/zinc/61/51/89/662615189.db2.gz	FMZIWLMKOKOKBK-FQUUOJAGSA-N	2	0	324.425	-1.125	20	0		DAADRP
C[NH+](C)CCN1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1=O	ZINC000898269821	662747543	/nfs/dbraw/zinc/74/75/43/662747543.db2.gz	LLDOHFGJCMKIDW-AWEZNQCLSA-N	2	0	324.425	-1.061	20	0		DAADRP
CC1(C)CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@@H]1[NH3+]	ZINC000903770613	662790270	/nfs/dbraw/zinc/79/02/70/662790270.db2.gz	HMPRSKSWAHQESX-TUAOUCFPSA-N	2	0	310.398	-1.541	20	0		DAADRP
C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000903784314	662790948	/nfs/dbraw/zinc/79/09/48/662790948.db2.gz	FYYWRFWCOZPIKY-MELADBBJSA-N	2	0	324.425	-1.136	20	0		DAADRP
C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)C[C@]2(C)C1	ZINC000904965051	662793028	/nfs/dbraw/zinc/79/30/28/662793028.db2.gz	PLCJXHFGSYUDRF-JMSVASOKSA-N	2	0	310.398	-1.417	20	0		DAADRP
[NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000905006885	662793293	/nfs/dbraw/zinc/79/32/93/662793293.db2.gz	FTAMQKODAAKDKZ-OQMKEHIESA-N	2	0	322.409	-1.396	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C[C@H]1[NH3+]	ZINC000904986937	662793611	/nfs/dbraw/zinc/79/36/11/662793611.db2.gz	MBDVWKULVQUMPE-AAVRWANBSA-N	2	0	324.425	-1.150	20	0		DAADRP
C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000904985751	662793714	/nfs/dbraw/zinc/79/37/14/662793714.db2.gz	CPMKYAXXTUEGEV-XQQFMLRXSA-N	2	0	312.414	-1.150	20	0		DAADRP
C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000904985404	662793721	/nfs/dbraw/zinc/79/37/21/662793721.db2.gz	BCZPUDQAJGAWGA-QWHCGFSZSA-N	2	0	312.414	-1.278	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C[C@H]1[NH3+]	ZINC000904986938	662793790	/nfs/dbraw/zinc/79/37/90/662793790.db2.gz	MBDVWKULVQUMPE-MQYQWHSLSA-N	2	0	324.425	-1.150	20	0		DAADRP
[NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1	ZINC000904985813	662793799	/nfs/dbraw/zinc/79/37/99/662793799.db2.gz	DPVQTESXUNMPKA-BFHYXJOUSA-N	2	0	324.425	-1.006	20	0		DAADRP
CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000904987256	662793894	/nfs/dbraw/zinc/79/38/94/662793894.db2.gz	OBJHUUUHMVWMTK-QWHCGFSZSA-N	2	0	312.414	-1.149	20	0		DAADRP
[NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1	ZINC000904985814	662793907	/nfs/dbraw/zinc/79/39/07/662793907.db2.gz	DPVQTESXUNMPKA-IHRRRGAJSA-N	2	0	324.425	-1.006	20	0		DAADRP
CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000904986064	662793920	/nfs/dbraw/zinc/79/39/20/662793920.db2.gz	FMOKXWLEDVZMLE-QWHCGFSZSA-N	2	0	312.414	-1.149	20	0		DAADRP
COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1	ZINC000905017761	662793946	/nfs/dbraw/zinc/79/39/46/662793946.db2.gz	WFONZFYIRUPUCI-OLZOCXBDSA-N	2	0	312.414	-1.014	20	0		DAADRP
O=C(C(=O)N1CC[NH2+]CC1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000904989700	662793961	/nfs/dbraw/zinc/79/39/61/662793961.db2.gz	NJBCYYRYFIUQLN-STQMWFEESA-N	2	0	310.398	-1.524	20	0		DAADRP
COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1	ZINC000905021396	662794236	/nfs/dbraw/zinc/79/42/36/662794236.db2.gz	KHULOWLKQZNIRQ-HEHGZKQESA-N	2	0	324.425	-1.157	20	0		DAADRP
COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC1	ZINC000905023726	662794341	/nfs/dbraw/zinc/79/43/41/662794341.db2.gz	URBSSEIWHIYQET-CYBMUJFWSA-N	2	0	312.414	-1.014	20	0		DAADRP
O=C(CNS(=O)(=O)CC1CC[NH2+]CC1)N1CC[NH2+]CC1	ZINC000905329288	662795276	/nfs/dbraw/zinc/79/52/76/662795276.db2.gz	KTOLNKYWXUETFL-UHFFFAOYSA-N	2	0	304.416	-1.663	20	0		DAADRP
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000910979082	663135453	/nfs/dbraw/zinc/13/54/53/663135453.db2.gz	UNTCELKMECJYRI-CYBMUJFWSA-N	2	0	313.446	-1.146	20	0		DAADRP
COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1	ZINC000910999883	663135786	/nfs/dbraw/zinc/13/57/86/663135786.db2.gz	NLSWQPKMEREUIP-DGCLKSJQSA-N	2	0	312.414	-1.063	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1	ZINC000911032380	663135830	/nfs/dbraw/zinc/13/58/30/663135830.db2.gz	UDLBDCVKTUXHEX-NWDGAFQWSA-N	2	0	311.430	-1.456	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[C@H]1C[NH3+]	ZINC000911031342	663135835	/nfs/dbraw/zinc/13/58/35/663135835.db2.gz	POMUUQZIDNLGDW-JHJVBQTASA-N	2	0	311.430	-1.598	20	0		DAADRP
C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCC3([NH3+])CC3)C2)CC1	ZINC000911035312	663135877	/nfs/dbraw/zinc/13/58/77/663135877.db2.gz	SQCPAKLMXUZSTL-LBPRGKRZSA-N	2	0	323.441	-1.121	20	0		DAADRP
C[NH2+]CCN(C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)C(C)C	ZINC000911030876	663136009	/nfs/dbraw/zinc/13/60/09/663136009.db2.gz	MROQHXHUZJECCX-ZDUSSCGKSA-N	2	0	313.446	-1.195	20	0		DAADRP
[NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1	ZINC000911071925	663136207	/nfs/dbraw/zinc/13/62/07/663136207.db2.gz	DLXWJZYSAUKNCQ-IAQYHMDHSA-N	2	0	310.398	-1.349	20	0		DAADRP
[NH3+]C1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1	ZINC000911071695	663136331	/nfs/dbraw/zinc/13/63/31/663136331.db2.gz	CZFKCCONUXYUPQ-ZDUSSCGKSA-N	2	0	323.441	-1.121	20	0		DAADRP
O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCNCC[NH2+]CC1	ZINC000911071689	663136738	/nfs/dbraw/zinc/13/67/38/663136738.db2.gz	CYEVBMKAUCAXEO-GFCCVEGCSA-N	2	0	309.414	-1.639	20	0		DAADRP
C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1	ZINC000911073339	663136764	/nfs/dbraw/zinc/13/67/64/663136764.db2.gz	RZPREULUZOJOLD-SMDDNHRTSA-N	2	0	300.403	-1.245	20	0		DAADRP
C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000911146268	663137458	/nfs/dbraw/zinc/13/74/58/663137458.db2.gz	KPPGGZYHXNBDLH-JSGCOSHPSA-N	2	0	323.441	-1.393	20	0		DAADRP
C[C@H]1C[C@@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)C[N@@H+]1C1CC1	ZINC000911147376	663137484	/nfs/dbraw/zinc/13/74/84/663137484.db2.gz	QKIVOJNSNVCHMH-QWHCGFSZSA-N	2	0	323.441	-1.251	20	0		DAADRP
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1	ZINC000911148680	663137652	/nfs/dbraw/zinc/13/76/52/663137652.db2.gz	ZSIBYFUOAUOQIB-KFNAQCHYSA-N	2	0	324.425	-1.103	20	0		DAADRP
C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000911148480	663137821	/nfs/dbraw/zinc/13/78/21/663137821.db2.gz	PESLKOBAYMIASG-ZOBORPQBSA-N	2	0	324.425	-1.063	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1	ZINC000911156212	663138080	/nfs/dbraw/zinc/13/80/80/663138080.db2.gz	NYEZZHSQZQEUAR-QWHCGFSZSA-N	2	0	312.414	-1.251	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1COC	ZINC000911156689	663138100	/nfs/dbraw/zinc/13/81/00/663138100.db2.gz	QAOUWUMZMUWBAG-LBPRGKRZSA-N	2	0	316.402	-1.872	20	0		DAADRP
COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1	ZINC000911239630	663139297	/nfs/dbraw/zinc/13/92/97/663139297.db2.gz	CZLFWYPXACGWSY-MROQNXINSA-N	2	0	310.398	-1.168	20	0		DAADRP
COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1	ZINC000911239631	663139606	/nfs/dbraw/zinc/13/96/06/663139606.db2.gz	CZLFWYPXACGWSY-UMSGYPCISA-N	2	0	310.398	-1.168	20	0		DAADRP
C[C@H](CNC(=O)C(=O)N1CCNCC[NH2+]CC1)[N@H+](C)C1CC1	ZINC000911204513	663139859	/nfs/dbraw/zinc/13/98/59/663139859.db2.gz	FMCILTGWZWHUFK-GFCCVEGCSA-N	2	0	311.430	-1.393	20	0		DAADRP
CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1	ZINC000911245120	663140052	/nfs/dbraw/zinc/14/00/52/663140052.db2.gz	WJANXQYIPGSJBV-CQSZACIVSA-N	2	0	300.403	-1.243	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)C[NH+](C)C	ZINC000911272657	663140076	/nfs/dbraw/zinc/14/00/76/663140076.db2.gz	DPIFILKIUYUQNQ-VXGBXAGGSA-N	2	0	300.403	-1.077	20	0		DAADRP
O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO	ZINC000911275063	663140190	/nfs/dbraw/zinc/14/01/90/663140190.db2.gz	UJQODLIBDZVQBK-JHJVBQTASA-N	2	0	310.398	-1.478	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)C[NH+](C)C	ZINC000911266274	663140812	/nfs/dbraw/zinc/14/08/12/663140812.db2.gz	HNQNNROHDQTASC-NWDGAFQWSA-N	2	0	300.403	-1.063	20	0		DAADRP
CC(C)([NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000911296686	663141055	/nfs/dbraw/zinc/14/10/55/663141055.db2.gz	KEOTYLURSAEZGF-NEPJUHHUSA-N	2	0	312.414	-1.103	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1	ZINC000911258998	663141082	/nfs/dbraw/zinc/14/10/82/663141082.db2.gz	VRWAUBFCHYUHOO-LLVKDONJSA-N	2	0	300.403	-1.124	20	0		DAADRP
O=C(NCC[NH2+]C1CC1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000911282980	663141405	/nfs/dbraw/zinc/14/14/05/663141405.db2.gz	FPROWPDVGUUCPL-KBPBESRZSA-N	2	0	324.425	-1.088	20	0		DAADRP
O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000911327310	663141751	/nfs/dbraw/zinc/14/17/51/663141751.db2.gz	UJQODLIBDZVQBK-XQQFMLRXSA-N	2	0	310.398	-1.478	20	0		DAADRP
CC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000911282474	663141974	/nfs/dbraw/zinc/14/19/74/663141974.db2.gz	QZZWKCUTDWZGRR-CHWSQXEVSA-N	2	0	312.414	-1.230	20	0		DAADRP
CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1	ZINC000911337781	663142361	/nfs/dbraw/zinc/14/23/61/663142361.db2.gz	WHHIQJKLUGQPPY-DOMZBBRYSA-N	2	0	312.414	-1.101	20	0		DAADRP
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000911348734	663142579	/nfs/dbraw/zinc/14/25/79/663142579.db2.gz	REKAZMTVBQZBQU-RFQIPJPRSA-N	2	0	324.425	-1.089	20	0		DAADRP
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000911348733	663142609	/nfs/dbraw/zinc/14/26/09/663142609.db2.gz	REKAZMTVBQZBQU-REWJHTLYSA-N	2	0	324.425	-1.089	20	0		DAADRP
C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)C[C@]2(C)C1	ZINC000911345307	663142933	/nfs/dbraw/zinc/14/29/33/663142933.db2.gz	ICDKZOJMUAVPLC-XUJVJEKNSA-N	2	0	310.398	-1.499	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)C[NH+](C)C	ZINC000911433624	663144510	/nfs/dbraw/zinc/14/45/10/663144510.db2.gz	BUGFDTPPNSZQOC-QJPTWQEYSA-N	2	0	318.393	-1.033	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)C[NH+](C)C	ZINC000911435374	663144538	/nfs/dbraw/zinc/14/45/38/663144538.db2.gz	MAQREYVNIGJDNI-GRYCIOLGSA-N	2	0	300.403	-1.125	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)C[NH+](C)C	ZINC000911437165	663144762	/nfs/dbraw/zinc/14/47/62/663144762.db2.gz	ZCIABHXLDBAIFI-RYUDHWBXSA-N	2	0	300.403	-1.110	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1	ZINC000911557604	663149371	/nfs/dbraw/zinc/14/93/71/663149371.db2.gz	PSECICWKAJHGPQ-JOCQHMNTSA-N	3	0	313.446	-1.208	20	0		DAADRP
[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1	ZINC000911729185	663150402	/nfs/dbraw/zinc/15/04/02/663150402.db2.gz	DNXYTRWXNYJWFO-IOASZLSFSA-N	2	0	324.425	-1.074	20	0		DAADRP
C[C@]1(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C[C@H](O)C[NH2+]1	ZINC000911701523	663150710	/nfs/dbraw/zinc/15/07/10/663150710.db2.gz	DEVLLCOGJMZSCM-DVOMOZLQSA-N	2	0	324.425	-1.230	20	0		DAADRP
CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N(C)CCN1CC[NH2+]CC1	ZINC000911775509	663151394	/nfs/dbraw/zinc/15/13/94/663151394.db2.gz	QKXDRTZTPUBWCV-CQSZACIVSA-N	2	0	313.446	-1.160	20	0		DAADRP
NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1	ZINC000996823016	663493848	/nfs/dbraw/zinc/49/38/48/663493848.db2.gz	SXEPUHLZTQWCPA-RYCVTPFZSA-N	2	0	322.409	-1.085	20	0		DAADRP
NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC000999765528	663563744	/nfs/dbraw/zinc/56/37/44/663563744.db2.gz	PAFCVKBOPNRTMO-BWAOXVRWSA-N	2	0	322.409	-1.085	20	0		DAADRP
C[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1)CCOCCO	ZINC000922110926	663622165	/nfs/dbraw/zinc/62/21/65/663622165.db2.gz	SJKGWIAQUOEJPN-KBPBESRZSA-N	2	0	315.414	-1.094	20	0		DAADRP
C[N@H+](CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1)CCOCCO	ZINC000922111819	663622288	/nfs/dbraw/zinc/62/22/88/663622288.db2.gz	NGXNUDKWXNEMOQ-AWEZNQCLSA-N	2	0	315.414	-1.236	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1	ZINC000946918723	663698535	/nfs/dbraw/zinc/69/85/35/663698535.db2.gz	PXYPOZOLUMZDQY-OLZOCXBDSA-N	2	0	324.425	-1.088	20	0		DAADRP
O=C(C[NH+]1CCCC1)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1	ZINC000946933203	663699301	/nfs/dbraw/zinc/69/93/01/663699301.db2.gz	SLTITKLPUHEVFI-ZDUSSCGKSA-N	2	0	324.425	-1.086	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N2CCC(O)(C[NH2+][C@@H]3CCNC3=O)CC2)C1	ZINC000946928629	663699444	/nfs/dbraw/zinc/69/94/44/663699444.db2.gz	UMPSLOBYIQDSLF-QWHCGFSZSA-N	2	0	324.425	-1.230	20	0		DAADRP
O=C(C[NH+]1CCCC1)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1	ZINC000946933202	663699526	/nfs/dbraw/zinc/69/95/26/663699526.db2.gz	SLTITKLPUHEVFI-CYBMUJFWSA-N	2	0	324.425	-1.086	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N2CCC(O)(C[NH2+][C@@H]3CCNC3=O)CC2)C1	ZINC000946928627	663699547	/nfs/dbraw/zinc/69/95/47/663699547.db2.gz	UMPSLOBYIQDSLF-CHWSQXEVSA-N	2	0	324.425	-1.230	20	0		DAADRP
C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000842164743	663876671	/nfs/dbraw/zinc/87/66/71/663876671.db2.gz	NZJATXPEHKTLQH-XQQFMLRXSA-N	2	0	310.398	-1.214	20	0		DAADRP
[NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000848616664	663892587	/nfs/dbraw/zinc/89/25/87/663892587.db2.gz	QMTWJYNQSXWVJJ-OLZOCXBDSA-N	2	0	312.414	-1.101	20	0		DAADRP
[NH3+]CC12CC(C1)CN2C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000851685808	663896289	/nfs/dbraw/zinc/89/62/89/663896289.db2.gz	WFHMPKAPXHIJLX-BWAOXVRWSA-N	2	0	322.409	-1.085	20	0		DAADRP
O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000851685050	663896312	/nfs/dbraw/zinc/89/63/12/663896312.db2.gz	OVWOCTRWWYSHMP-LGESCRJUSA-N	2	0	322.409	-1.166	20	0		DAADRP
[NH3+]C[C@H]1CC(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)=NO1	ZINC000852865686	663898349	/nfs/dbraw/zinc/89/83/49/663898349.db2.gz	MDBLKJPTGJZMMG-GFCCVEGCSA-N	2	0	323.397	-1.143	20	0		DAADRP
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000861756030	663918972	/nfs/dbraw/zinc/91/89/72/663918972.db2.gz	SLSAPURVKXFPGA-UMSGYPCISA-N	2	0	310.398	-1.168	20	0		DAADRP
CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)[C@@H](C[NH3+])C1	ZINC000868385674	663934278	/nfs/dbraw/zinc/93/42/78/663934278.db2.gz	WRIBAGSXLFVMRI-HZSPNIEDSA-N	2	0	323.441	-1.360	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000868397628	663934311	/nfs/dbraw/zinc/93/43/11/663934311.db2.gz	YSECYTVZQDIIFB-STQMWFEESA-N	2	0	312.414	-1.027	20	0		DAADRP
C[C@@H](CNS(=O)(=O)N1CC[NH2+]CC1)CN1CC[NH+](C)CC1	ZINC000923619686	663936549	/nfs/dbraw/zinc/93/65/49/663936549.db2.gz	KNWREVSLGWBTOM-ZDUSSCGKSA-N	2	0	319.475	-1.391	20	0		DAADRP
COC[C@@H](CCC[NH3+])[NH2+]C[C@@]12COCCN1C(=O)COC2	ZINC000873265400	663941016	/nfs/dbraw/zinc/94/10/16/663941016.db2.gz	HPFOWDRNDUFAMF-OCCSQVGLSA-N	2	0	301.387	-1.042	20	0		DAADRP
COC[C@]1(C(=O)NCC(=O)N2CC[NH2+]CC2)C[NH2+]CCO1	ZINC000876512416	663945594	/nfs/dbraw/zinc/94/55/94/663945594.db2.gz	NMROANGUUZLIIW-ZDUSSCGKSA-N	2	0	300.359	-2.461	20	0		DAADRP
COC[C@]1(C(=O)N(C)CCN2CC[NH2+]CC2)C[NH2+]CCO1	ZINC000876526194	663946110	/nfs/dbraw/zinc/94/61/10/663946110.db2.gz	QOWRRFOILLQUFA-AWEZNQCLSA-N	2	0	300.403	-1.645	20	0		DAADRP
[NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1	ZINC000923646340	663946249	/nfs/dbraw/zinc/94/62/49/663946249.db2.gz	QMRJUSIMSKDUET-OLZOCXBDSA-N	2	0	318.443	-1.035	20	0		DAADRP
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H](N)C[NH+](C)C	ZINC000876749969	663946775	/nfs/dbraw/zinc/94/67/75/663946775.db2.gz	SFOZLMSJAIQHBL-QWHCGFSZSA-N	2	0	313.446	-1.066	20	0		DAADRP
COCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(COC)C[NH2+]CCO2)C1	ZINC000876754059	663947450	/nfs/dbraw/zinc/94/74/50/663947450.db2.gz	AXMHGFYQPWSJLL-JSGCOSHPSA-N	2	0	301.387	-1.172	20	0		DAADRP
COC[C@@]1(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)C[NH2+]CCO1	ZINC000876782371	663948116	/nfs/dbraw/zinc/94/81/16/663948116.db2.gz	PLSMVZJTVBQDRX-UKRRQHHQSA-N	2	0	314.430	-1.257	20	0		DAADRP
COCCN(CC1CC[NH+](C)CC1)C(=O)CNC(=O)C[NH3+]	ZINC000877132365	663949582	/nfs/dbraw/zinc/94/95/82/663949582.db2.gz	BJACHPMUANJDBA-UHFFFAOYSA-N	2	0	300.403	-1.122	20	0		DAADRP
CCO[C@@H]1CN(C(=O)[C@@]2(COC)C[NH2+]CCO2)C[C@H]1C[NH3+]	ZINC000876949855	663949655	/nfs/dbraw/zinc/94/96/55/663949655.db2.gz	YDDOPDSPIQXTPM-BZPMIXESSA-N	2	0	301.387	-1.186	20	0		DAADRP
COCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000884430290	663964616	/nfs/dbraw/zinc/96/46/16/663964616.db2.gz	LJDGANOMWSWDSR-GFCCVEGCSA-N	2	0	313.402	-1.480	20	0		DAADRP
[NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000884560241	663965184	/nfs/dbraw/zinc/96/51/84/663965184.db2.gz	RLRTZOUCWCMZRV-UPJWGTAASA-N	2	0	310.398	-1.085	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1	ZINC000884562488	663965261	/nfs/dbraw/zinc/96/52/61/663965261.db2.gz	BRHHUWLKTHDBHU-VXGBXAGGSA-N	2	0	300.403	-1.266	20	0		DAADRP
C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCC[NH3+])C[C@H]1C[NH+](C)C	ZINC000884672695	663965511	/nfs/dbraw/zinc/96/55/11/663965511.db2.gz	AVDIDTAMYCGLLH-CHWSQXEVSA-N	3	0	313.446	-1.351	20	0		DAADRP
C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC[C@@H]21	ZINC000884677196	663965851	/nfs/dbraw/zinc/96/58/51/663965851.db2.gz	KYRDAZFKPUWSIJ-KBPBESRZSA-N	2	0	323.441	-1.440	20	0		DAADRP
COCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000884721652	663966381	/nfs/dbraw/zinc/96/63/81/663966381.db2.gz	QEIQUCWSTVLQGR-STQMWFEESA-N	2	0	312.414	-1.109	20	0		DAADRP
COCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1	ZINC000884721650	663966746	/nfs/dbraw/zinc/96/67/46/663966746.db2.gz	QEIQUCWSTVLQGR-OLZOCXBDSA-N	2	0	312.414	-1.109	20	0		DAADRP
C[C@H](C[NH3+])NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000884704517	663966896	/nfs/dbraw/zinc/96/68/96/663966896.db2.gz	JMQHGGFCSLLTFR-JHJVBQTASA-N	3	0	313.446	-1.352	20	0		DAADRP
O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2	ZINC000884787476	663967264	/nfs/dbraw/zinc/96/72/64/663967264.db2.gz	SQNCBQUJBPFJGS-MJBXVCDLSA-N	2	0	322.409	-1.071	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1	ZINC000884812751	663967400	/nfs/dbraw/zinc/96/74/00/663967400.db2.gz	ZIXXPUZPZCGXQQ-OLZOCXBDSA-N	2	0	312.414	-1.109	20	0		DAADRP
C[C@H](C(=O)N[C@H]1COC[C@H]1NC(=O)[C@@H](C)[NH+](C)C)[NH+](C)C	ZINC000888041322	663976829	/nfs/dbraw/zinc/97/68/29/663976829.db2.gz	CYYSYCJVLYPJNO-KKOKHZNYSA-N	2	0	300.403	-1.114	20	0		DAADRP
CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000926334224	663981968	/nfs/dbraw/zinc/98/19/68/663981968.db2.gz	RUOOHBPOUTVBCW-ZDUSSCGKSA-N	2	0	311.430	-1.582	20	0		DAADRP
[NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1	ZINC000926336642	663982203	/nfs/dbraw/zinc/98/22/03/663982203.db2.gz	ZBAGJSKSKKDDTK-DOMZBBRYSA-N	2	0	310.398	-1.395	20	0		DAADRP
C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCO1	ZINC000926332881	663982235	/nfs/dbraw/zinc/98/22/35/663982235.db2.gz	HKWQIKUHQIMKMF-MJBXVCDLSA-N	2	0	324.425	-1.157	20	0		DAADRP
C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CCO1	ZINC000926335850	663982252	/nfs/dbraw/zinc/98/22/52/663982252.db2.gz	VFEHUCAYMIHIJO-STQMWFEESA-N	2	0	312.414	-1.027	20	0		DAADRP
CN(C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000926330982	663982350	/nfs/dbraw/zinc/98/23/50/663982350.db2.gz	CZBXYGLWHMZQKG-CZUORRHYSA-N	2	0	324.425	-1.006	20	0		DAADRP
CN(C(=O)C(=O)N1CCNCC[NH2+]CC1)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000926330506	663982479	/nfs/dbraw/zinc/98/24/79/663982479.db2.gz	AAURVDHLLDKCDJ-AWEZNQCLSA-N	2	0	323.441	-1.297	20	0		DAADRP
CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1	ZINC000926332056	663982911	/nfs/dbraw/zinc/98/29/11/663982911.db2.gz	HSRSWFUYPFOAGQ-SWLSCSKDSA-N	2	0	312.414	-1.291	20	0		DAADRP
CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000926350239	663983013	/nfs/dbraw/zinc/98/30/13/663983013.db2.gz	FMPINXLQQSOQIF-UHFFFAOYSA-N	2	0	313.446	-1.192	20	0		DAADRP
CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1	ZINC000926382272	663983554	/nfs/dbraw/zinc/98/35/54/663983554.db2.gz	IVKCKOCHUXHUIY-WFASDCNBSA-N	2	0	312.414	-1.149	20	0		DAADRP
[NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1	ZINC000926413702	663984215	/nfs/dbraw/zinc/98/42/15/663984215.db2.gz	QNGJMGPIJVVYML-CZUORRHYSA-N	2	0	322.409	-1.229	20	0		DAADRP
C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@]([NH3+])(CO)C3)C2)C1	ZINC000926411278	663984365	/nfs/dbraw/zinc/98/43/65/663984365.db2.gz	CWOOAZRFPOUWRC-HZPDHXFCSA-N	2	0	324.425	-1.147	20	0		DAADRP
[NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1	ZINC000926413700	663984581	/nfs/dbraw/zinc/98/45/81/663984581.db2.gz	QNGJMGPIJVVYML-BBRMVZONSA-N	2	0	322.409	-1.229	20	0		DAADRP
CN1CC[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000931879615	663996729	/nfs/dbraw/zinc/99/67/29/663996729.db2.gz	TULBQHCCIHJUMU-CYBMUJFWSA-N	2	0	313.446	-1.242	20	0		DAADRP
COCC[N@H+](C)C[C@H](O)CN1CC[C@H](CS(N)(=O)=O)C1	ZINC000932948809	664000296	/nfs/dbraw/zinc/00/02/96/664000296.db2.gz	UENMEBGYFPHALW-RYUDHWBXSA-N	2	0	309.432	-1.464	20	0		DAADRP
O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1C[NH+]2CC3CC2(C3)CO1	ZINC000961286849	664336633	/nfs/dbraw/zinc/33/66/33/664336633.db2.gz	ZKJXZIBCKVXQBE-FYXRNUCBSA-N	2	0	307.394	-1.112	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O	ZINC000961963498	664363739	/nfs/dbraw/zinc/36/37/39/664363739.db2.gz	GHFWFNKOEMGEIZ-MCIONIFRSA-N	2	0	324.425	-1.136	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1	ZINC000963453032	664390946	/nfs/dbraw/zinc/39/09/46/664390946.db2.gz	RPFUPEFVWZUZAW-MCIONIFRSA-N	2	0	324.425	-1.136	20	0		DAADRP
O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O	ZINC000963513756	664392527	/nfs/dbraw/zinc/39/25/27/664392527.db2.gz	NZYFTXUKSJJOBG-KGLIPLIRSA-N	2	0	324.425	-1.134	20	0		DAADRP
C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC(N)=O	ZINC001082653343	678118485	/nfs/dbraw/zinc/11/84/85/678118485.db2.gz	GLQSHHNSUVWDKE-KTGQDBSUSA-N	2	0	322.409	-1.229	20	0		DAADRP
C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001058710858	677687089	/nfs/dbraw/zinc/68/70/89/677687089.db2.gz	SCQFMZNQSXDOEZ-ZDUSSCGKSA-N	2	0	314.430	-1.173	20	0		DAADRP
C[NH+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1	ZINC001042091501	678314462	/nfs/dbraw/zinc/31/44/62/678314462.db2.gz	BJFWLYLGRKDWHS-OLZOCXBDSA-N	2	0	324.425	-1.136	20	0		DAADRP
C[NH+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1	ZINC001043118867	678366495	/nfs/dbraw/zinc/36/64/95/678366495.db2.gz	NBNMMIFHMYDLJI-STQMWFEESA-N	2	0	324.425	-1.421	20	0		DAADRP
C[NH+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1	ZINC001043118865	678366575	/nfs/dbraw/zinc/36/65/75/678366575.db2.gz	NBNMMIFHMYDLJI-OLZOCXBDSA-N	2	0	324.425	-1.421	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1	ZINC001043123883	678367178	/nfs/dbraw/zinc/36/71/78/678367178.db2.gz	JQOWUFVVTWQVGB-CYBMUJFWSA-N	2	0	324.425	-1.134	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)C1	ZINC001043126766	678367386	/nfs/dbraw/zinc/36/73/86/678367386.db2.gz	CXBVTMHLWNIOAX-CYBMUJFWSA-N	2	0	324.425	-1.277	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1	ZINC001043431851	678379773	/nfs/dbraw/zinc/37/97/73/678379773.db2.gz	UGOKZGXZMHXJSR-UHFFFAOYSA-N	2	0	314.430	-1.032	20	0		DAADRP
CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1	ZINC001045714029	678469875	/nfs/dbraw/zinc/46/98/75/678469875.db2.gz	WLYLSAZNXXTFNB-UHFFFAOYSA-N	2	0	314.430	-1.031	20	0		DAADRP
C[NH+](C)CC(=O)N1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1	ZINC000900171085	678471697	/nfs/dbraw/zinc/47/16/97/678471697.db2.gz	GQPUFTZCIFPCBQ-WFASDCNBSA-N	2	0	312.414	-1.326	20	0		DAADRP
C[C@@]1(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CCN(CC(N)=O)C1	ZINC001046501143	678483672	/nfs/dbraw/zinc/48/36/72/678483672.db2.gz	KQTPFKRSENTZJL-KOXVPCQNSA-N	2	0	322.409	-1.085	20	0		DAADRP
O=C(Cc1c[nH]cn1)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1	ZINC001047183955	678502144	/nfs/dbraw/zinc/50/21/44/678502144.db2.gz	XGKKOODRRLJUIX-UHFFFAOYSA-N	2	0	321.381	-1.263	20	0		DAADRP
CN(C(=O)[C@@H]1CCn2cncc2C1)[C@H]1C[N@H+](CCO)C[C@@H]1O	ZINC001047432022	678518357	/nfs/dbraw/zinc/51/83/57/678518357.db2.gz	VFEDTOGEHJGSLA-XBFCOCLRSA-N	2	0	308.382	-1.059	20	0		DAADRP
NC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1	ZINC001048833453	678562389	/nfs/dbraw/zinc/56/23/89/678562389.db2.gz	ODGDADKOJXRSCC-CRWXNKLISA-N	2	0	322.409	-1.275	20	0		DAADRP
C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)CC1	ZINC001049136706	678574991	/nfs/dbraw/zinc/57/49/91/678574991.db2.gz	YQDZOCRCKDAVRE-BETUJISGSA-N	2	0	324.425	-1.027	20	0		DAADRP
C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001057635836	678734332	/nfs/dbraw/zinc/73/43/32/678734332.db2.gz	JCYDAIGQAAHTEN-CYBMUJFWSA-N	2	0	314.430	-1.173	20	0		DAADRP
C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001057635841	678734591	/nfs/dbraw/zinc/73/45/91/678734591.db2.gz	JCYDAIGQAAHTEN-ZDUSSCGKSA-N	2	0	314.430	-1.173	20	0		DAADRP
C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CC[N@@H+]1C	ZINC001070196970	678858775	/nfs/dbraw/zinc/85/87/75/678858775.db2.gz	OHPHJPUJQCTHJQ-SYQHCUMBSA-N	2	0	322.413	-1.048	20	0		DAADRP
CC[C@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)[NH+](C)C	ZINC001070217552	678859848	/nfs/dbraw/zinc/85/98/48/678859848.db2.gz	HYACYTDIKFYFHL-UTUOFQBUSA-N	2	0	323.401	-1.555	20	0		DAADRP
CC[C@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)[NH+](C)C	ZINC001070217733	678859906	/nfs/dbraw/zinc/85/99/06/678859906.db2.gz	POYBBIGXDXLFMQ-UPJWGTAASA-N	2	0	310.402	-1.048	20	0		DAADRP
NC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1	ZINC001070327729	678864659	/nfs/dbraw/zinc/86/46/59/678864659.db2.gz	DQYHJSPVBZHGOV-NEPJUHHUSA-N	2	0	321.385	-1.799	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1	ZINC001070326990	678864768	/nfs/dbraw/zinc/86/47/68/678864768.db2.gz	MYMADPAQPFUTNC-XQQFMLRXSA-N	2	0	308.386	-1.436	20	0		DAADRP
C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NC(N)=O	ZINC001273910064	782221716	/nfs/dbraw/zinc/22/17/16/782221716.db2.gz	MDSQHQSAFSZLEH-SEUFLZDSSA-N	2	0	311.386	-1.074	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCNS(C)(=O)=O	ZINC001273909723	782222883	/nfs/dbraw/zinc/22/28/83/782222883.db2.gz	KHRRSGSBUAAVEA-MVZIDQBPSA-N	2	0	318.443	-1.108	20	0		DAADRP
C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](C[C@H](O)CO)C2	ZINC001274564625	782283820	/nfs/dbraw/zinc/28/38/20/782283820.db2.gz	KHMBUUDRZVXBQB-DZGCQCFKSA-N	2	0	315.414	-1.548	20	0		DAADRP
C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](C[C@H](O)CO)C2)C1=O	ZINC001274565750	782284120	/nfs/dbraw/zinc/28/41/20/782284120.db2.gz	UDVFNDYXDFFIAL-WFASDCNBSA-N	2	0	313.398	-1.258	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O	ZINC001099986852	782523216	/nfs/dbraw/zinc/52/32/16/782523216.db2.gz	QFJPHMHGGFGROT-CHWSQXEVSA-N	2	0	303.403	-1.502	20	0		DAADRP
C[NH+]1CCC(OCC(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2O)CC1	ZINC001100050774	782542506	/nfs/dbraw/zinc/54/25/06/782542506.db2.gz	MWYTUPMGTRXTLK-KBPBESRZSA-N	2	0	315.414	-1.359	20	0		DAADRP
C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21	ZINC001115126720	782643663	/nfs/dbraw/zinc/64/36/63/782643663.db2.gz	SSOQEGBGCWNXFI-CZXHOFHRSA-N	2	0	310.398	-1.501	20	0		DAADRP
C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21	ZINC001115125694	782643878	/nfs/dbraw/zinc/64/38/78/782643878.db2.gz	ARPZKAQIUWSRJH-NHAGDIPZSA-N	2	0	322.413	-1.097	20	0		DAADRP
OC[C@H]1CC[N@H+](C/C=C/C[NH+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O	ZINC001118558117	782727016	/nfs/dbraw/zinc/72/70/16/782727016.db2.gz	MXNVHSYDYSENPA-NTXWRNLQSA-N	2	0	314.426	-1.107	20	0		DAADRP
CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)C[NH+]1CCCC1	ZINC001267470295	775244710	/nfs/dbraw/zinc/24/47/10/775244710.db2.gz	UNGRKXYIBZGWJQ-UHFFFAOYSA-N	2	0	312.414	-1.011	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCCC1(C[NH2+]CC(N)=O)CC1	ZINC001167733199	775275884	/nfs/dbraw/zinc/27/58/84/775275884.db2.gz	WBTTUMQFJSZTIF-UHFFFAOYSA-N	2	0	300.403	-1.074	20	0		DAADRP
C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(n2cc(CNCCO)nn2)C1	ZINC001105327122	775309276	/nfs/dbraw/zinc/30/92/76/775309276.db2.gz	SZORKLAYHJLIRX-BXUZGUMPSA-N	2	0	322.413	-1.059	20	0		DAADRP
COc1nc(NC(=[NH2+])NCCCC[NH3+])nc(N2CCOCC2)n1	ZINC001167881269	775351994	/nfs/dbraw/zinc/35/19/94/775351994.db2.gz	ZHAMNXREQMJAGJ-UHFFFAOYSA-N	2	0	324.389	-1.186	20	0		DAADRP
CN(CC(=O)N1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2)C(N)=[NH2+]	ZINC001268997063	775433754	/nfs/dbraw/zinc/43/37/54/775433754.db2.gz	SYVVEDPRYNJGLH-TXEJJXNPSA-N	2	0	312.418	-1.715	20	0		DAADRP
CN(CCOCC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001284877644	775488654	/nfs/dbraw/zinc/48/86/54/775488654.db2.gz	HFJKDYNSQUWVOP-STQMWFEESA-N	2	0	312.414	-1.109	20	0		DAADRP
CN(C)C(=O)CN1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C	ZINC001272273569	775567750	/nfs/dbraw/zinc/56/77/50/775567750.db2.gz	QTSNTCJMOKXEGS-XUXIUFHCSA-N	2	0	324.425	-1.185	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NCC1CC([NH2+]CC(N)=O)C1	ZINC001100986379	775645286	/nfs/dbraw/zinc/64/52/86/775645286.db2.gz	SOUBZMRHINZBOQ-PNESKVBLSA-N	2	0	312.414	-1.076	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1	ZINC001127254191	775762774	/nfs/dbraw/zinc/76/27/74/775762774.db2.gz	CZMFZHJMTJNNLU-MNOVXSKESA-N	2	0	311.386	-1.239	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O	ZINC001272566622	775777989	/nfs/dbraw/zinc/77/79/89/775777989.db2.gz	ABYATGTXKIVOBD-GHMZBOCLSA-N	2	0	314.386	-1.800	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1C(=O)N1CC2(CN(CC[NH+](C)C)C2)C1	ZINC001272565351	775778096	/nfs/dbraw/zinc/77/80/96/775778096.db2.gz	JPLWZOFIDTZTKH-AWEZNQCLSA-N	2	0	309.458	-1.062	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC2(CN(CC[NH+](C)C)C2)C1	ZINC001272565354	775778598	/nfs/dbraw/zinc/77/85/98/775778598.db2.gz	JPLWZOFIDTZTKH-CQSZACIVSA-N	2	0	309.458	-1.062	20	0		DAADRP
CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001127481619	775808659	/nfs/dbraw/zinc/80/86/59/775808659.db2.gz	VGWHTZSURWVTJE-LBPRGKRZSA-N	2	0	318.443	-1.417	20	0		DAADRP
CN1CC[C@H]([NH2+]CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1=O	ZINC001127562056	775811435	/nfs/dbraw/zinc/81/14/35/775811435.db2.gz	ANXYEPBCUZTEQW-ZDUSSCGKSA-N	2	0	322.413	-1.005	20	0		DAADRP
COC[C@@H](O)C[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1	ZINC001127558186	775812095	/nfs/dbraw/zinc/81/20/95/775812095.db2.gz	GOWRASMQKHEHDG-LBPRGKRZSA-N	2	0	313.402	-1.229	20	0		DAADRP
CN(C)C(=O)C[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1	ZINC001127558878	775812216	/nfs/dbraw/zinc/81/22/16/775812216.db2.gz	UPJRQPNIHCGTAB-UHFFFAOYSA-N	2	0	310.402	-1.148	20	0		DAADRP
CCNC(=O)C[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1	ZINC001127575876	775814132	/nfs/dbraw/zinc/81/41/32/775814132.db2.gz	CXVBETJHYMZSBO-UHFFFAOYSA-N	2	0	310.402	-1.100	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)CC[N@@H+]1C	ZINC001127644138	775818146	/nfs/dbraw/zinc/81/81/46/775818146.db2.gz	WJVADGWHEJBIHR-GHMZBOCLSA-N	2	0	306.432	-1.418	20	0		DAADRP
CN(CC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)S(C)(=O)=O	ZINC001124877266	775832312	/nfs/dbraw/zinc/83/23/12/775832312.db2.gz	DYPZBSMUMDSYOR-NSHDSACASA-N	2	0	306.432	-1.322	20	0		DAADRP
CN(CC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)S(C)(=O)=O	ZINC001124877259	775832403	/nfs/dbraw/zinc/83/24/03/775832403.db2.gz	DYPZBSMUMDSYOR-LLVKDONJSA-N	2	0	306.432	-1.322	20	0		DAADRP
CS(=O)(=O)CC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001127780058	775863337	/nfs/dbraw/zinc/86/33/37/775863337.db2.gz	VERDFCOPPCSHMB-VXGBXAGGSA-N	2	0	319.427	-1.400	20	0		DAADRP
O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC1	ZINC001127779327	775864997	/nfs/dbraw/zinc/86/49/97/775864997.db2.gz	LGPWOCAJQIEOQF-STQMWFEESA-N	2	0	310.398	-1.212	20	0		DAADRP
O=S(=O)([C@H]1CC[NH2+]C1)N1CCO[C@@]2(C1)C[NH2+]CCOC2	ZINC001239023694	775867760	/nfs/dbraw/zinc/86/77/60/775867760.db2.gz	SXWFMONCVHQZSY-NWDGAFQWSA-N	2	0	305.400	-1.631	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])c1ccnc(N2CC[NH2+]CC2)n1	ZINC001162123756	775979119	/nfs/dbraw/zinc/97/91/19/775979119.db2.gz	CYFPCWAVNVUGDF-UHFFFAOYSA-N	2	0	300.388	-1.389	20	0		DAADRP
CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CC(=O)NC(N)=O	ZINC001128533250	775982954	/nfs/dbraw/zinc/98/29/54/775982954.db2.gz	JYHQLFLRJASSMB-SECBINFHSA-N	2	0	305.354	-1.433	20	0		DAADRP
CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CC(=O)NC(=O)NC	ZINC001128533981	775983244	/nfs/dbraw/zinc/98/32/44/775983244.db2.gz	VAGOIVPNUMMGAO-JTQLQIEISA-N	2	0	319.381	-1.172	20	0		DAADRP
CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O	ZINC001128552131	775984043	/nfs/dbraw/zinc/98/40/43/775984043.db2.gz	KPHLGFOJJLTLJL-UWVGGRQHSA-N	2	0	319.381	-1.045	20	0		DAADRP
O=C(CCn1ccnc1)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1	ZINC001129139490	776052882	/nfs/dbraw/zinc/05/28/82/776052882.db2.gz	LALILBDPJFEIDA-OLZOCXBDSA-N	2	0	319.369	-1.101	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1	ZINC001129219197	776054361	/nfs/dbraw/zinc/05/43/61/776054361.db2.gz	AFEKLEMJPRAYGS-OLZOCXBDSA-N	2	0	310.402	-1.046	20	0		DAADRP
CC[NH+](CC)CC(=O)NCCC[NH2+]CCNS(C)(=O)=O	ZINC001168762634	776076436	/nfs/dbraw/zinc/07/64/36/776076436.db2.gz	FFAWUUYLEOBWRS-UHFFFAOYSA-N	2	0	308.448	-1.027	20	0		DAADRP
CC[NH+](CC)CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O	ZINC001168763317	776082968	/nfs/dbraw/zinc/08/29/68/776082968.db2.gz	NKFKNCYFGAMYJH-UHFFFAOYSA-N	2	0	313.402	-1.024	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O	ZINC001099986932	776217252	/nfs/dbraw/zinc/21/72/52/776217252.db2.gz	RJDCZCVEDHXLNE-CHWSQXEVSA-N	2	0	310.402	-1.219	20	0		DAADRP
NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1	ZINC001086091893	776239757	/nfs/dbraw/zinc/23/97/57/776239757.db2.gz	RNWMVADBWKKROY-RNJOBUHISA-N	2	0	310.398	-1.181	20	0		DAADRP
C[NH+]1CCC(OCC(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2O)CC1	ZINC001100050775	776252594	/nfs/dbraw/zinc/25/25/94/776252594.db2.gz	MWYTUPMGTRXTLK-KGLIPLIRSA-N	2	0	315.414	-1.359	20	0		DAADRP
NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC001086431713	776261960	/nfs/dbraw/zinc/26/19/60/776261960.db2.gz	AWXTVWIYMPQGFQ-RYMLTCQSSA-N	2	0	322.409	-1.181	20	0		DAADRP
CNC(=O)C[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1	ZINC001169530399	776294348	/nfs/dbraw/zinc/29/43/48/776294348.db2.gz	AZZHIARHORZGNL-UHFFFAOYSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[NH+](C)C1(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CCC1	ZINC001129357493	776313930	/nfs/dbraw/zinc/31/39/30/776313930.db2.gz	MLFPQIVYOFUKQE-UHFFFAOYSA-N	2	0	311.386	-1.272	20	0		DAADRP
CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N(C)C[C@@H]1C[NH2+]CCO1	ZINC001157721525	776428741	/nfs/dbraw/zinc/42/87/41/776428741.db2.gz	ZBLBOFSTPVNILJ-RYUDHWBXSA-N	2	0	300.403	-1.077	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C	ZINC001129436471	776470432	/nfs/dbraw/zinc/47/04/32/776470432.db2.gz	PKIZPJWXBAZIDF-LBPRGKRZSA-N	2	0	313.402	-1.122	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C	ZINC001129448580	776470982	/nfs/dbraw/zinc/47/09/82/776470982.db2.gz	BTQPVJOGMYOTDP-ONGXEEELSA-N	2	0	313.402	-1.124	20	0		DAADRP
C[N@H+](CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O)C1CCC1	ZINC001129535452	776474389	/nfs/dbraw/zinc/47/43/89/776474389.db2.gz	SHWGPOZMXKJCJQ-UHFFFAOYSA-N	2	0	311.386	-1.272	20	0		DAADRP
C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1)C(N)=O	ZINC001129992090	776489943	/nfs/dbraw/zinc/48/99/43/776489943.db2.gz	KTASEZRPEIAKSZ-UTUOFQBUSA-N	2	0	323.401	-1.555	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1	ZINC001130123462	776495353	/nfs/dbraw/zinc/49/53/53/776495353.db2.gz	SBXUVEUJSLXQJF-MCIONIFRSA-N	2	0	322.413	-1.046	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1	ZINC001130137071	776495403	/nfs/dbraw/zinc/49/54/03/776495403.db2.gz	HSYYHEPLJHBTLW-OLZOCXBDSA-N	2	0	310.402	-1.048	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2	ZINC001130170364	776495690	/nfs/dbraw/zinc/49/56/90/776495690.db2.gz	XJDDQPWSOKMKSP-UHFFFAOYSA-N	2	0	311.386	-1.237	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12	ZINC001130186930	776496791	/nfs/dbraw/zinc/49/67/91/776496791.db2.gz	MMEFVKVQOHKPFP-WDEREUQCSA-N	2	0	311.386	-1.096	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C	ZINC001130197280	776496934	/nfs/dbraw/zinc/49/69/34/776496934.db2.gz	GGFCVUSUMDYNHX-SNVBAGLBSA-N	2	0	301.391	-1.122	20	0		DAADRP
C[C@H]([NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1)C(N)=O	ZINC001130231650	776498996	/nfs/dbraw/zinc/49/89/96/776498996.db2.gz	AHNOAXRQPYQAMD-NSHDSACASA-N	2	0	300.403	-1.076	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O	ZINC001130303896	776500847	/nfs/dbraw/zinc/50/08/47/776500847.db2.gz	NJKBHHVONTWQQF-NSHDSACASA-N	2	0	306.432	-1.274	20	0		DAADRP
O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158100941	776532872	/nfs/dbraw/zinc/53/28/72/776532872.db2.gz	DCGOBGOKHJZICG-CABZTGNLSA-N	2	0	302.325	-1.078	20	0		DAADRP
Cn1nncc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131520472	776573197	/nfs/dbraw/zinc/57/31/97/776573197.db2.gz	YXBDVTXLVNIMMM-GLWUULTISA-N	2	0	320.397	-1.116	20	0		DAADRP
O=C(C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)NC1CC1	ZINC001131520504	776573299	/nfs/dbraw/zinc/57/32/99/776573299.db2.gz	ZVHOLAWLMUOTSY-RYCVTPFZSA-N	2	0	322.409	-1.166	20	0		DAADRP
CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131519486	776574822	/nfs/dbraw/zinc/57/48/22/776574822.db2.gz	GTAXUOXIWVAUFM-MQYJIDSJSA-N	2	0	310.398	-1.309	20	0		DAADRP
CN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O	ZINC001131521533	776575140	/nfs/dbraw/zinc/57/51/40/776575140.db2.gz	ANKWMBQVYXAHCI-WULFKBJJSA-N	2	0	322.409	-1.214	20	0		DAADRP
COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131519426	776575186	/nfs/dbraw/zinc/57/51/86/776575186.db2.gz	FETZJAHCEVZWRQ-DNCHLWJUSA-N	2	0	313.398	-1.437	20	0		DAADRP
CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)C1	ZINC001132858653	776642996	/nfs/dbraw/zinc/64/29/96/776642996.db2.gz	DKRKTLTWUCPLBT-GFCCVEGCSA-N	2	0	321.443	-1.154	20	0		DAADRP
CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)C1	ZINC001132858654	776643382	/nfs/dbraw/zinc/64/33/82/776643382.db2.gz	DKRKTLTWUCPLBT-LBPRGKRZSA-N	2	0	321.443	-1.154	20	0		DAADRP
CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)C)C1	ZINC001132848368	776643726	/nfs/dbraw/zinc/64/37/26/776643726.db2.gz	GPTBYVHYICJRSR-GFCCVEGCSA-N	2	0	300.403	-1.110	20	0		DAADRP
C[NH+](C)CC1(C(=O)NCC[NH2+]CCNS(C)(=O)=O)CC1	ZINC001132995497	776648335	/nfs/dbraw/zinc/64/83/35/776648335.db2.gz	VNNFCRLADOLAGS-UHFFFAOYSA-N	2	0	306.432	-1.417	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1	ZINC001132992534	776648755	/nfs/dbraw/zinc/64/87/55/776648755.db2.gz	BBRJDEZGORWGOU-UHFFFAOYSA-N	2	0	313.402	-1.120	20	0		DAADRP
C[NH+](C)CCC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O	ZINC001133291259	776663717	/nfs/dbraw/zinc/66/37/17/776663717.db2.gz	NEWKDMQHRUOEOD-NSHDSACASA-N	2	0	314.386	-1.846	20	0		DAADRP
C[NH+](C)CCC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1	ZINC001133297358	776665223	/nfs/dbraw/zinc/66/52/23/776665223.db2.gz	LQBAPPMOJHMIDS-LBPRGKRZSA-N	2	0	320.459	-1.075	20	0		DAADRP
C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NC1CCOCC1	ZINC001133294497	776665655	/nfs/dbraw/zinc/66/56/55/776665655.db2.gz	LCEIRSRKKKCVRF-UHFFFAOYSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1	ZINC001133845341	776678480	/nfs/dbraw/zinc/67/84/80/776678480.db2.gz	BWMWCJQUESDZRA-NSHDSACASA-N	2	0	311.386	-1.414	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CCNS(C)(=O)=O)C1	ZINC001133850669	776678646	/nfs/dbraw/zinc/67/86/46/776678646.db2.gz	PLJGLNMTIYMQMK-NSHDSACASA-N	2	0	306.432	-1.417	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001133850123	776680550	/nfs/dbraw/zinc/68/05/50/776680550.db2.gz	JIXIWWWABGPEOE-QWRGUYRKSA-N	2	0	313.402	-1.122	20	0		DAADRP
C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O	ZINC001133863512	776681591	/nfs/dbraw/zinc/68/15/91/776681591.db2.gz	MXQYEVXIZWYRSV-WDEREUQCSA-N	2	0	311.386	-1.558	20	0		DAADRP
CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)[NH+](C)C	ZINC001133968047	776686465	/nfs/dbraw/zinc/68/64/65/776686465.db2.gz	LSGZAWWPOCORST-ZJUUUORDSA-N	2	0	301.391	-1.124	20	0		DAADRP
CC[C@@H](C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O)[NH+](C)C	ZINC001133966062	776686983	/nfs/dbraw/zinc/68/69/83/776686983.db2.gz	VUOHPWUWMWHYOB-NSHDSACASA-N	2	0	313.402	-1.026	20	0		DAADRP
CN(C)C(=O)C[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1	ZINC001135114547	776734630	/nfs/dbraw/zinc/73/46/30/776734630.db2.gz	HCTIGFYGOVAJPQ-UHFFFAOYSA-N	2	0	310.402	-1.148	20	0		DAADRP
CN1CC[C@@H]([NH2+]CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1=O	ZINC001135118461	776736972	/nfs/dbraw/zinc/73/69/72/776736972.db2.gz	OCEQEJHZSUEHRC-CYBMUJFWSA-N	2	0	322.413	-1.005	20	0		DAADRP
CC[NH+](CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC	ZINC001135513807	776760340	/nfs/dbraw/zinc/76/03/40/776760340.db2.gz	ZFVOHWZZTNOXKP-SNVBAGLBSA-N	2	0	301.391	-1.122	20	0		DAADRP
C[NH+]1CCC(OCC(=O)NCC[NH2+]CCOCCO)CC1	ZINC001135959100	776775950	/nfs/dbraw/zinc/77/59/50/776775950.db2.gz	KOMSIWARHHKYAP-UHFFFAOYSA-N	2	0	303.403	-1.188	20	0		DAADRP
COC[C@H](O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1	ZINC001135959644	776775961	/nfs/dbraw/zinc/77/59/61/776775961.db2.gz	SDCWMMBXMQXUSN-GFCCVEGCSA-N	2	0	303.403	-1.190	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]CCNC(=O)COC1CC[NH+](C)CC1	ZINC001135958527	776776121	/nfs/dbraw/zinc/77/61/21/776776121.db2.gz	BMBLZDVGWOIVCN-LLVKDONJSA-N	2	0	300.403	-1.063	20	0		DAADRP
O=C([C@@H]1C[C@H](NC[C@@H]2C[NH2+]CCO2)C[NH2+]1)N1CCSC1	ZINC001246088088	776787267	/nfs/dbraw/zinc/78/72/67/776787267.db2.gz	ISAQNXKCHXOJNA-SRVKXCTJSA-N	2	0	300.428	-1.172	20	0		DAADRP
CN1CCO[C@H](C(=O)NCCNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001292606699	777937519	/nfs/dbraw/zinc/93/75/19/777937519.db2.gz	BFRSLOJHIGXJSN-LBPRGKRZSA-N	2	0	310.398	-1.355	20	0		DAADRP
CN1CC[NH+](CCCC[NH2+]Cc2cn(CC(N)=O)nn2)CC1	ZINC001308197255	778103348	/nfs/dbraw/zinc/10/33/48/778103348.db2.gz	JHMRCJZPAAUYTK-UHFFFAOYSA-N	2	0	309.418	-1.119	20	0		DAADRP
C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1	ZINC001119634175	779510150	/nfs/dbraw/zinc/51/01/50/779510150.db2.gz	BELAMPIHYDYPKW-CYBMUJFWSA-N	2	0	311.430	-1.582	20	0		DAADRP
[NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1	ZINC001120420644	779519886	/nfs/dbraw/zinc/51/98/86/779519886.db2.gz	MVWOZBRVBFNRSY-LPWJVIDDSA-N	2	0	310.398	-1.181	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1	ZINC001120514989	779523429	/nfs/dbraw/zinc/52/34/29/779523429.db2.gz	MBGXGEVKWUQCCG-QWHCGFSZSA-N	2	0	311.430	-1.454	20	0		DAADRP
CC[NH+]1CCC(NC(=O)C(=O)N2CCNCC[NH2+]CC2)CC1	ZINC001120516224	779525131	/nfs/dbraw/zinc/52/51/31/779525131.db2.gz	CDPCSRYLKPMXFC-UHFFFAOYSA-N	2	0	311.430	-1.392	20	0		DAADRP
CN1CC[NH2+]C[C@H]1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC001121916386	779551266	/nfs/dbraw/zinc/55/12/66/779551266.db2.gz	XJNLVCNXVWGUOQ-OLZOCXBDSA-N	2	0	311.430	-1.406	20	0		DAADRP
CN1CC[NH2+]C[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC001121916385	779552089	/nfs/dbraw/zinc/55/20/89/779552089.db2.gz	XJNLVCNXVWGUOQ-CHWSQXEVSA-N	2	0	311.430	-1.406	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1	ZINC001124867166	779604711	/nfs/dbraw/zinc/60/47/11/779604711.db2.gz	STVTUHLWQRLTIX-STQMWFEESA-N	2	0	312.414	-1.061	20	0		DAADRP
CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001151049620	779669044	/nfs/dbraw/zinc/66/90/44/779669044.db2.gz	UPXRZFGYXRRLAB-LBPRGKRZSA-N	2	0	300.403	-1.203	20	0		DAADRP
CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001151065642	779670988	/nfs/dbraw/zinc/67/09/88/779670988.db2.gz	LTKOJBXYRPCGMK-LBPRGKRZSA-N	2	0	320.459	-1.075	20	0		DAADRP
O=C(C[NH2+]CCNC(=O)C[NH+]1CCCC1)NC[C@H]1CCOC1	ZINC001151101597	779671369	/nfs/dbraw/zinc/67/13/69/779671369.db2.gz	USUUUVREIFKLGB-CYBMUJFWSA-N	2	0	312.414	-1.059	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1	ZINC001151049817	779671394	/nfs/dbraw/zinc/67/13/94/779671394.db2.gz	ZMCWQVLUAGTWAB-OLZOCXBDSA-N	2	0	312.414	-1.061	20	0		DAADRP
CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001151065641	779671506	/nfs/dbraw/zinc/67/15/06/779671506.db2.gz	LTKOJBXYRPCGMK-GFCCVEGCSA-N	2	0	320.459	-1.075	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)C1	ZINC001151056520	779671611	/nfs/dbraw/zinc/67/16/11/779671611.db2.gz	NRWWOJBVHVATIX-STQMWFEESA-N	2	0	312.414	-1.373	20	0		DAADRP
O=C(C[NH+]1CCCC1)NCC[NH2+]CCCN1C(=O)CNC1=O	ZINC001151100739	779671675	/nfs/dbraw/zinc/67/16/75/779671675.db2.gz	GHUNMSPUDZKIQL-UHFFFAOYSA-N	2	0	311.386	-1.270	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)NC(N)=O	ZINC001151160699	779672818	/nfs/dbraw/zinc/67/28/18/779672818.db2.gz	XWOXIHAZFOECDP-JTQLQIEISA-N	2	0	315.374	-2.145	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)N(C)C	ZINC001151159366	779673379	/nfs/dbraw/zinc/67/33/79/779673379.db2.gz	SNIADXCFFPQZHC-LBPRGKRZSA-N	2	0	300.403	-1.251	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCS(C)(=O)=O	ZINC001151156441	779673559	/nfs/dbraw/zinc/67/35/59/779673559.db2.gz	CQHOOWBICIUXII-GFCCVEGCSA-N	2	0	321.443	-1.295	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])c1ccc(N2CC[NH2+]CC2)nn1	ZINC001154765936	779726025	/nfs/dbraw/zinc/72/60/25/779726025.db2.gz	NOZFZZGHCFQLCK-UHFFFAOYSA-N	2	0	300.388	-1.389	20	0		DAADRP
[NH3+]CCc1nnn(-c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)n1	ZINC001156988553	779746954	/nfs/dbraw/zinc/74/69/54/779746954.db2.gz	AIRAEXYCYBHBLB-UHFFFAOYSA-N	2	0	317.357	-1.607	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]C[C@H]1OC(C)=O	ZINC001157335933	779751659	/nfs/dbraw/zinc/75/16/59/779751659.db2.gz	MEIXBBYNFDKMFA-SDDRHHMPSA-N	2	0	314.386	-1.503	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CC[S@@](C)=O	ZINC001157336973	779751772	/nfs/dbraw/zinc/75/17/72/779751772.db2.gz	RVRJFTMGTVDIFE-QDDONVENSA-N	2	0	306.432	-1.558	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1COC2(C[NH2+]C2)CN1	ZINC001157322879	779751824	/nfs/dbraw/zinc/75/18/24/779751824.db2.gz	BMPDUFIEECTVFC-WDEREUQCSA-N	2	0	313.402	-2.323	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)CCCCNC(N)=[NH2+]	ZINC001157334936	779752083	/nfs/dbraw/zinc/75/20/83/779752083.db2.gz	AXOZSUAZJRSWOP-JTQLQIEISA-N	2	0	300.407	-1.000	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1(O)CC[NH+](C)CC1	ZINC001157324313	779752452	/nfs/dbraw/zinc/75/24/52/779752452.db2.gz	VEPQJUVKNATGJD-NSHDSACASA-N	2	0	300.403	-1.197	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CC[S@](C)=O	ZINC001157336974	779752566	/nfs/dbraw/zinc/75/25/66/779752566.db2.gz	RVRJFTMGTVDIFE-VUPYVKPUSA-N	2	0	306.432	-1.558	20	0		DAADRP
[NH3+]CCCC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1O)C(=O)N1CCCC1	ZINC001157380073	779753006	/nfs/dbraw/zinc/75/30/06/779753006.db2.gz	UEVSRLXLTUJOKS-FRRDWIJNSA-N	2	0	312.414	-1.197	20	0		DAADRP
[NH3+]CCCC[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1O)C(=O)N1CCCC1	ZINC001157380072	779753850	/nfs/dbraw/zinc/75/38/50/779753850.db2.gz	UEVSRLXLTUJOKS-AVGNSLFASA-N	2	0	312.414	-1.197	20	0		DAADRP
O=C([C@H]1CCCO1)N1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1	ZINC001157498238	779755882	/nfs/dbraw/zinc/75/58/82/779755882.db2.gz	YFNKVGLSVZUGKY-CHWSQXEVSA-N	2	0	322.409	-1.355	20	0		DAADRP
O=C([C@@H]1CCCO1)N1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1	ZINC001157498241	779756535	/nfs/dbraw/zinc/75/65/35/779756535.db2.gz	YFNKVGLSVZUGKY-STQMWFEESA-N	2	0	322.409	-1.355	20	0		DAADRP
CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001157716174	779757163	/nfs/dbraw/zinc/75/71/63/779757163.db2.gz	MEWNOMOMRRLHOT-RYUDHWBXSA-N	2	0	310.398	-1.451	20	0		DAADRP
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC(C)([NH3+])C1	ZINC001157651342	779757433	/nfs/dbraw/zinc/75/74/33/779757433.db2.gz	MFUJCBNBVOEKGZ-UWVGGRQHSA-N	2	0	311.386	-2.000	20	0		DAADRP
CN(C[C@@H]1C[NH2+]CCO1)C(=O)c1cnc(N2CC[NH2+]CC2)cn1	ZINC001157720417	779757663	/nfs/dbraw/zinc/75/76/63/779757663.db2.gz	IRRMAAQMJZSGPW-LBPRGKRZSA-N	2	0	320.397	-1.053	20	0		DAADRP
CC1([NH3+])CN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1	ZINC001157633213	779757853	/nfs/dbraw/zinc/75/78/53/779757853.db2.gz	LGMDWZUMOXUKNV-SNVBAGLBSA-N	2	0	301.412	-1.040	20	0		DAADRP
C[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)C[C@@H]1[NH3+]	ZINC001157799717	779759013	/nfs/dbraw/zinc/75/90/13/779759013.db2.gz	RDICBRZZEOWMOR-VWYCJHECSA-N	2	0	301.412	-1.041	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[NH2+]C[C@H]1c1ccccc1	ZINC001157973352	779763231	/nfs/dbraw/zinc/76/32/31/779763231.db2.gz	RTYDWINOAJIPSW-UBHSHLNASA-N	2	0	320.393	-1.016	20	0		DAADRP
O=C(C1=NO[C@@]2(CC[NH2+]C2)C1)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158091926	779765450	/nfs/dbraw/zinc/76/54/50/779765450.db2.gz	KKVZMQCLIXOJJE-KGLIPLIRSA-N	2	0	307.354	-1.815	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)N1CCOC2(CC[NH2+]CC2)C1	ZINC001158076552	779765721	/nfs/dbraw/zinc/76/57/21/779765721.db2.gz	JDKBBXJXBWUYRM-NSHDSACASA-N	3	0	302.444	-1.013	20	0		DAADRP
O=C([C@H]1CC[C@H]2[NH2+]CC[C@H]2O1)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158091915	779765873	/nfs/dbraw/zinc/76/58/73/779765873.db2.gz	KBYHQLFGHZILMC-BLTAXRJOSA-N	2	0	308.382	-1.414	20	0		DAADRP
O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158093929	779765961	/nfs/dbraw/zinc/76/59/61/779765961.db2.gz	YSAUCPCAAKDBCD-MFKMUULPSA-N	2	0	309.370	-2.993	20	0		DAADRP
[NH3+][C@H](Cc1cccc(O)c1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158092173	779765991	/nfs/dbraw/zinc/76/59/91/779765991.db2.gz	LRHAJWGTCKMXNI-CZUORRHYSA-N	2	0	318.377	-1.048	20	0		DAADRP
O=C([C@H]1C[NH2+]CC12CCOCC2)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158092612	779766076	/nfs/dbraw/zinc/76/60/76/779766076.db2.gz	OGSAUZBOPSOKHB-MLGOLLRUSA-N	2	0	322.409	-1.307	20	0		DAADRP
Cn1cncc1C[C@H]([NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158091838	779766165	/nfs/dbraw/zinc/76/61/65/779766165.db2.gz	IMKZKBRTNNQKEL-SMDDNHRTSA-N	2	0	306.370	-2.020	20	0		DAADRP
NC(=O)NCCC[C@H]([NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158091458	779766278	/nfs/dbraw/zinc/76/62/78/779766278.db2.gz	CMKYJSPXHGZHCZ-TVQRCGJNSA-N	2	0	312.374	-2.547	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158101525	779766691	/nfs/dbraw/zinc/76/66/91/779766691.db2.gz	JLIPEMZLCOAPLW-RVBZMBCESA-N	2	0	313.358	-3.499	20	0		DAADRP
[NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158102435	779766820	/nfs/dbraw/zinc/76/68/20/779766820.db2.gz	RXLYKEYZZBBGHR-HZMBPMFUSA-N	2	0	309.370	-2.373	20	0		DAADRP
O=C([C@H]1CCC2(C[NH2+]C2)O1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158109885	779766837	/nfs/dbraw/zinc/76/68/37/779766837.db2.gz	FKXUGPKWBWDPKX-BDJLRTHQSA-N	2	0	320.393	-1.555	20	0		DAADRP
O=C([C@@H]1CCC2(C[NH2+]C2)O1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158109889	779767132	/nfs/dbraw/zinc/76/71/32/779767132.db2.gz	FKXUGPKWBWDPKX-MEDUHNTESA-N	2	0	320.393	-1.555	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158100702	779767216	/nfs/dbraw/zinc/76/72/16/779767216.db2.gz	AVQWMOVNAJBTRC-HZMBPMFUSA-N	2	0	309.370	-2.455	20	0		DAADRP
C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158111078	779767235	/nfs/dbraw/zinc/76/72/35/779767235.db2.gz	KBCLCPMKEPOWHW-LRDDRELGSA-N	3	0	323.441	-1.359	20	0		DAADRP
O=C(N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)[C@]12C[NH2+]C[C@H]1CCN2	ZINC001158109784	779767390	/nfs/dbraw/zinc/76/73/90/779767390.db2.gz	CHRJPKJESVKDQE-LYRGGWFBSA-N	2	0	319.409	-2.124	20	0		DAADRP
COC(=O)CC[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158110796	779767432	/nfs/dbraw/zinc/76/74/32/779767432.db2.gz	ISQWWTGLHPXDJY-ZUZCIYMTSA-N	2	0	324.381	-1.795	20	0		DAADRP
O=C([C@@H]1C[NH2+]C[C@@H](O)C1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158110775	779767462	/nfs/dbraw/zinc/76/74/62/779767462.db2.gz	ISHXFTUKXTYHFO-PGUXBMHVSA-N	2	0	308.382	-2.105	20	0		DAADRP
COC(=O)CC[C@@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158110785	779767493	/nfs/dbraw/zinc/76/74/93/779767493.db2.gz	ISQWWTGLHPXDJY-BMIGLBTASA-N	2	0	324.381	-1.795	20	0		DAADRP
[NH3+]CCOCCOCC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158100733	779767531	/nfs/dbraw/zinc/76/75/31/779767531.db2.gz	BFQWUOFKFGILAD-ZDUSSCGKSA-N	2	0	300.359	-2.331	20	0		DAADRP
[NH3+][C@H](C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)C1CCOCC1	ZINC001158118586	779767900	/nfs/dbraw/zinc/76/79/00/779767900.db2.gz	AWHWLEKHIULRPT-LRDDRELGSA-N	2	0	322.409	-1.322	20	0		DAADRP
N[C@H](C[NH3+])c1ccc(C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)cc1	ZINC001158112509	779767960	/nfs/dbraw/zinc/76/79/60/779767960.db2.gz	YYRVAZSOBJUXHR-CJNGLKHVSA-N	2	0	317.393	-1.051	20	0		DAADRP
O=C([C@@H]1C[NH2+]C[C@H](F)C1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158112157	779768147	/nfs/dbraw/zinc/76/81/47/779768147.db2.gz	WFXUSTORJDTOGW-FIXISWKDSA-N	2	0	310.373	-1.128	20	0		DAADRP
O=C(c1n[nH]c2c1C[NH2+]C2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158118883	779768158	/nfs/dbraw/zinc/76/81/58/779768158.db2.gz	DCRNSFDFVVTUNF-HNNXBMFYSA-N	2	0	316.365	-1.435	20	0		DAADRP
C[C@]1(C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CC[NH2+]C[C@H]1O	ZINC001158111118	779768512	/nfs/dbraw/zinc/76/85/12/779768512.db2.gz	KEQLKDJDQHLVHZ-WPGHFRTFSA-N	2	0	322.409	-1.715	20	0		DAADRP
O=C(C[C@]1(O)CCC[NH2+]C1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158111763	779768766	/nfs/dbraw/zinc/76/87/66/779768766.db2.gz	RLJLIGJCYUJOSC-HZPDHXFCSA-N	2	0	322.409	-1.571	20	0		DAADRP
C[C@]1(C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CC[NH2+]C[C@@H]1O	ZINC001158111115	779768789	/nfs/dbraw/zinc/76/87/89/779768789.db2.gz	KEQLKDJDQHLVHZ-PJODQICGSA-N	2	0	322.409	-1.715	20	0		DAADRP
CC1(C)[NH2+][C@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CO1	ZINC001158118614	779768884	/nfs/dbraw/zinc/76/88/84/779768884.db2.gz	BPNSTISZKVMGRS-ZUZCIYMTSA-N	2	0	308.382	-1.351	20	0		DAADRP
O=C([C@@H]1CC[NH2+]C[C@@H]1F)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158121042	779769568	/nfs/dbraw/zinc/76/95/68/779769568.db2.gz	RRUZTQFXHRIYDN-JRPNMDOOSA-N	2	0	310.373	-1.128	20	0		DAADRP
O=C(C1=NO[C@@H]2C[NH2+]C[C@H]12)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158120406	779769587	/nfs/dbraw/zinc/76/95/87/779769587.db2.gz	MDWGCYGTZUIYHE-FEUHOPSXSA-N	2	0	319.365	-2.101	20	0		DAADRP
[NH3+]C1(CC(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CCOCC1	ZINC001158121940	779769952	/nfs/dbraw/zinc/76/99/52/779769952.db2.gz	YMHWCGWHNJYDFJ-MRXNPFEDSA-N	2	0	322.409	-1.178	20	0		DAADRP
[NH3+]CCCC[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158121738	779769973	/nfs/dbraw/zinc/76/99/73/779769973.db2.gz	XDYUPTRDPAVKCN-NHYWBVRUSA-N	3	0	309.414	-1.619	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC2CC1(C[NH3+])C2)C(N)=O	ZINC001158190479	779770757	/nfs/dbraw/zinc/77/07/57/779770757.db2.gz	HEWZWHJLPAVZPG-YIRRWDMUSA-N	2	0	311.386	-1.966	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001158195887	779770773	/nfs/dbraw/zinc/77/07/73/779770773.db2.gz	FWPJPAYNZZNINM-NSHDSACASA-N	2	0	311.386	-1.381	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001158195886	779771519	/nfs/dbraw/zinc/77/15/19/779771519.db2.gz	FWPJPAYNZZNINM-LLVKDONJSA-N	2	0	311.386	-1.381	20	0		DAADRP
O=C([C@@H]1C[NH2+]CCO1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158260473	779772096	/nfs/dbraw/zinc/77/20/96/779772096.db2.gz	DBIYVOSIUIHGJE-NSHDSACASA-N	2	0	306.370	-1.313	20	0		DAADRP
COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2	ZINC001158235454	779772119	/nfs/dbraw/zinc/77/21/19/779772119.db2.gz	KTEJQGSHDFAJJE-RWSFTLGLSA-N	2	0	309.366	-1.557	20	0		DAADRP
O=C([C@H]1[NH2+]CC[C@@H]1O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158276603	779772235	/nfs/dbraw/zinc/77/22/35/779772235.db2.gz	AMEASYWBTZXEBN-JQWIXIFHSA-N	2	0	306.370	-1.578	20	0		DAADRP
O=C([C@H]1C[NH2+]CC[C@H]1O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158260014	779772448	/nfs/dbraw/zinc/77/24/48/779772448.db2.gz	ASWRCCNBRVAJAK-NWDGAFQWSA-N	2	0	320.397	-1.331	20	0		DAADRP
NC1(C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)CC[NH2+]CC1	ZINC001158276884	779773129	/nfs/dbraw/zinc/77/31/29/779773129.db2.gz	GDOFGXYYXGYUNJ-UHFFFAOYSA-N	2	0	319.413	-1.220	20	0		DAADRP
[NH3+][C@H](C(=O)N1CCC2(CC1)COCC(=O)N2)C1CC[NH2+]CC1	ZINC001158326660	779773480	/nfs/dbraw/zinc/77/34/80/779773480.db2.gz	KDYPZMQTCPCQOO-ZDUSSCGKSA-N	2	0	310.398	-1.179	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)CC[N@@H+]1C	ZINC001158381123	779775590	/nfs/dbraw/zinc/77/55/90/779775590.db2.gz	YJZPDBGCPYDHKB-VXGBXAGGSA-N	2	0	320.459	-1.028	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[NH2+]C[C@@H](O)C1	ZINC001158496635	779776263	/nfs/dbraw/zinc/77/62/63/779776263.db2.gz	WAZBVVFYOFRZMA-PJSNJIKXSA-N	2	0	311.382	-1.291	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2	ZINC001158496155	779776509	/nfs/dbraw/zinc/77/65/09/779776509.db2.gz	KNAWXSOOKZPCEX-OSYQSDCSSA-N	2	0	322.409	-1.040	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2	ZINC001158496508	779776788	/nfs/dbraw/zinc/77/67/88/779776788.db2.gz	PXDMDVJFCFHAEJ-QNWHQSFQSA-N	3	0	322.409	-1.453	20	0		DAADRP
O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3	ZINC001158533355	779776831	/nfs/dbraw/zinc/77/68/31/779776831.db2.gz	KSDVHEXOMVZCGV-GNVXKGRQSA-N	2	0	306.410	-1.084	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[NH2+]C[C@H](O)C1	ZINC001158496634	779777148	/nfs/dbraw/zinc/77/71/48/779777148.db2.gz	WAZBVVFYOFRZMA-IEECTRCBSA-N	2	0	311.382	-1.291	20	0		DAADRP
O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3	ZINC001158535649	779777826	/nfs/dbraw/zinc/77/78/26/779777826.db2.gz	YLGWMYFRABOJOF-RSUWNVLCSA-N	2	0	322.409	-1.704	20	0		DAADRP
O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3	ZINC001158535648	779777858	/nfs/dbraw/zinc/77/78/58/779777858.db2.gz	YLGWMYFRABOJOF-NFFDBFGFSA-N	2	0	322.409	-1.704	20	0		DAADRP
[NH3+]C1([C@@H]2CN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)C[C@H]2CF)CC1	ZINC001158568967	779778025	/nfs/dbraw/zinc/77/80/25/779778025.db2.gz	UOTJISPUALJRDF-UTUOFQBUSA-N	2	0	312.389	-1.148	20	0		DAADRP
[NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3	ZINC001158545646	779778084	/nfs/dbraw/zinc/77/80/84/779778084.db2.gz	HRJXGMQBPNGYJF-NFFDBFGFSA-N	2	0	322.409	-1.085	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3	ZINC001158545791	779778180	/nfs/dbraw/zinc/77/81/80/779778180.db2.gz	ILJWUVVTXAQQGK-QHUBEEEXSA-N	2	0	310.398	-1.182	20	0		DAADRP
O=C(N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3)[C@@]12C[NH2+]C[C@@H]1CCN2	ZINC001158535570	779778220	/nfs/dbraw/zinc/77/82/20/779778220.db2.gz	XNBICDIOIYTWIS-YAYDYNKSSA-N	2	0	306.410	-1.083	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1	ZINC001158579428	779778330	/nfs/dbraw/zinc/77/83/30/779778330.db2.gz	SPLRTISFTMTJSG-ZDCRXTMVSA-N	2	0	316.377	-1.654	20	0		DAADRP
[NH3+]C1([C@@H]2CN(C(=O)[C@H]3COC4(C[NH2+]C4)CN3)C[C@H]2CF)CC1	ZINC001158568962	779778338	/nfs/dbraw/zinc/77/83/38/779778338.db2.gz	UOTJISPUALJRDF-IJLUTSLNSA-N	2	0	312.389	-1.148	20	0		DAADRP
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)CC2	ZINC001158890172	779781411	/nfs/dbraw/zinc/78/14/11/779781411.db2.gz	AZYWLKXCQVTWBP-CHWSQXEVSA-N	2	0	324.425	-1.088	20	0		DAADRP
[NH3+]CCC[NH2+]CC(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1	ZINC001158968678	779782881	/nfs/dbraw/zinc/78/28/81/779782881.db2.gz	WEFIMXPLDFDYFO-OLZOCXBDSA-N	2	0	320.397	-1.169	20	0		DAADRP
CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)C[NH2+]CCC[NH3+])C[C@H]21	ZINC001159109430	779787844	/nfs/dbraw/zinc/78/78/44/779787844.db2.gz	VOHWCMYCLHCKRC-FRRDWIJNSA-N	2	0	312.414	-1.076	20	0		DAADRP
C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H]2C[NH2+]C[C@@H]2N)C1	ZINC001159133509	779788326	/nfs/dbraw/zinc/78/83/26/779788326.db2.gz	JFUBKQFGPNPFDO-AVGNSLFASA-N	2	0	306.414	-1.050	20	0		DAADRP
C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H](N)C[NH3+])CC3)CC1	ZINC001159417438	779793966	/nfs/dbraw/zinc/79/39/66/779793966.db2.gz	PHSQVMDTIMKZNK-ZDUSSCGKSA-N	2	0	321.429	-1.741	20	0		DAADRP
CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2	ZINC001159929413	779798449	/nfs/dbraw/zinc/79/84/49/779798449.db2.gz	IROVZAKAVWAPHN-JTQLQIEISA-N	2	0	309.374	-1.677	20	0		DAADRP
Cn1cc(N2C[C@@H]3CN(C(=O)C[NH2+]CCC[NH3+])C[C@@H]3C2=O)cn1	ZINC001160218702	779803015	/nfs/dbraw/zinc/80/30/15/779803015.db2.gz	RMALBPGHJKFBGM-AAEUAGOBSA-N	2	0	320.397	-1.220	20	0		DAADRP
CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2	ZINC001160438757	779806394	/nfs/dbraw/zinc/80/63/94/779806394.db2.gz	CDUZGRAISMFYRO-QWRGUYRKSA-N	2	0	324.381	-1.924	20	0		DAADRP
CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2	ZINC001160438758	779806501	/nfs/dbraw/zinc/80/65/01/779806501.db2.gz	CDUZGRAISMFYRO-WDEREUQCSA-N	2	0	324.381	-1.924	20	0		DAADRP
CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC001160440502	779807220	/nfs/dbraw/zinc/80/72/20/779807220.db2.gz	QWFFRPIPKFFKFP-QWRGUYRKSA-N	2	0	314.386	-1.277	20	0		DAADRP
[NH3+]C1CCN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)CC1	ZINC001160505185	779809262	/nfs/dbraw/zinc/80/92/62/779809262.db2.gz	SJAJQMDFIFOGST-NSHDSACASA-N	2	0	305.386	-1.126	20	0		DAADRP
N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@H]1COC2(C[NH2+]C2)CN1	ZINC001160539423	779811290	/nfs/dbraw/zinc/81/12/90/779811290.db2.gz	SNDNUPLHMCGXCI-CMPLNLGQSA-N	2	0	318.381	-1.242	20	0		DAADRP
CCOC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CCO1	ZINC001160595567	779812034	/nfs/dbraw/zinc/81/20/34/779812034.db2.gz	FKHRPZLFXTWEEI-VHSXEESVSA-N	2	0	305.400	-1.204	20	0		DAADRP
COC(=O)C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCO1	ZINC001160596497	779812045	/nfs/dbraw/zinc/81/20/45/779812045.db2.gz	QDZODSMGNPPNLK-TYNCELHUSA-N	2	0	311.382	-1.024	20	0		DAADRP
C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC(N2CCN(C)C(=O)C2)C1	ZINC001160637287	779812970	/nfs/dbraw/zinc/81/29/70/779812970.db2.gz	TXRBLOHZTKSJKU-ZDUSSCGKSA-N	2	0	311.430	-1.312	20	0		DAADRP
NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)cc1	ZINC001160655920	779814877	/nfs/dbraw/zinc/81/48/77/779814877.db2.gz	RQBAABIVAYRLHQ-FRRDWIJNSA-N	2	0	306.366	-1.424	20	0		DAADRP
CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1	ZINC001160652378	779814917	/nfs/dbraw/zinc/81/49/17/779814917.db2.gz	CITDDOAXVWLYRZ-WHOHXGKFSA-N	2	0	300.403	-1.215	20	0		DAADRP
[NH3+]C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)CCO1	ZINC001160643394	779814982	/nfs/dbraw/zinc/81/49/82/779814982.db2.gz	GOGSMFSPNLWNKU-AVGNSLFASA-N	2	0	310.398	-1.085	20	0		DAADRP
[NH3+][C@@H]1CCN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C[C@@H]1F	ZINC001160647288	779815091	/nfs/dbraw/zinc/81/50/91/779815091.db2.gz	FSTYFSWCCZKRBE-GARJFASQSA-N	2	0	323.376	-1.178	20	0		DAADRP
[NH3+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)C[C@@H]1F	ZINC001160648424	779815102	/nfs/dbraw/zinc/81/51/02/779815102.db2.gz	CYYYAPFRWKDKNZ-KXUCPTDWSA-N	2	0	305.375	-1.339	20	0		DAADRP
[NH3+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)C[C@H]1O	ZINC001160652394	779815582	/nfs/dbraw/zinc/81/55/82/779815582.db2.gz	DAXKFOXCIXRDLT-IVZWLZJFSA-N	2	0	303.384	-2.316	20	0		DAADRP
C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)COC1(C)C	ZINC001160656552	779815723	/nfs/dbraw/zinc/81/57/23/779815723.db2.gz	YQXQAZOTYKOENY-ZRUFSTJUSA-N	2	0	314.386	-1.782	20	0		DAADRP
O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2[nH]c(=O)[nH]c(=O)c2C1	ZINC001160641149	779815737	/nfs/dbraw/zinc/81/57/37/779815737.db2.gz	WMZIZWVDVPDHTQ-VIFPVBQESA-N	2	0	305.338	-1.419	20	0		DAADRP
O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC1)CC(=O)NC(=O)C2	ZINC001160716690	779816351	/nfs/dbraw/zinc/81/63/51/779816351.db2.gz	SXZVUKAXRSSKNV-LLVKDONJSA-N	2	0	320.393	-1.159	20	0		DAADRP
CN(CCC1OCCO1)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001160682640	779816498	/nfs/dbraw/zinc/81/64/98/779816498.db2.gz	HFDJHRYZSPBTJR-GFCCVEGCSA-N	2	0	300.403	-1.042	20	0		DAADRP
CCNC(=O)CO[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1	ZINC001160746277	779817255	/nfs/dbraw/zinc/81/72/55/779817255.db2.gz	FHCMSNBDLNJYJO-QWHCGFSZSA-N	2	0	324.425	-1.061	20	0		DAADRP
CN(C[C@@H]1CCC[NH2+]C1)C(=O)CN(CC[NH3+])S(C)(=O)=O	ZINC001160695719	779817297	/nfs/dbraw/zinc/81/72/97/779817297.db2.gz	PJEGBSQQEIFEJT-LLVKDONJSA-N	2	0	306.432	-1.335	20	0		DAADRP
O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN2C(=O)COC[C@H]2C1	ZINC001160789723	779818576	/nfs/dbraw/zinc/81/85/76/779818576.db2.gz	FDUNYTFQBBTFTA-CHWSQXEVSA-N	2	0	322.409	-1.070	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC2(CC1)CNC(=O)CO2	ZINC001160772011	779818796	/nfs/dbraw/zinc/81/87/96/779818796.db2.gz	LSYZUKWOFSJQGT-JTQLQIEISA-N	2	0	316.427	-1.487	20	0		DAADRP
CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[NH2+]CCO3)C[C@H]1C[NH2+]CC2	ZINC001160811659	779819650	/nfs/dbraw/zinc/81/96/50/779819650.db2.gz	RRLCVVVGVFMCEA-TYNCELHUSA-N	2	0	311.382	-1.024	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H](N)CC[NH3+])C[C@H]1C2	ZINC001160795013	779819706	/nfs/dbraw/zinc/81/97/06/779819706.db2.gz	TUHRIRJECSXFMD-TVEHIPJCSA-N	2	0	310.398	-1.480	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[NH2+]CCN3)C[C@H]1C2	ZINC001160794019	779819763	/nfs/dbraw/zinc/81/97/63/779819763.db2.gz	JQKVIDNIJSEBLV-FSPSUXSGSA-N	2	0	322.409	-1.595	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)C[C@H]1C2	ZINC001160795730	779819906	/nfs/dbraw/zinc/81/99/06/779819906.db2.gz	YOOCSWPORNYNBB-TXACCCEWSA-N	2	0	323.393	-1.576	20	0		DAADRP
C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001160838808	779821618	/nfs/dbraw/zinc/82/16/18/779821618.db2.gz	MAFWNCOXUHGIQO-ZIAGYGMSSA-N	3	0	313.446	-1.474	20	0		DAADRP
C[NH+](C)C[C@@H]1COCCN1C(=O)CN(CC[NH3+])S(C)(=O)=O	ZINC001160838406	779821666	/nfs/dbraw/zinc/82/16/66/779821666.db2.gz	IJWZHVFIVKEUKV-LLVKDONJSA-N	2	0	322.431	-2.004	20	0		DAADRP
O=C(N(c1ncccn1)C1C[NH2+]C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001160915838	779823208	/nfs/dbraw/zinc/82/32/08/779823208.db2.gz	OLGKHKPCPQDYMF-IAQYHMDHSA-N	3	0	302.382	-1.020	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N(c1ncccn1)C1C[NH2+]C1	ZINC001160915512	779823218	/nfs/dbraw/zinc/82/32/18/779823218.db2.gz	BSNBGCMAGRGHLH-CYBMUJFWSA-N	3	0	319.413	-1.468	20	0		DAADRP
CC(C)(C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CC(N)=O	ZINC001160951122	779823298	/nfs/dbraw/zinc/82/32/98/779823298.db2.gz	FPPIDSQHEIBVGL-UHFFFAOYSA-N	2	0	300.403	-1.074	20	0		DAADRP
O=C([C@@H]1NC(=O)CC12C[NH2+]C2)N1CC(O)([C@@H]2CCCC[NH2+]2)C1	ZINC001160999271	779823359	/nfs/dbraw/zinc/82/33/59/779823359.db2.gz	AJVGXUURKDQAKS-JQWIXIFHSA-N	2	0	308.382	-1.820	20	0		DAADRP
NC(=O)NCCC[C@H]([NH3+])C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1	ZINC001160999603	779824764	/nfs/dbraw/zinc/82/47/64/779824764.db2.gz	IDRCAXDAOGCSOE-WDEREUQCSA-N	2	0	313.402	-1.522	20	0		DAADRP
CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1	ZINC001161006912	779825108	/nfs/dbraw/zinc/82/51/08/779825108.db2.gz	GXYCKOVEEOCKGL-YNEHKIRRSA-N	2	0	311.382	-1.147	20	0		DAADRP
COC(=O)[C@@]1(N)CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1	ZINC001161139642	779827903	/nfs/dbraw/zinc/82/79/03/779827903.db2.gz	ZMDRLYSLVHATHE-SMDDNHRTSA-N	2	0	313.402	-2.160	20	0		DAADRP
COC(=O)[C@@]1(N)CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1	ZINC001161138534	779828045	/nfs/dbraw/zinc/82/80/45/779828045.db2.gz	UVBACQYDALKXQF-XHDPSFHLSA-N	2	0	310.398	-1.037	20	0		DAADRP
CCOC(=O)CN(CCC[NH3+])C(=O)[C@H](C)NC(=O)[C@H](C)[NH3+]	ZINC001161157373	779829608	/nfs/dbraw/zinc/82/96/08/779829608.db2.gz	CAMJWQPJOFXSEP-UWVGGRQHSA-N	2	0	302.375	-1.421	20	0		DAADRP
CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]([NH3+])CSCC[NH3+]	ZINC001161157318	779829813	/nfs/dbraw/zinc/82/98/13/779829813.db2.gz	BCCVIPWPKHCWIU-JTQLQIEISA-N	3	0	306.432	-1.254	20	0		DAADRP
[NH3+][C@@H](C(=O)N1CCN(c2ncncn2)CC1)C1CC[NH2+]CC1	ZINC001161247300	779830363	/nfs/dbraw/zinc/83/03/63/779830363.db2.gz	CGBIDRNHKSYKFV-GFCCVEGCSA-N	2	0	305.386	-1.153	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@](F)(C[NH3+])C1)C(N)=O	ZINC001161245050	779830657	/nfs/dbraw/zinc/83/06/57/779830657.db2.gz	BGFUPDHEXPEGEF-RWEMILLDSA-N	2	0	317.365	-2.017	20	0		DAADRP
O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1Cc2ccnn2CC[C@H]1CO	ZINC001161170086	779831416	/nfs/dbraw/zinc/83/14/16/779831416.db2.gz	ISJBDMDINIMKGS-STQMWFEESA-N	2	0	305.382	-1.215	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21)C(N)=O	ZINC001161220689	779831642	/nfs/dbraw/zinc/83/16/42/779831642.db2.gz	FYENDAPXYCXMOR-DSPMHBFJSA-N	2	0	311.386	-2.240	20	0		DAADRP
CCS(=O)(=O)NC1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1	ZINC001161260248	779831996	/nfs/dbraw/zinc/83/19/96/779831996.db2.gz	LUDMVDKYMUUMOK-NSHDSACASA-N	2	0	306.432	-1.017	20	0		DAADRP
CNC(=O)NC1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1	ZINC001161269277	779832131	/nfs/dbraw/zinc/83/21/31/779832131.db2.gz	WIMSHYBHOJCSIK-JTQLQIEISA-N	2	0	303.432	-1.074	20	0		DAADRP
CCS(=O)(=O)NC1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1	ZINC001161260247	779832330	/nfs/dbraw/zinc/83/23/30/779832330.db2.gz	LUDMVDKYMUUMOK-LLVKDONJSA-N	2	0	306.432	-1.017	20	0		DAADRP
COC(=O)[C@@]1(C)COCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001161372831	779833855	/nfs/dbraw/zinc/83/38/55/779833855.db2.gz	LQCDDBOAHJLIDT-KCPJHIHWSA-N	2	0	311.382	-1.024	20	0		DAADRP
[NH3+]C1CCN([C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CCN4)C2)CC1	ZINC001161377236	779833958	/nfs/dbraw/zinc/83/39/58/779833958.db2.gz	GGQQCAWEKDBMAB-BJJXKVORSA-N	2	0	307.442	-1.038	20	0		DAADRP
COC(=O)[C@]1(C)COCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001161372829	779834026	/nfs/dbraw/zinc/83/40/26/779834026.db2.gz	LQCDDBOAHJLIDT-BYCMXARLSA-N	2	0	311.382	-1.024	20	0		DAADRP
COC(=O)[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCN1C(C)=O	ZINC001161297215	779834890	/nfs/dbraw/zinc/83/48/90/779834890.db2.gz	WAZUJUVHPFJRPS-NEPJUHHUSA-N	2	0	324.381	-1.972	20	0		DAADRP
O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CCO[C@@H](C[NH+]2CCCC2)C1	ZINC001161382427	779835265	/nfs/dbraw/zinc/83/52/65/779835265.db2.gz	XNUSTMZQFCHZRO-KBPBESRZSA-N	2	0	324.425	-1.360	20	0		DAADRP
[NH3+]C1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C2)CC1	ZINC001161377591	779835441	/nfs/dbraw/zinc/83/54/41/779835441.db2.gz	IBYQPPNEFFKKKV-CYUUQNCZSA-N	2	0	307.442	-1.040	20	0		DAADRP
[NH3+]C1CCN([C@H]2CCN(C(=O)[C@@H]3NC(=O)CC34C[NH2+]C4)C2)CC1	ZINC001161380355	779835518	/nfs/dbraw/zinc/83/55/18/779835518.db2.gz	UXVRGGTVTPAKCQ-JSGCOSHPSA-N	2	0	321.425	-1.512	20	0		DAADRP
NC(=O)CC[C@H]([NH3+])CC(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1	ZINC001161378279	779835699	/nfs/dbraw/zinc/83/56/99/779835699.db2.gz	LPEVKIDMMDGJKV-QWHCGFSZSA-N	2	0	311.430	-1.007	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1	ZINC001161413632	779835716	/nfs/dbraw/zinc/83/57/16/779835716.db2.gz	RBIXVYIKCDVUTJ-QHZLYTNSSA-N	2	0	311.386	-2.111	20	0		DAADRP
NC(=O)CC[C@H]([NH3+])CC(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1	ZINC001161378284	779836167	/nfs/dbraw/zinc/83/61/67/779836167.db2.gz	LPEVKIDMMDGJKV-STQMWFEESA-N	2	0	311.430	-1.007	20	0		DAADRP
[NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)C[C@H]12	ZINC001161411827	779836287	/nfs/dbraw/zinc/83/62/87/779836287.db2.gz	BEOXOGCKCAWNSS-WRWGMCAJSA-N	2	0	313.423	-1.041	20	0		DAADRP
[NH3+]C1CCN([C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3CCN4)C2)CC1	ZINC001161377246	779836334	/nfs/dbraw/zinc/83/63/34/779836334.db2.gz	GGQQCAWEKDBMAB-XPKDYRNWSA-N	2	0	307.442	-1.038	20	0		DAADRP
[NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3NC(=O)CC34C[NH2+]C4)C2)CC1	ZINC001161380356	779836353	/nfs/dbraw/zinc/83/63/53/779836353.db2.gz	UXVRGGTVTPAKCQ-OCCSQVGLSA-N	2	0	321.425	-1.512	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1	ZINC001161449893	779836802	/nfs/dbraw/zinc/83/68/02/779836802.db2.gz	UZDHEGXCHSYEQM-RWMBFGLXSA-N	3	0	313.446	-1.020	20	0		DAADRP
C[NH+](C)CCN(C(=O)CN1CCNCC1=O)[C@H]1CCC[NH2+]C1	ZINC001161445116	779837040	/nfs/dbraw/zinc/83/70/40/779837040.db2.gz	NYBVBJQFNPVJRY-ZDUSSCGKSA-N	2	0	311.430	-1.440	20	0		DAADRP
C[NH+](C)CCN(C(=O)CN1CCNCC1=O)[C@@H]1CCC[NH2+]C1	ZINC001161445115	779837351	/nfs/dbraw/zinc/83/73/51/779837351.db2.gz	NYBVBJQFNPVJRY-CYBMUJFWSA-N	2	0	311.430	-1.440	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@]1(N)CCC[NH2+]C1)CC2	ZINC001161478107	779838203	/nfs/dbraw/zinc/83/82/03/779838203.db2.gz	KOMNRLCTHWBOBN-CQDKDKBSSA-N	2	0	310.398	-1.179	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@]1(N)CCC[NH2+]C1)CC2	ZINC001161478105	779838296	/nfs/dbraw/zinc/83/82/96/779838296.db2.gz	KOMNRLCTHWBOBN-BYCMXARLSA-N	2	0	310.398	-1.179	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@]1(N)CCC[NH2+]C1)CC2	ZINC001161478110	779838449	/nfs/dbraw/zinc/83/84/49/779838449.db2.gz	KOMNRLCTHWBOBN-UGFHNGPFSA-N	2	0	310.398	-1.179	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1C[NH2+]C[C@H](O)C1)CC2	ZINC001161477775	779838893	/nfs/dbraw/zinc/83/88/93/779838893.db2.gz	JCEQRZIWTWMWNH-BLTAXRJOSA-N	2	0	311.382	-1.290	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)CC2	ZINC001161478740	779839050	/nfs/dbraw/zinc/83/90/50/779839050.db2.gz	NXDWAROVEZWPIJ-DJUFWWRVSA-N	2	0	322.409	-1.310	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1COC3)CC2	ZINC001161477030	779839261	/nfs/dbraw/zinc/83/92/61/779839261.db2.gz	GMIWGEMPOVHBEP-APYUEPQZSA-N	2	0	323.393	-1.024	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1C[NH2+]CCC1=O)CC2	ZINC001161478371	779839345	/nfs/dbraw/zinc/83/93/45/779839345.db2.gz	MCRVJFUMYNINKQ-GMXABZIVSA-N	2	0	309.366	-1.081	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@]13C[NH2+][C@@H](CO1)C3)CC2	ZINC001161478084	779839355	/nfs/dbraw/zinc/83/93/55/779839355.db2.gz	KIZFTZHPFRGHPT-HKCMKHECSA-N	2	0	309.366	-1.129	20	0		DAADRP
COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])Cn1cccn1)CC2	ZINC001161479649	779839359	/nfs/dbraw/zinc/83/93/59/779839359.db2.gz	QJEAKRPJSGIICC-SLEUVZQESA-N	2	0	321.381	-1.036	20	0		DAADRP
COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)C1=NO[C@@H]3C[NH2+]C[C@H]13)CC2	ZINC001161480880	779840307	/nfs/dbraw/zinc/84/03/07/779840307.db2.gz	VPXWMWFVUKUKLH-MYQWFSQQSA-N	2	0	322.365	-1.286	20	0		DAADRP
CO[C@@H]1CN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C[C@@H]1[NH3+]	ZINC001161492618	779840363	/nfs/dbraw/zinc/84/03/63/779840363.db2.gz	RVLSDBPHVNGGMO-OUAUKWLOSA-N	2	0	321.385	-1.891	20	0		DAADRP
C[N@H+](C1CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1)[C@H]1CCOC1	ZINC001161499100	779840492	/nfs/dbraw/zinc/84/04/92/779840492.db2.gz	NRHSDTAIDDAKDK-AAEUAGOBSA-N	2	0	310.398	-1.752	20	0		DAADRP
CO[C@@H]1CN(C(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)[NH3+])C[C@@H]1[NH3+]	ZINC001161493385	779840524	/nfs/dbraw/zinc/84/05/24/779840524.db2.gz	MRNGGQFHTRJVGM-XWLWVQCSSA-N	2	0	314.386	-1.518	20	0		DAADRP
CO[C@@H]1CN(C(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)C[C@@H]1[NH3+]	ZINC001161491735	779840584	/nfs/dbraw/zinc/84/05/84/779840584.db2.gz	IZIPZALCLKLLKL-GRYCIOLGSA-N	2	0	320.397	-1.286	20	0		DAADRP
CO[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])C[C@@H]1[NH3+]	ZINC001161493251	779840757	/nfs/dbraw/zinc/84/07/57/779840757.db2.gz	HSTHEWPQPHYRSJ-MELADBBJSA-N	2	0	320.393	-1.143	20	0		DAADRP
COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)/C=C/C(=O)NCC[NH3+])CC2	ZINC001161481892	779840781	/nfs/dbraw/zinc/84/07/81/779840781.db2.gz	ZHNZHNXADISDBT-OMHDXBGXSA-N	2	0	324.381	-1.629	20	0		DAADRP
COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)C1(O)CC[NH2+]CC1)CC2	ZINC001161481806	779840875	/nfs/dbraw/zinc/84/08/75/779840875.db2.gz	YXINZOAHKHHVDQ-SMDDNHRTSA-N	2	0	311.382	-1.146	20	0		DAADRP
CO[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1[NH3+]	ZINC001161493030	779841197	/nfs/dbraw/zinc/84/11/97/779841197.db2.gz	ADFAPURXPJSYLU-ZDEQEGDKSA-N	2	0	310.398	-1.086	20	0		DAADRP
[NH3+][C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)CC12COC2	ZINC001161511174	779841811	/nfs/dbraw/zinc/84/18/11/779841811.db2.gz	YAWKKBPAFTYHOO-UWVGGRQHSA-N	2	0	315.395	-2.051	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[NH2+]C2(CC2)C1)C(N)=O	ZINC001161550524	779842119	/nfs/dbraw/zinc/84/21/19/779842119.db2.gz	LSJKPVMPJJBOLD-VHSXEESVSA-N	2	0	311.386	-1.952	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2	ZINC001161789120	779846256	/nfs/dbraw/zinc/84/62/56/779846256.db2.gz	GMKBHHJWIFVAFD-UHFFFAOYSA-N	2	0	311.386	-1.094	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])c1cnc(O[C@@H]2CC[NH2+]C2)nc1	ZINC001162128700	779850372	/nfs/dbraw/zinc/85/03/72/779850372.db2.gz	JDVQBFVURATVRX-SNVBAGLBSA-N	2	0	301.372	-1.058	20	0		DAADRP
COc1c(C2C[NH2+]C2)ncnc1N(CC[NH3+])S(C)(=O)=O	ZINC001162126817	779850735	/nfs/dbraw/zinc/85/07/35/779850735.db2.gz	LZSDRYYQJJWOAR-UHFFFAOYSA-N	2	0	301.372	-1.103	20	0		DAADRP
O=C1C[C@H]2[NH2+]CC[C@]2(Nc2nccc(N3CC[NH2+]CC3)n2)N1	ZINC001163241064	779865621	/nfs/dbraw/zinc/86/56/21/779865621.db2.gz	YRMYBIMKLABPJU-QMTHXVAHSA-N	2	0	303.370	-1.124	20	0		DAADRP
CN(c1nccnc1N1CC[NH2+]CC1)S(=O)(=O)CC[NH3+]	ZINC001164288566	779878347	/nfs/dbraw/zinc/87/83/47/779878347.db2.gz	RBGYXJZXVWARMR-UHFFFAOYSA-N	2	0	300.388	-1.389	20	0		DAADRP
COC(=O)[C@@H]1C[NH2+]CCN1c1cncc(N2CC[NH2+]CC2)n1	ZINC001165438577	779883762	/nfs/dbraw/zinc/88/37/62/779883762.db2.gz	HJGIIPXKPWLCMP-NSHDSACASA-N	2	0	306.370	-1.163	20	0		DAADRP
C[NH+]1CCC(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)CC1	ZINC001165776273	779888022	/nfs/dbraw/zinc/88/80/22/779888022.db2.gz	FSTQJAYPFSUOAM-UHFFFAOYSA-N	2	0	320.459	-1.027	20	0		DAADRP
CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001166004730	779889237	/nfs/dbraw/zinc/88/92/37/779889237.db2.gz	VEBPTEKCIURHET-LLVKDONJSA-N	2	0	301.391	-1.137	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C	ZINC001166708782	779891739	/nfs/dbraw/zinc/89/17/39/779891739.db2.gz	WAMRILRHZLLRMD-WDEREUQCSA-N	2	0	313.402	-1.264	20	0		DAADRP
C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001166707251	779891803	/nfs/dbraw/zinc/89/18/03/779891803.db2.gz	FBBVFOXUUCGTHM-QWRGUYRKSA-N	2	0	310.402	-1.098	20	0		DAADRP
C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O	ZINC001166691819	779892055	/nfs/dbraw/zinc/89/20/55/779892055.db2.gz	NXGUCKDSHNRYJD-NEPJUHHUSA-N	2	0	320.459	-1.171	20	0		DAADRP
COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1cncc(N2CC[NH2+]CC2)n1	ZINC001166963317	779896378	/nfs/dbraw/zinc/89/63/78/779896378.db2.gz	JWVCVGNOXKZBJB-MNOVXSKESA-N	2	0	306.370	-1.035	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001207683989	779923322	/nfs/dbraw/zinc/92/33/22/779923322.db2.gz	JCDPMRNJWCNATF-WDEREUQCSA-N	2	0	311.386	-1.144	20	0		DAADRP
CC[N@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C	ZINC001210033549	779958796	/nfs/dbraw/zinc/95/87/96/779958796.db2.gz	SYGKMUXVQFWMLV-GHMZBOCLSA-N	2	0	313.402	-1.040	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001210684446	779962894	/nfs/dbraw/zinc/96/28/94/779962894.db2.gz	GLBXTJWFMMMTIQ-NSHDSACASA-N	2	0	323.397	-1.142	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001211065748	779966573	/nfs/dbraw/zinc/96/65/73/779966573.db2.gz	ZDLWAZXCYAUUIA-WDEREUQCSA-N	2	0	311.386	-1.286	20	0		DAADRP
COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1	ZINC001213378235	779976436	/nfs/dbraw/zinc/97/64/36/779976436.db2.gz	IIBXKVGVPPTDKQ-JHJVBQTASA-N	2	0	303.403	-1.239	20	0		DAADRP
CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1	ZINC001213857809	779984866	/nfs/dbraw/zinc/98/48/66/779984866.db2.gz	XHBIMJJPHBYXCU-BFHYXJOUSA-N	2	0	315.414	-1.238	20	0		DAADRP
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NC(N)=O	ZINC001214335943	779993964	/nfs/dbraw/zinc/99/39/64/779993964.db2.gz	OJZWVNAKVZTFPG-MXWKQRLJSA-N	2	0	311.386	-1.288	20	0		DAADRP
C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NC(N)=O	ZINC001214335942	779993997	/nfs/dbraw/zinc/99/39/97/779993997.db2.gz	OJZWVNAKVZTFPG-GMTAPVOTSA-N	2	0	311.386	-1.288	20	0		DAADRP
C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCNS(C)(=O)=O	ZINC001215463108	780008141	/nfs/dbraw/zinc/00/81/41/780008141.db2.gz	IBZLSVVLJLRCQA-VXGBXAGGSA-N	2	0	320.459	-1.076	20	0		DAADRP
C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC(N)=O	ZINC001215421342	780008892	/nfs/dbraw/zinc/00/88/92/780008892.db2.gz	BZJNLWLTBRBWHY-GHMZBOCLSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[C@H]([NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(N)=O	ZINC001216402203	780013190	/nfs/dbraw/zinc/01/31/90/780013190.db2.gz	XXGPGYWETCWJJI-GRYCIOLGSA-N	2	0	300.403	-1.125	20	0		DAADRP
[NH3+]CCOCCOCCOCCO[C@@H]1C[N@@H+]2C[C@H]1NCC2	ZINC001217803620	780027865	/nfs/dbraw/zinc/02/78/65/780027865.db2.gz	FVVYXORSXOHGLP-ZIAGYGMSSA-N	2	0	303.403	-1.333	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1[nH]nc2nccnc21	ZINC001218568113	780032753	/nfs/dbraw/zinc/03/27/53/780032753.db2.gz	MPDYWCDIDSKYAJ-VIFPVBQESA-N	2	0	304.358	-1.007	20	0		DAADRP
Cc1noc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1C(N)=O	ZINC001218551041	780033907	/nfs/dbraw/zinc/03/39/07/780033907.db2.gz	AJQVCWJXWRSZCJ-VIFPVBQESA-N	2	0	310.358	-1.229	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cnn(C2C[NH2+]C2)c1	ZINC001218640213	780036889	/nfs/dbraw/zinc/03/68/89/780036889.db2.gz	GQACAJZRVKSHGH-ZDUSSCGKSA-N	3	0	307.402	-1.284	20	0		DAADRP
CSc1[nH]nc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1C(N)=O	ZINC001218639226	780037030	/nfs/dbraw/zinc/03/70/30/780037030.db2.gz	ZUHIWYOFVZQPBX-ZCFIWIBFSA-N	2	0	310.383	-1.022	20	0		DAADRP
COC(=O)Cn1cc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cn1	ZINC001218612356	780037788	/nfs/dbraw/zinc/03/77/88/780037788.db2.gz	SKRNICGOPCVGLG-LBPRGKRZSA-N	2	0	324.385	-1.255	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1cncc(C[NH3+])c1	ZINC001218705411	780039945	/nfs/dbraw/zinc/03/99/45/780039945.db2.gz	PXAOYNOOVQBRBQ-UHFFFAOYSA-N	2	0	301.372	-1.301	20	0		DAADRP
Cc1cnn(CCO)c1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001218750586	780041158	/nfs/dbraw/zinc/04/11/58/780041158.db2.gz	TUGUGDAZGNCABV-LBPRGKRZSA-N	2	0	310.402	-1.127	20	0		DAADRP
NS(=O)(=O)c1cncc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1	ZINC001218750779	780041249	/nfs/dbraw/zinc/04/12/49/780041249.db2.gz	LLBGWADLBPBQEU-JTQLQIEISA-N	2	0	311.367	-1.524	20	0		DAADRP
Cc1cnn(CCO)c1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001218750584	780041744	/nfs/dbraw/zinc/04/17/44/780041744.db2.gz	TUGUGDAZGNCABV-GFCCVEGCSA-N	2	0	310.402	-1.127	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2	ZINC001219029949	780046309	/nfs/dbraw/zinc/04/63/09/780046309.db2.gz	VSLAQUFGINXMCP-CABZTGNLSA-N	2	0	322.365	-1.069	20	0		DAADRP
CC[NH+](CC)CCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+]	ZINC001219555704	780116399	/nfs/dbraw/zinc/11/63/99/780116399.db2.gz	NXZPJNBBXGMWOT-UWVGGRQHSA-N	2	0	301.391	-1.848	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])C(=O)[C@H](N)CN1CCC([NH3+])CC1	ZINC001219595990	780121862	/nfs/dbraw/zinc/12/18/62/780121862.db2.gz	ZGURWCPTQGEXAK-SNVBAGLBSA-N	2	0	307.420	-2.516	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)N(CC[NH3+])S(C)(=O)=O	ZINC001219595992	780122347	/nfs/dbraw/zinc/12/23/47/780122347.db2.gz	ZIRGSSZUFMBHTL-UHFFFAOYSA-N	2	0	316.405	-3.046	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(CC[NH3+])S(C)(=O)=O	ZINC001219595768	780122452	/nfs/dbraw/zinc/12/24/52/780122452.db2.gz	OPGUCJLJZZQELD-BQBZGAKWSA-N	2	0	323.375	-3.559	20	0		DAADRP
O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1COC2(C[NH2+]C2)CN1	ZINC001219611135	780123453	/nfs/dbraw/zinc/12/34/53/780123453.db2.gz	WHNOXDZWOSSQPA-KWQFWETISA-N	2	0	308.304	-1.273	20	0		DAADRP
O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1NC(=O)CC12C[NH2+]C2	ZINC001219609765	780124179	/nfs/dbraw/zinc/12/41/79/780124179.db2.gz	DHEIYIULCSHFAK-KWQFWETISA-N	2	0	306.288	-1.125	20	0		DAADRP
O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1NC(=O)CC12C[NH2+]C2	ZINC001219617273	780124771	/nfs/dbraw/zinc/12/47/71/780124771.db2.gz	JJUSDVPYPNTDSJ-IYYTYJHQSA-N	2	0	300.334	-2.357	20	0		DAADRP
O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001219618158	780125629	/nfs/dbraw/zinc/12/56/29/780125629.db2.gz	WXJCXQMMOLWMCT-ZMJPVWNMSA-N	3	0	300.378	-1.636	20	0		DAADRP
O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[NH2+]Cc2ccnn2C1	ZINC001219615884	780125755	/nfs/dbraw/zinc/12/57/55/780125755.db2.gz	HMDQSNZEOSEFDZ-SCDSUCTJSA-N	2	0	311.361	-1.219	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F	ZINC001219621722	780126532	/nfs/dbraw/zinc/12/65/32/780126532.db2.gz	FVPYQZPJVHFWRN-MBNYWOFBSA-N	3	0	317.409	-2.085	20	0		DAADRP
CN(CC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1CCC[NH2+]C1	ZINC001219619386	780127050	/nfs/dbraw/zinc/12/70/50/780127050.db2.gz	GLXIKQGUWSIMRO-SGMGOOAPSA-N	2	0	302.394	-1.151	20	0		DAADRP
CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F	ZINC001219620032	780127258	/nfs/dbraw/zinc/12/72/58/780127258.db2.gz	ULUIKIKHHPCBQC-COPLHBTASA-N	2	0	318.393	-1.345	20	0		DAADRP
CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F	ZINC001219621567	780127461	/nfs/dbraw/zinc/12/74/61/780127461.db2.gz	CTFAEMRXSMCNHX-MRBYEJRBSA-N	2	0	303.334	-1.684	20	0		DAADRP
CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F	ZINC001219621566	780127477	/nfs/dbraw/zinc/12/74/77/780127477.db2.gz	CTFAEMRXSMCNHX-MPPDQPJWSA-N	2	0	303.334	-1.684	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1	ZINC001219650113	780128422	/nfs/dbraw/zinc/12/84/22/780128422.db2.gz	MLEOIMAYCXEOEZ-MMWGEVLESA-N	2	0	313.402	-1.944	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1	ZINC001219650115	780128681	/nfs/dbraw/zinc/12/86/81/780128681.db2.gz	MLEOIMAYCXEOEZ-RCWTZXSCSA-N	2	0	313.402	-1.944	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1	ZINC001219650114	780129345	/nfs/dbraw/zinc/12/93/45/780129345.db2.gz	MLEOIMAYCXEOEZ-NAKRPEOUSA-N	2	0	313.402	-1.944	20	0		DAADRP
[NH3+]CCC[C@@H]([NH3+])C(=O)NCCS(=O)(=O)N1CCNCC1	ZINC001219676125	780130371	/nfs/dbraw/zinc/13/03/71/780130371.db2.gz	ADULBLQZAPUTPU-SNVBAGLBSA-N	2	0	307.420	-2.596	20	0		DAADRP
[NH3+]CCC[NH2+]CC(=O)NCCS(=O)(=O)N1CCNCC1	ZINC001219678519	780134813	/nfs/dbraw/zinc/13/48/13/780134813.db2.gz	RFVRELDKMBELFU-UHFFFAOYSA-N	2	0	307.420	-2.724	20	0		DAADRP
O=C(NCCC1(O)C[NH2+]C1)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2	ZINC001219694513	780135867	/nfs/dbraw/zinc/13/58/67/780135867.db2.gz	KHUYZYSBQWQUEB-LBPRGKRZSA-N	2	0	319.409	-1.025	20	0		DAADRP
C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCCC2(O)C[NH2+]C2)COC1(C)C	ZINC001219697055	780136760	/nfs/dbraw/zinc/13/67/60/780136760.db2.gz	PSFLBTZCUIVEER-UWVGGRQHSA-N	2	0	314.386	-1.862	20	0		DAADRP
O=C(N[C@@H]1C[NH2+]C[C@H]1O)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O	ZINC001219713969	780137622	/nfs/dbraw/zinc/13/76/22/780137622.db2.gz	BQBBHRDAFOYXTM-AAVRWANBSA-N	2	0	316.361	-1.452	20	0		DAADRP
[NH3+][C@H]1COC[C@H]1NC(=O)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2	ZINC001219721008	780137886	/nfs/dbraw/zinc/13/78/86/780137886.db2.gz	XSVINEUUDIHJJZ-GARJFASQSA-N	2	0	306.370	-1.629	20	0		DAADRP
[NH3+][C@H]1COC[C@H]1NC(=O)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2	ZINC001219720645	780138012	/nfs/dbraw/zinc/13/80/12/780138012.db2.gz	OEQBFIGJGMFOFB-SDDRHHMPSA-N	2	0	305.382	-1.024	20	0		DAADRP
[NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1COC[C@@H]1[NH3+]	ZINC001219720699	780138018	/nfs/dbraw/zinc/13/80/18/780138018.db2.gz	PITJGAOJGBEWCW-RWMBFGLXSA-N	2	0	306.366	-1.485	20	0		DAADRP
[NH3+][C@H]1COC[C@H]1NC(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O	ZINC001219719919	780138045	/nfs/dbraw/zinc/13/80/45/780138045.db2.gz	AJVKIWZBKOYVDI-IGQOVBAYSA-N	2	0	316.361	-1.059	20	0		DAADRP
CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CC2(C[NH2+]C2)CO1	ZINC001219736123	780140005	/nfs/dbraw/zinc/14/00/05/780140005.db2.gz	BARDJQTWSMFNIW-NEPJUHHUSA-N	2	0	312.414	-1.029	20	0		DAADRP
[NH3+][C@@H](Cc1cnc[nH]1)C(=O)NCc1nnc2n1CCC[NH2+]C2	ZINC001219746929	780140615	/nfs/dbraw/zinc/14/06/15/780140615.db2.gz	ORVCYRUCIPQOQT-JTQLQIEISA-N	2	0	304.358	-1.319	20	0		DAADRP
O=C(NCc1nnc2n1CCC[NH2+]C2)C1=NO[C@@H]2C[NH2+]C[C@H]12	ZINC001219748778	780140998	/nfs/dbraw/zinc/14/09/98/780140998.db2.gz	BRLXOFQMBLQEDY-DTWKUNHWSA-N	2	0	305.342	-1.638	20	0		DAADRP
O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1NC(=O)CC12C[NH2+]C2	ZINC001219741358	780141092	/nfs/dbraw/zinc/14/10/92/780141092.db2.gz	HYVRUPOWQQOISB-AAEUAGOBSA-N	2	0	322.409	-1.118	20	0		DAADRP
O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1COC2(C[NH2+]C2)CN1	ZINC001219741797	780141782	/nfs/dbraw/zinc/14/17/82/780141782.db2.gz	UTPWIOZYKPIXSN-CHWSQXEVSA-N	2	0	324.425	-1.266	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1	ZINC001219739043	780141799	/nfs/dbraw/zinc/14/17/99/780141799.db2.gz	GABSUDSSXCRTKH-OLZOCXBDSA-N	3	0	311.430	-1.769	20	0		DAADRP
O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1COC2(C[NH2+]C2)CN1	ZINC001219750031	780142993	/nfs/dbraw/zinc/14/29/93/780142993.db2.gz	VCSZYYHUBXHUCB-JTQLQIEISA-N	2	0	321.385	-2.282	20	0		DAADRP
O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1C[NH2+]CC12C[NH2+]C2	ZINC001219748993	780143218	/nfs/dbraw/zinc/14/32/18/780143218.db2.gz	GSPBSCGEIPYYMH-JTQLQIEISA-N	3	0	305.386	-1.803	20	0		DAADRP
NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1	ZINC001219765094	780144285	/nfs/dbraw/zinc/14/42/85/780144285.db2.gz	UTEXHURFZLIUGY-GRYCIOLGSA-N	2	0	312.418	-1.828	20	0		DAADRP
Cn1cncc1C[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1	ZINC001219764234	780144497	/nfs/dbraw/zinc/14/44/97/780144497.db2.gz	BHGFUOJWUPDLPH-XBFCOCLRSA-N	2	0	306.414	-1.300	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@@]1(F)CCC[NH2+]C1	ZINC001219768946	780146489	/nfs/dbraw/zinc/14/64/89/780146489.db2.gz	REEUIRNAJRPFAU-LLVKDONJSA-N	2	0	310.395	-1.585	20	0		DAADRP
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1	ZINC001219766602	780146965	/nfs/dbraw/zinc/14/69/65/780146965.db2.gz	XYFSWFLOSQJWRH-XJFOESAGSA-N	2	0	324.425	-1.205	20	0		DAADRP
COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1	ZINC001219802653	780147421	/nfs/dbraw/zinc/14/74/21/780147421.db2.gz	YUQRVYWFUNFSSL-XQQFMLRXSA-N	2	0	315.414	-1.361	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)NCC[C@H]1CCOC12C[NH2+]C2	ZINC001219800979	780148557	/nfs/dbraw/zinc/14/85/57/780148557.db2.gz	PQWMFZBBZUTTQX-QWRGUYRKSA-N	3	0	302.444	-1.110	20	0		DAADRP
[NH3+]CCC[C@H]([NH3+])C(=O)NCc1cc(=O)n2c(n1)CNCCC2	ZINC001219802808	780148888	/nfs/dbraw/zinc/14/88/88/780148888.db2.gz	CSGMGKGTMPIAHB-NSHDSACASA-N	2	0	308.386	-1.581	20	0		DAADRP
O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1C[NH2+]Cc2ccnn2C1	ZINC001219812521	780150955	/nfs/dbraw/zinc/15/09/55/780150955.db2.gz	DDRIINRBFYNRPQ-HUBLWGQQSA-N	2	0	305.382	-1.045	20	0		DAADRP
COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1	ZINC001219814128	780151107	/nfs/dbraw/zinc/15/11/07/780151107.db2.gz	UCOGAIJTRUJWFX-MJBXVCDLSA-N	2	0	315.414	-1.361	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H]1C[NH2+]Cc2ccsc21	ZINC001219826738	780152131	/nfs/dbraw/zinc/15/21/31/780152131.db2.gz	UVSNAPFFPFHVKC-HGNGGELXSA-N	2	0	312.395	-1.167	20	0		DAADRP
CC(=O)NCSC[C@H]([NH3+])C(=O)NC[C@]12C[NH2+]C[C@H]1COC2	ZINC001219812899	780152125	/nfs/dbraw/zinc/15/21/25/780152125.db2.gz	KLFHPFOSUYRXLI-GVXVVHGQSA-N	2	0	316.427	-1.507	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1noc2c1C[NH2+]CC2	ZINC001219811638	780152252	/nfs/dbraw/zinc/15/22/52/780152252.db2.gz	XOELHLUGUWFBNE-LBPRGKRZSA-N	3	0	322.413	-1.313	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2	ZINC001219814379	780152598	/nfs/dbraw/zinc/15/25/98/780152598.db2.gz	BNEUUYIUGSKBAW-LNSITVRQSA-N	3	0	311.430	-1.911	20	0		DAADRP
O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1	ZINC001219834910	780153437	/nfs/dbraw/zinc/15/34/37/780153437.db2.gz	UJZVOPBPQFGFFS-SRTKAIALSA-N	2	0	324.425	-1.552	20	0		DAADRP
[NH3+]CCC[C@H]([NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219834741	780153490	/nfs/dbraw/zinc/15/34/90/780153490.db2.gz	SSPZYTGLYORDJE-OBJOEFQTSA-N	3	0	300.403	-1.436	20	0		DAADRP
CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1	ZINC001219831334	780153544	/nfs/dbraw/zinc/15/35/44/780153544.db2.gz	GXULEEZTLMOQCT-NDBYEHHHSA-N	2	0	312.414	-1.031	20	0		DAADRP
[NH3+][C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219833342	780153560	/nfs/dbraw/zinc/15/35/60/780153560.db2.gz	CCQDRARTRBEHJU-CORIIIEPSA-N	2	0	323.397	-1.209	20	0		DAADRP
O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]CC[C@H]1O	ZINC001219835256	780153680	/nfs/dbraw/zinc/15/36/80/780153680.db2.gz	ZXCGBDFYBAJHOE-COMQUAJESA-N	2	0	313.398	-1.532	20	0		DAADRP
[NH3+]CC(=O)NCC(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219835088	780153722	/nfs/dbraw/zinc/15/37/22/780153722.db2.gz	WLMAZDARBZRGAZ-GWCFXTLKSA-N	2	0	300.359	-2.427	20	0		DAADRP
[NH3+][C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219833347	780153771	/nfs/dbraw/zinc/15/37/71/780153771.db2.gz	CCQDRARTRBEHJU-OSAQELSMSA-N	2	0	323.397	-1.209	20	0		DAADRP
CC(C)(O)[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219834312	780153791	/nfs/dbraw/zinc/15/37/91/780153791.db2.gz	PKTTUIOLBKENPJ-GYSYKLTISA-N	2	0	301.387	-1.404	20	0		DAADRP
O=C(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219838027	780154608	/nfs/dbraw/zinc/15/46/08/780154608.db2.gz	NUJJMXKLFBOSTJ-VNHYZAJKSA-N	2	0	313.398	-1.124	20	0		DAADRP
NC1(C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)CC[NH2+]CC1	ZINC001219837804	780154619	/nfs/dbraw/zinc/15/46/19/780154619.db2.gz	MBYRCFOFOHRLIS-GXTWGEPZSA-N	2	0	312.414	-1.421	20	0		DAADRP
C[NH2+][C@H](C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H](C)O	ZINC001219837486	780154662	/nfs/dbraw/zinc/15/46/62/780154662.db2.gz	JXGNGQUKYIBDCJ-OWTLIXCDSA-N	2	0	301.387	-1.534	20	0		DAADRP
O=C(CN1CC[NH2+]CC1)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219838213	780154813	/nfs/dbraw/zinc/15/48/13/780154813.db2.gz	OTEJVJNOTVHAKZ-ZFWWWQNUSA-N	2	0	312.414	-1.597	20	0		DAADRP
O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]CCC1=O	ZINC001219839442	780154933	/nfs/dbraw/zinc/15/49/33/780154933.db2.gz	ZVFAZPINFMNYDD-TYNCELHUSA-N	2	0	311.382	-1.324	20	0		DAADRP
[NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219836782	780155128	/nfs/dbraw/zinc/15/51/28/780155128.db2.gz	FBFNYRRANNJEAT-VNHYZAJKSA-N	3	0	314.430	-1.046	20	0		DAADRP
O=C(C[C@H]1C[NH2+]CCO1)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219838026	780155438	/nfs/dbraw/zinc/15/54/38/780155438.db2.gz	NUJJMXKLFBOSTJ-KCQAQPDRSA-N	2	0	313.398	-1.124	20	0		DAADRP
O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001219849969	780155837	/nfs/dbraw/zinc/15/58/37/780155837.db2.gz	KGWXWNDCQHYXJL-OJKRMQCYSA-N	3	0	308.426	-1.074	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12	ZINC001219849939	780156113	/nfs/dbraw/zinc/15/61/13/780156113.db2.gz	JTXLYYFRCNQODH-AJBSGBCOSA-N	2	0	300.359	-2.554	20	0		DAADRP
C[S@](=O)CC[C@H]([NH3+])C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21	ZINC001219852468	780157685	/nfs/dbraw/zinc/15/76/85/780157685.db2.gz	SMIHLZSFNJMYSL-WAADRCCGSA-N	2	0	303.428	-1.177	20	0		DAADRP
CCOC(=O)C1(C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)C[NH2+]C1	ZINC001219851809	780157763	/nfs/dbraw/zinc/15/77/63/780157763.db2.gz	GGRFTOWZLFGLIQ-SDDRHHMPSA-N	2	0	311.382	-1.120	20	0		DAADRP
COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CN1	ZINC001219967952	780167245	/nfs/dbraw/zinc/16/72/45/780167245.db2.gz	QBPXFBFOHHBKRM-UTUOFQBUSA-N	2	0	313.402	-2.244	20	0		DAADRP
CCn1c(N)c(NC(=O)[C@H]([NH3+])CCC[NH3+])c(=O)n(CC)c1=O	ZINC001219971794	780167565	/nfs/dbraw/zinc/16/75/65/780167565.db2.gz	BLEKNGQUDADJOP-MRVPVSSYSA-N	2	0	312.374	-1.363	20	0		DAADRP
COC(=O)C1(NC(=O)COCCOCC[NH3+])CC[NH2+]CC1	ZINC001220001164	780168580	/nfs/dbraw/zinc/16/85/80/780168580.db2.gz	JLXGAPJLLPDHEU-UHFFFAOYSA-N	2	0	303.359	-1.610	20	0		DAADRP
COC(=O)C1(NC(=O)[C@@H]([NH3+])CCCNC(N)=O)CC[NH2+]CC1	ZINC001219999072	780169365	/nfs/dbraw/zinc/16/93/65/780169365.db2.gz	JNTAKRQAORHVGU-VIFPVBQESA-N	2	0	315.374	-1.826	20	0		DAADRP
COC(=O)C1(NC(=O)[C@@H]([NH3+])CSCC[NH3+])CC[NH2+]CC1	ZINC001220001100	780169505	/nfs/dbraw/zinc/16/95/05/780169505.db2.gz	HPWKNIPDLOUOCM-VIFPVBQESA-N	3	0	304.416	-1.583	20	0		DAADRP
CN1CC(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1	ZINC001220013241	780170938	/nfs/dbraw/zinc/17/09/38/780170938.db2.gz	MVXKIYXLEWWRAQ-STQMWFEESA-N	2	0	311.430	-1.136	20	0		DAADRP
CCOC(=O)c1nnc(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)o1	ZINC001220011047	780171119	/nfs/dbraw/zinc/17/11/19/780171119.db2.gz	PULARYIXVNTVAD-MRVPVSSYSA-N	2	0	309.326	-1.329	20	0		DAADRP
Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001220045421	780174066	/nfs/dbraw/zinc/17/40/66/780174066.db2.gz	YSXSFVHBOAETFP-GFCCVEGCSA-N	3	0	307.402	-1.480	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)n1ccc(C[NH3+])cc1=N	ZINC001220045342	780174151	/nfs/dbraw/zinc/17/41/51/780174151.db2.gz	WORINPDUXIPBSE-UHFFFAOYSA-N	2	0	301.372	-1.713	20	0		DAADRP
CS(=O)(=O)N1CC(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1	ZINC001220145587	780185908	/nfs/dbraw/zinc/18/59/08/780185908.db2.gz	HSTSJGZWZDGDJP-LLVKDONJSA-N	2	0	316.427	-1.379	20	0		DAADRP
[NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(C[NH3+])COC1	ZINC001220156731	780186083	/nfs/dbraw/zinc/18/60/83/780186083.db2.gz	IAJDBTYPGPTLII-LBPRGKRZSA-N	2	0	306.366	-1.484	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC1CC(CO)(CO)C1	ZINC001220151901	780186584	/nfs/dbraw/zinc/18/65/84/780186584.db2.gz	LTJZAIHWAFUZSU-LBPRGKRZSA-N	2	0	300.403	-2.014	20	0		DAADRP
C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC1CN(S(C)(=O)=O)C1	ZINC001220145687	780186998	/nfs/dbraw/zinc/18/69/98/780186998.db2.gz	MFNKGZPTQRMZSG-NSHDSACASA-N	2	0	306.432	-1.194	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1	ZINC001220166501	780188404	/nfs/dbraw/zinc/18/84/04/780188404.db2.gz	COKPKWJMGZIQNR-OXIQGZBJSA-N	2	0	312.414	-1.151	20	0		DAADRP
COc1ccnc(C(=N)NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)n1	ZINC001220183270	780189876	/nfs/dbraw/zinc/18/98/76/780189876.db2.gz	KERQVZVJNQONPW-SNVBAGLBSA-N	2	0	321.385	-1.323	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C	ZINC001220221047	780190963	/nfs/dbraw/zinc/19/09/63/780190963.db2.gz	OWUCBNSJIHWYBH-BJDJZHNGSA-N	2	0	300.403	-1.200	20	0		DAADRP
C[N@@H+]1CCC[C@H]1CCNC(=O)CN(CC[NH3+])S(C)(=O)=O	ZINC001220252059	780196704	/nfs/dbraw/zinc/19/67/04/780196704.db2.gz	MZTOZYCMMICAJO-NSHDSACASA-N	2	0	306.432	-1.193	20	0		DAADRP
CN(C)S(=O)(=O)CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1	ZINC001220268320	780197326	/nfs/dbraw/zinc/19/73/26/780197326.db2.gz	CZTRKSQBSQGNBN-LLVKDONJSA-N	2	0	318.443	-1.132	20	0		DAADRP
O=C(N[C@H]1CC[NH2+]C1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2	ZINC001220283491	780200008	/nfs/dbraw/zinc/20/00/08/780200008.db2.gz	WZAIIKQJOUIRLE-WDEREUQCSA-N	2	0	301.412	-1.121	20	0		DAADRP
C[N@@H+]1CCCN(CCNC(=O)[C@H]([NH3+])CCCNC(N)=O)CC1	ZINC001220303912	780200422	/nfs/dbraw/zinc/20/04/22/780200422.db2.gz	IUDPNQKOGIFUGN-GFCCVEGCSA-N	2	0	314.434	-1.484	20	0		DAADRP
[NH3+]CCNC(=O)/C=C/C(=O)NCc1ncn2c1C[NH2+]CCC2	ZINC001220311306	780201399	/nfs/dbraw/zinc/20/13/99/780201399.db2.gz	MBZCEPLAZUJUFI-NSCUHMNNSA-N	2	0	306.370	-1.376	20	0		DAADRP
NC(=O)NCCC[C@H]([NH3+])C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2	ZINC001220315206	780201729	/nfs/dbraw/zinc/20/17/29/780201729.db2.gz	AOAUSPIQEVMWAR-UHIISALHSA-N	2	0	313.402	-1.211	20	0		DAADRP
O=C(NCc1ncn2c1C[NH2+]CCC2)[C@H]1COC2(C[NH2+]C2)CN1	ZINC001220310450	780201953	/nfs/dbraw/zinc/20/19/53/780201953.db2.gz	AQGWPIZBYNUPNA-GFCCVEGCSA-N	2	0	320.397	-1.677	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2	ZINC001220320789	780202873	/nfs/dbraw/zinc/20/28/73/780202873.db2.gz	PIESAPGSKXLRRX-XUJVJEKNSA-N	2	0	310.398	-1.118	20	0		DAADRP
[NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cn[nH]n1	ZINC001220329353	780202879	/nfs/dbraw/zinc/20/28/79/780202879.db2.gz	NDWHTDOSQBTQJR-RYUDHWBXSA-N	2	0	323.401	-1.132	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2	ZINC001220319603	780203133	/nfs/dbraw/zinc/20/31/33/780203133.db2.gz	HYJJUFVFYRZPDE-RMIALFOJSA-N	2	0	314.386	-2.162	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC(C)(C)CC[NH+](C)C	ZINC001220386043	780209377	/nfs/dbraw/zinc/20/93/77/780209377.db2.gz	HNKOLCRNJRXGMU-UWVGGRQHSA-N	2	0	315.418	-1.460	20	0		DAADRP
NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NC[C@H]2COCC[NH2+]2)cc1	ZINC001220428911	780213423	/nfs/dbraw/zinc/21/34/23/780213423.db2.gz	HJWOFRMEYMRFMZ-STQMWFEESA-N	2	0	306.366	-1.240	20	0		DAADRP
CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1COCC[NH2+]1	ZINC001220431463	780213851	/nfs/dbraw/zinc/21/38/51/780213851.db2.gz	HIWPSYQUBCFVTP-QWRGUYRKSA-N	2	0	316.402	-1.650	20	0		DAADRP
[NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC001220431704	780214092	/nfs/dbraw/zinc/21/40/92/780214092.db2.gz	NIKBJRJPTIWRKI-KGLIPLIRSA-N	2	0	320.393	-1.223	20	0		DAADRP
O=C(NC[C@H]1COCC[NH2+]1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2	ZINC001220428673	780214308	/nfs/dbraw/zinc/21/43/08/780214308.db2.gz	CJBDBHJZEZAUIS-VHSXEESVSA-N	2	0	303.384	-2.132	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC001220431900	780214516	/nfs/dbraw/zinc/21/45/16/780214516.db2.gz	SPFTUBYNDMNUER-CIUDSAMLSA-N	2	0	301.347	-3.202	20	0		DAADRP
CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@]2(N)CCC[NH2+]C2)O1	ZINC001220481853	780218528	/nfs/dbraw/zinc/21/85/28/780218528.db2.gz	SYUBGIYWCQFSIS-NMKXLXIOSA-N	2	0	300.403	-1.092	20	0		DAADRP
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NCCOCCOCC[NH3+]	ZINC001220519231	780221140	/nfs/dbraw/zinc/22/11/40/780221140.db2.gz	HFTDTUOYOQJAEB-VXGBXAGGSA-N	2	0	317.386	-1.507	20	0		DAADRP
COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2	ZINC001220514830	780221293	/nfs/dbraw/zinc/22/12/93/780221293.db2.gz	VRKYWTQJBPCKPE-SSDOTTSWSA-N	2	0	307.310	-1.284	20	0		DAADRP
[NH3+]CCOCCOCCNC(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1	ZINC001220519470	780222948	/nfs/dbraw/zinc/22/29/48/780222948.db2.gz	PCYCDXMLDLLMMD-RWMBFGLXSA-N	2	0	301.387	-1.139	20	0		DAADRP
[NH3+]CCOCCOCCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1	ZINC001220519644	780223176	/nfs/dbraw/zinc/22/31/76/780223176.db2.gz	WLGLRMWDESOSHR-CYBMUJFWSA-N	2	0	314.430	-1.031	20	0		DAADRP
[NH3+]CCOCCOCCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001220519265	780223337	/nfs/dbraw/zinc/22/33/37/780223337.db2.gz	ILOQSWMMFGHANV-TZMCWYRMSA-N	3	0	300.403	-1.706	20	0		DAADRP
CCOC(=O)CN(CC[NH3+])C(=O)CN1CCCC[C@H]([NH3+])C1=O	ZINC001220583492	780229949	/nfs/dbraw/zinc/22/99/49/780229949.db2.gz	NCPFIZNHPVFDBY-NSHDSACASA-N	2	0	314.386	-1.323	20	0		DAADRP
CCOC(=O)CN(CC[NH3+])C(=O)CNC(=O)[C@@H]([NH3+])[C@@H](C)CC	ZINC001220585385	780232754	/nfs/dbraw/zinc/23/27/54/780232754.db2.gz	JCQQAGHIQDSWLN-GWCFXTLKSA-N	2	0	316.402	-1.174	20	0		DAADRP
C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1	ZINC001220642484	780237496	/nfs/dbraw/zinc/23/74/96/780237496.db2.gz	DCHJVDMAGASTGH-BNOWGMLFSA-N	2	0	315.414	-1.361	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cccnc1C[NH3+]	ZINC001220714607	780241988	/nfs/dbraw/zinc/24/19/88/780241988.db2.gz	RLUIIACFPGQROO-CBAPKCEASA-N	2	0	308.342	-1.814	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1	ZINC001220755567	780243683	/nfs/dbraw/zinc/24/36/83/780243683.db2.gz	QOHRDTONVCEQLX-MJBXVCDLSA-N	2	0	315.414	-1.502	20	0		DAADRP
COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2	ZINC001220770495	780247688	/nfs/dbraw/zinc/24/76/88/780247688.db2.gz	XQGIHURZQHMSEE-NWDGAFQWSA-N	2	0	321.381	-1.571	20	0		DAADRP
COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1	ZINC001220806410	780248820	/nfs/dbraw/zinc/24/88/20/780248820.db2.gz	BQGYCJMPYHSOGN-MCIONIFRSA-N	2	0	317.430	-1.113	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O	ZINC001220831353	780249892	/nfs/dbraw/zinc/24/98/92/780249892.db2.gz	WMXSPTLIOHMYMU-OLZOCXBDSA-N	2	0	310.402	-1.219	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC)C[C@@H]1O	ZINC001220828854	780250021	/nfs/dbraw/zinc/25/00/21/780250021.db2.gz	FTMNRPQTRPUYMR-TUAOUCFPSA-N	2	0	300.403	-1.376	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]C[C@@H]2OC(C)=O)C[NH2+]C1	ZINC001220830170	780250712	/nfs/dbraw/zinc/25/07/12/780250712.db2.gz	QIQNHZJANCSQCF-PWSUYJOCSA-N	2	0	311.338	-1.326	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CC[S@@](C)=O)C[NH2+]C1	ZINC001220829110	780250827	/nfs/dbraw/zinc/25/08/27/780250827.db2.gz	XVDMXTPTIUOALW-GWNMQOMSSA-N	2	0	303.384	-1.381	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@@H]1O	ZINC001220830803	780251484	/nfs/dbraw/zinc/25/14/84/780251484.db2.gz	JABPRTLAJUYBGF-AGIUHOORSA-N	2	0	312.414	-1.280	20	0		DAADRP
CCOC(=O)C1(NC(=O)[C@@H]2C[NH2+]Cc3ccnn3C2)C[NH2+]C1	ZINC001220849210	780252636	/nfs/dbraw/zinc/25/26/36/780252636.db2.gz	WFQWHHZODVYXGU-SNVBAGLBSA-N	2	0	307.354	-1.376	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@@H](C[NH3+])C(C)(C)C)C(N)=O	ZINC001220860074	780252916	/nfs/dbraw/zinc/25/29/16/780252916.db2.gz	ZLIYTEWWIJZXDM-AEJSXWLSSA-N	2	0	315.418	-1.427	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCN1CCNCC1=O	ZINC001220875088	780255374	/nfs/dbraw/zinc/25/53/74/780255374.db2.gz	SCHBMBQQJOUUBL-LBPRGKRZSA-N	2	0	312.418	-2.715	20	0		DAADRP
O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2	ZINC001220881717	780256042	/nfs/dbraw/zinc/25/60/42/780256042.db2.gz	NVCUCWRVUFSLCT-MNOVXSKESA-N	2	0	305.386	-1.208	20	0		DAADRP
[NH3+]CCN(CCNC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)N(O)N=O	ZINC001220900229	780256072	/nfs/dbraw/zinc/25/60/72/780256072.db2.gz	DUTKBPKKKATMRB-VIFPVBQESA-N	2	0	300.323	-2.056	20	0		DAADRP
O=C(NCCO[C@H]1CC[NH2+]C1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2	ZINC001220936135	780260853	/nfs/dbraw/zinc/26/08/53/780260853.db2.gz	CVAUDJLNMTXOCZ-WDEREUQCSA-N	2	0	317.411	-1.742	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)n1cc(C[NH3+])cnc1=N	ZINC001220950686	780262762	/nfs/dbraw/zinc/26/27/62/780262762.db2.gz	CHDUFFSISSHHRQ-XPUUQOCRSA-N	2	0	309.330	-2.831	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O	ZINC001220981545	780266419	/nfs/dbraw/zinc/26/64/19/780266419.db2.gz	WSHCYDSBDFEQLO-MJBXVCDLSA-N	2	0	315.414	-1.502	20	0		DAADRP
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@]2(N)CC[NH2+]C2)CC1	ZINC001221007182	780268098	/nfs/dbraw/zinc/26/80/98/780268098.db2.gz	YYCGHYMGCYDOLP-LALPHHSUSA-N	2	0	311.430	-1.218	20	0		DAADRP
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2N)CC1	ZINC001221006362	780269334	/nfs/dbraw/zinc/26/93/34/780269334.db2.gz	FKSFOSZNYNDMNZ-CYDGBPFRSA-N	2	0	311.430	-1.362	20	0		DAADRP
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@]2(N)CC[NH2+]C2)CC1	ZINC001221007181	780269365	/nfs/dbraw/zinc/26/93/65/780269365.db2.gz	YYCGHYMGCYDOLP-HUBLWGQQSA-N	2	0	311.430	-1.218	20	0		DAADRP
COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1	ZINC001221006672	780269554	/nfs/dbraw/zinc/26/95/54/780269554.db2.gz	LDVLDZJWBLPNFS-JHJVBQTASA-N	2	0	324.425	-1.015	20	0		DAADRP
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1	ZINC001221006320	780269641	/nfs/dbraw/zinc/26/96/41/780269641.db2.gz	DZLFOILFXYTHNG-CYDGBPFRSA-N	2	0	312.414	-1.186	20	0		DAADRP
COC(=O)CC[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])C(N)=O	ZINC001221018971	780270599	/nfs/dbraw/zinc/27/05/99/780270599.db2.gz	NLOZFJXCZVBTIU-YUMQZZPRSA-N	2	0	306.388	-2.071	20	0		DAADRP
COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1	ZINC001221089523	780275675	/nfs/dbraw/zinc/27/56/75/780275675.db2.gz	JUHNQGHTQUSWDN-UPJWGTAASA-N	2	0	303.403	-1.505	20	0		DAADRP
COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1C[NH2+]Cc2ccnn2C1	ZINC001221188090	780282269	/nfs/dbraw/zinc/28/22/69/780282269.db2.gz	NPGJIZINGSZXJA-PWSUYJOCSA-N	2	0	309.370	-1.001	20	0		DAADRP
COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])CCCNC(N)=O	ZINC001221187637	780282289	/nfs/dbraw/zinc/28/22/89/780282289.db2.gz	CQZZWNIQEQJIGO-IUCAKERBSA-N	2	0	303.363	-1.841	20	0		DAADRP
COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1C[NH2+]C[C@H]1OC(C)=O	ZINC001221190400	780283452	/nfs/dbraw/zinc/28/34/52/780283452.db2.gz	MDRHAROVWHZQRW-GARJFASQSA-N	2	0	301.343	-1.466	20	0		DAADRP
COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1C[NH2+]C[C@@H]1OC(C)=O	ZINC001221190399	780284448	/nfs/dbraw/zinc/28/44/48/780284448.db2.gz	MDRHAROVWHZQRW-DCAQKATOSA-N	2	0	301.343	-1.466	20	0		DAADRP
C[C@@]1([NH3+])C[C@H](NC(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C1	ZINC001221239068	780286436	/nfs/dbraw/zinc/28/64/36/780286436.db2.gz	ISLFLLSVLJGLBW-BREBYQMCSA-N	2	0	305.386	-1.080	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)NCCN1CCCS1(=O)=O	ZINC001221335576	780291169	/nfs/dbraw/zinc/29/11/69/780291169.db2.gz	IAXOESNJMUVRHN-VIFPVBQESA-N	2	0	310.445	-1.843	20	0		DAADRP
C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCN1CCCS1(=O)=O	ZINC001221338103	780292308	/nfs/dbraw/zinc/29/23/08/780292308.db2.gz	XVSGLKAOYDHULY-NSHDSACASA-N	2	0	306.432	-1.145	20	0		DAADRP
COc1cccc([C@H](C[NH3+])NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)c1	ZINC001221405085	780292581	/nfs/dbraw/zinc/29/25/81/780292581.db2.gz	PWBYOHVCIFOQBL-XDTLVQLUSA-N	2	0	324.381	-1.365	20	0		DAADRP
CNC(=O)CN1CCC(NC(=O)COCC[NH+](C)C)CC1	ZINC001230048599	780360912	/nfs/dbraw/zinc/36/09/12/780360912.db2.gz	JDKKIGODPYHXAN-UHFFFAOYSA-N	2	0	300.403	-1.109	20	0		DAADRP
O=C1NCCN(Cc2ccc(N3CC[NH2+]CC3)nc2)C12C[NH2+]C2	ZINC001235067901	780414586	/nfs/dbraw/zinc/41/45/86/780414586.db2.gz	CFUYEHBJVZFXMB-UHFFFAOYSA-N	2	0	316.409	-1.235	20	0		DAADRP
N[C@H]1NC(CN(CCC[NH3+])CC(=O)NCCC[NH3+])=CS1	ZINC001236310467	780420091	/nfs/dbraw/zinc/42/00/91/780420091.db2.gz	ZGHOIQGWLKSMIV-LBPRGKRZSA-N	2	0	302.448	-1.478	20	0		DAADRP
c1c(CN2CC[NH2+]CCNCC[NH2+]CC2)nc2n1CCNC2	ZINC001235872020	780420331	/nfs/dbraw/zinc/42/03/31/780420331.db2.gz	VJXIDJWWYGZRPF-UHFFFAOYSA-N	2	0	307.446	-1.429	20	0		DAADRP
Cc1[nH]c(=O)[nH]c(=O)c1CN1CC[NH2+]CCNCC[NH2+]CC1	ZINC001235870262	780420376	/nfs/dbraw/zinc/42/03/76/780420376.db2.gz	IZVVWSPWSAOAKB-UHFFFAOYSA-N	2	0	310.402	-1.219	20	0		DAADRP
O=C1CN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CC2(CC[NH2+]CC2)N1	ZINC001239014341	780440634	/nfs/dbraw/zinc/44/06/34/780440634.db2.gz	AYADCHAVCOJVAS-SNVBAGLBSA-N	2	0	302.400	-1.768	20	0		DAADRP
O=S(=O)(CC1CC[NH2+]CC1)N1CCN[C@@]2(CC[NH2+]C2)C1	ZINC001239032590	780440845	/nfs/dbraw/zinc/44/08/45/780440845.db2.gz	OIKXPXWUHLVLBH-CYBMUJFWSA-N	2	0	302.444	-1.047	20	0		DAADRP
O=S(=O)([C@@H]1CC[NH2+]C1)N1CCO[C@]2(C1)C[NH2+]CCOC2	ZINC001239023693	780441017	/nfs/dbraw/zinc/44/10/17/780441017.db2.gz	SXWFMONCVHQZSY-NEPJUHHUSA-N	2	0	305.400	-1.631	20	0		DAADRP
[NH3+]CCN(CC[NH3+])S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001239097345	780442661	/nfs/dbraw/zinc/44/26/61/780442661.db2.gz	QAHNZQYSRFTMLA-UHFFFAOYSA-N	2	0	319.778	-1.314	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)[C@@H]1CC[NH2+]C1	ZINC001239130821	780443169	/nfs/dbraw/zinc/44/31/69/780443169.db2.gz	GMELMGDNPISWGF-LLVKDONJSA-N	3	0	321.447	-2.206	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(S(=O)(=O)CC[NH3+])C[C@H]1C2	ZINC001239110403	780443312	/nfs/dbraw/zinc/44/33/12/780443312.db2.gz	KFUKAWTUGUNLAV-XZUYRWCXSA-N	2	0	317.411	-1.395	20	0		DAADRP
COC(=O)CS(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+]	ZINC001239131335	780443413	/nfs/dbraw/zinc/44/34/13/780443413.db2.gz	MIZRPSHFDHRSRK-UHFFFAOYSA-N	2	0	324.403	-2.395	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@H]1CN(S(=O)(=O)[C@@H]1CC[NH2+]C1)CC2	ZINC001239171974	780443875	/nfs/dbraw/zinc/44/38/75/780443875.db2.gz	DRFRQOPKWLMGSB-MDZLAQPJSA-N	2	0	317.411	-1.095	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)CCCF	ZINC001239131854	780443886	/nfs/dbraw/zinc/44/38/86/780443886.db2.gz	WFXLIXOPBQBVAT-UHFFFAOYSA-N	2	0	312.411	-1.208	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ncc[n-]1	ZINC001239131344	780443977	/nfs/dbraw/zinc/44/39/77/780443977.db2.gz	MOZDPTIWAGZCMH-UHFFFAOYSA-N	2	0	318.403	-1.786	20	0		DAADRP
COC(=O)[C@H](N)[C@H]1CCCN(S(=O)(=O)[C@H]2CC[NH2+]C2)C1	ZINC001239131090	780444040	/nfs/dbraw/zinc/44/40/40/780444040.db2.gz	ZORDKBIZOJQQKY-GARJFASQSA-N	2	0	305.400	-1.110	20	0		DAADRP
CCOC(=O)CC1(NC[C@H](O)CC2(O)CC[NH2+]CC2)C[NH2+]C1	ZINC001245995137	780447757	/nfs/dbraw/zinc/44/77/57/780447757.db2.gz	PNNDAQUODXUGGF-GFCCVEGCSA-N	2	0	315.414	-1.263	20	0		DAADRP
COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)CN1	ZINC001245981892	780447891	/nfs/dbraw/zinc/44/78/91/780447891.db2.gz	CXHSBMJLTOUJNX-SRVKXCTJSA-N	2	0	301.387	-1.655	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@@H](O)CN1CCOCC1	ZINC001246020282	780448005	/nfs/dbraw/zinc/44/80/05/780448005.db2.gz	NTNCPNMAMGSVTO-OLZOCXBDSA-N	2	0	302.419	-1.487	20	0		DAADRP
O=S(=O)(CC[NH2+]CC1(O)CC[NH2+]CC1)N1CCNCC1	ZINC001245990340	780448061	/nfs/dbraw/zinc/44/80/61/780448061.db2.gz	IKAKBGRMCREUQQ-UHFFFAOYSA-N	2	0	306.432	-2.075	20	0		DAADRP
O[C@H](C[N@@H+]1CCNC2(CC[NH2+]CC2)C1)CC1(O)CC[NH2+]CC1	ZINC001246033314	780448090	/nfs/dbraw/zinc/44/80/90/780448090.db2.gz	UZNJLJXMITVXPA-AWEZNQCLSA-N	3	0	312.458	-1.121	20	0		DAADRP
[NH3+]C1CCN(CC[NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)CC1	ZINC001246004265	780448113	/nfs/dbraw/zinc/44/81/13/780448113.db2.gz	BIXKMRXFCIJSLI-AWEZNQCLSA-N	3	0	300.447	-1.135	20	0		DAADRP
COC(=O)[C@H]1C[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CCN1	ZINC001246039479	780448176	/nfs/dbraw/zinc/44/81/76/780448176.db2.gz	MWWGFWOEGWJEHI-VXGBXAGGSA-N	2	0	301.387	-1.701	20	0		DAADRP
O=C1CNCCN1CC[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1	ZINC001246008651	780448259	/nfs/dbraw/zinc/44/82/59/780448259.db2.gz	DIIPAYVWLJQBBE-LBPRGKRZSA-N	2	0	300.403	-2.127	20	0		DAADRP
COC(=O)[C@@H](NC[C@H](O)CC1(O)CC[NH2+]CC1)C(C)(C)[NH3+]	ZINC001245980873	780448278	/nfs/dbraw/zinc/44/82/78/780448278.db2.gz	OVWIMEIUBJHLKA-GHMZBOCLSA-N	2	0	303.403	-1.280	20	0		DAADRP
CCOC(=O)C1(NC[C@H](O)CC2(O)CC[NH2+]CC2)C[NH2+]C1	ZINC001246011729	780448283	/nfs/dbraw/zinc/44/82/83/780448283.db2.gz	SZKRJPDPWAKBAB-LLVKDONJSA-N	2	0	301.387	-1.653	20	0		DAADRP
COC(=O)[C@H](NC[C@@H](O)CC1(O)CC[NH2+]CC1)[C@@H]1CC[NH2+]C1	ZINC001246016195	780448449	/nfs/dbraw/zinc/44/84/49/780448449.db2.gz	SWSQAGZPCMRPDJ-FRRDWIJNSA-N	2	0	315.414	-1.407	20	0		DAADRP
COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)CN1	ZINC001245981894	780448535	/nfs/dbraw/zinc/44/85/35/780448535.db2.gz	CXHSBMJLTOUJNX-UTUOFQBUSA-N	2	0	301.387	-1.655	20	0		DAADRP
CC[NH+](CC)C[C@@H](O)CN(CCC[NH3+])CC(=O)NCCC[NH3+]	ZINC001246054818	780449321	/nfs/dbraw/zinc/44/93/21/780449321.db2.gz	QGPPHPVHFRQMOU-CQSZACIVSA-N	3	0	317.478	-1.195	20	0		DAADRP
COC(=O)C1(N)CC[NH+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC1	ZINC001246046357	780449383	/nfs/dbraw/zinc/44/93/83/780449383.db2.gz	QXQRNIRTMYANKP-GFCCVEGCSA-N	2	0	315.414	-1.182	20	0		DAADRP
CCCOC[C@@H](O)CN(CCC[NH3+])CC(=O)NCCC[NH3+]	ZINC001246050853	780449751	/nfs/dbraw/zinc/44/97/51/780449751.db2.gz	GJILDIBUVHXHEX-ZDUSSCGKSA-N	2	0	304.435	-1.110	20	0		DAADRP
COC(=O)[C@@]1(N)CC[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1	ZINC001246056435	780449820	/nfs/dbraw/zinc/44/98/20/780449820.db2.gz	VPGUEGDCPBYALS-BXUZGUMPSA-N	2	0	301.387	-1.572	20	0		DAADRP
O=C([C@@H]1C[C@H]([NH2+]CCC2(O)C[NH2+]C2)CN1)N1CCSC1	ZINC001246109223	780451240	/nfs/dbraw/zinc/45/12/40/780451240.db2.gz	ADDPUFGHAMMBIA-QWRGUYRKSA-N	2	0	300.428	-1.436	20	0		DAADRP
COC(=O)[C@H]1C[C@H]([NH2+]C[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)CN1	ZINC001246147604	780451405	/nfs/dbraw/zinc/45/14/05/780451405.db2.gz	YUNOGQLLGXGBSG-QVHKTLOISA-N	2	0	313.398	-1.125	20	0		DAADRP
O=S1(=O)CC[C@H]([NH2+][C@@H]2CCOC3(C[NH2+]C3)C2)C12CNC2	ZINC001246151385	780451591	/nfs/dbraw/zinc/45/15/91/780451591.db2.gz	YKHCYWXWXFQOMQ-MNOVXSKESA-N	2	0	301.412	-1.374	20	0		DAADRP
[NH3+]CCOCCOCCOCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1	ZINC001246288056	780452060	/nfs/dbraw/zinc/45/20/60/780452060.db2.gz	LILXMYQXTDHGNX-AWEZNQCLSA-N	3	0	316.446	-1.322	20	0		DAADRP
O=C([C@@H]1C[C@H](NC[C@]2(O)CCC[NH2+]C2)C[NH2+]1)N1CCSC1	ZINC001246226139	780452357	/nfs/dbraw/zinc/45/23/57/780452357.db2.gz	FRFWGLWISVRXKH-OBJOEFQTSA-N	2	0	314.455	-1.046	20	0		DAADRP
O=C([C@@H]1C[C@H](N[C@H]2C[NH2+][C@@H](CO)C2)C[NH2+]1)N1CCSC1	ZINC001246261082	780452678	/nfs/dbraw/zinc/45/26/78/780452678.db2.gz	JPPYKLVDOFCOIK-KXNHARMFSA-N	2	0	300.428	-1.438	20	0		DAADRP
O=C([C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C[C@@H]2O)C[NH2+]1)N1CCSC1	ZINC001246217462	780452908	/nfs/dbraw/zinc/45/29/08/780452908.db2.gz	GSCIGAKMTYFATI-WYUUTHIRSA-N	2	0	300.428	-1.438	20	0		DAADRP
COC(=O)[C@H]1C[C@@H]([NH2+]CCOCCOCCOCC[NH3+])CN1	ZINC001246289181	780453113	/nfs/dbraw/zinc/45/31/13/780453113.db2.gz	NVGSNLHBBJJXKX-CHWSQXEVSA-N	2	0	319.402	-1.512	20	0		DAADRP
CC(C)C[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)NCC(N)=O	ZINC001246449560	780453702	/nfs/dbraw/zinc/45/37/02/780453702.db2.gz	NQTUHATZQSHHAP-NEPJUHHUSA-N	2	0	311.430	-1.314	20	0		DAADRP
O=C([C@@H]1C[C@H](N[C@@H]2C[NH2+]C[C@H]2CO)C[NH2+]1)N1CCSC1	ZINC001246311539	780454264	/nfs/dbraw/zinc/45/42/64/780454264.db2.gz	WTYCBMWNCQDXEG-FIQHERPVSA-N	2	0	300.428	-1.580	20	0		DAADRP
O=C([C@@H]1C[C@H](N2CC3(C2)C[NH2+]CCO3)C[NH2+]1)N1CCSC1	ZINC001246625628	780455745	/nfs/dbraw/zinc/45/57/45/780455745.db2.gz	SXTGIWDDWXTAOR-RYUDHWBXSA-N	2	0	312.439	-1.076	20	0		DAADRP
O=C1NCC[C@]12C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC21C[NH2+]C1	ZINC001246626029	780455771	/nfs/dbraw/zinc/45/57/71/780455771.db2.gz	JDTABDVXZZCNLV-WBMJQRKESA-N	3	0	305.426	-1.508	20	0		DAADRP
O=C1NCC[C@@]12C[N@@H+]([C@@H]1CCOC3(C[NH2+]C3)C1)CC21C[NH2+]C1	ZINC001246631306	780455797	/nfs/dbraw/zinc/45/57/97/780455797.db2.gz	WEWDYDVWKABRBI-MLGOLLRUSA-N	3	0	306.410	-1.081	20	0		DAADRP
O=C([C@@H]1C[C@H](N2CCOC3(C[NH2+]C3)C2)C[NH2+]1)N1CCSC1	ZINC001246617611	780455900	/nfs/dbraw/zinc/45/59/00/780455900.db2.gz	COORYESVCVVKEM-RYUDHWBXSA-N	2	0	312.439	-1.076	20	0		DAADRP
CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2	ZINC001246761882	780456576	/nfs/dbraw/zinc/45/65/76/780456576.db2.gz	WNFZWYZMQDWQQK-CZUORRHYSA-N	2	0	321.425	-1.497	20	0		DAADRP
NC(=O)[C@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]1	ZINC001246798200	780456984	/nfs/dbraw/zinc/45/69/84/780456984.db2.gz	SQVFWSDIWZEHCD-GARJFASQSA-N	2	0	313.427	-1.991	20	0		DAADRP
CC(=O)NCc1nnc2n1CCN([C@H]1CCNC3(C[NH2+]C3)C1)C2	ZINC001246750492	780457046	/nfs/dbraw/zinc/45/70/46/780457046.db2.gz	VSQCLKDDBDGKQN-LBPRGKRZSA-N	2	0	319.413	-1.176	20	0		DAADRP
CCOC(=O)C[C@@H]1C(=O)NCCN1[C@H]1CCNC2(C[NH2+]C2)C1	ZINC001246773317	780457066	/nfs/dbraw/zinc/45/70/66/780457066.db2.gz	AOUUCWPEPRYYBW-NWDGAFQWSA-N	2	0	310.398	-1.166	20	0		DAADRP
[NH3+][C@H]1C[C@H](CO)N([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1	ZINC001246940957	780457995	/nfs/dbraw/zinc/45/79/95/780457995.db2.gz	XGXOLMVVARAEBU-YFKTTZPYSA-N	2	0	300.428	-1.356	20	0		DAADRP
O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1CCO[C@@H]1CC[NH2+]C1)O3	ZINC001247007803	780458011	/nfs/dbraw/zinc/45/80/11/780458011.db2.gz	GDSDNCFOGCWIFY-NDBYEHHHSA-N	2	0	317.411	-1.490	20	0		DAADRP
COC(=O)[C@@H]1C[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CN1	ZINC001246923115	780458040	/nfs/dbraw/zinc/45/80/40/780458040.db2.gz	AQMKJYOZIUHNRX-NEPJUHHUSA-N	2	0	315.418	-1.994	20	0		DAADRP
[NH3+][C@@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC12COC2	ZINC001246985852	780458114	/nfs/dbraw/zinc/45/81/14/780458114.db2.gz	BZTJXQPUFDRPFY-GRYCIOLGSA-N	2	0	312.439	-1.091	20	0		DAADRP
[NH3+][C@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC12COC2	ZINC001246985855	780458153	/nfs/dbraw/zinc/45/81/53/780458153.db2.gz	BZTJXQPUFDRPFY-SRVKXCTJSA-N	2	0	312.439	-1.091	20	0		DAADRP
COC(=O)[C@@H]1C[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CN1	ZINC001246923124	780458307	/nfs/dbraw/zinc/45/83/07/780458307.db2.gz	AQMKJYOZIUHNRX-RYUDHWBXSA-N	2	0	315.418	-1.994	20	0		DAADRP
[NH3+][C@H]1C[C@H](CO)N([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1	ZINC001246940955	780458346	/nfs/dbraw/zinc/45/83/46/780458346.db2.gz	XGXOLMVVARAEBU-QCNOEVLYSA-N	2	0	300.428	-1.356	20	0		DAADRP
O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1C[C@H]1C[NH2+]CCCO1)O3	ZINC001247008263	780458394	/nfs/dbraw/zinc/45/83/94/780458394.db2.gz	FZAZODCGSCGSJT-NDBYEHHHSA-N	2	0	317.411	-1.490	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])C1CCS(=O)(=O)CC1	ZINC001246927344	780458431	/nfs/dbraw/zinc/45/84/31/780458431.db2.gz	ZBAUKABYCPVMAQ-UHFFFAOYSA-N	2	0	320.459	-1.321	20	0		DAADRP
COC(=O)[C@H]1C[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CN1	ZINC001246923125	780458575	/nfs/dbraw/zinc/45/85/75/780458575.db2.gz	AQMKJYOZIUHNRX-VXGBXAGGSA-N	2	0	315.418	-1.994	20	0		DAADRP
COC(=O)[C@H]1C[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CN1	ZINC001246923123	780458607	/nfs/dbraw/zinc/45/86/07/780458607.db2.gz	AQMKJYOZIUHNRX-NWDGAFQWSA-N	2	0	315.418	-1.994	20	0		DAADRP
O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@@H]1CC[NH2+]C[C@H]1F)O3	ZINC001247012881	780459784	/nfs/dbraw/zinc/45/97/84/780459784.db2.gz	UZQABXDVOFQANN-JCIQBVFBSA-N	2	0	305.375	-1.169	20	0		DAADRP
O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@H]1C[NH2+]CCOC1)O3	ZINC001247012928	780459989	/nfs/dbraw/zinc/45/99/89/780459989.db2.gz	VGMBGWFDOAXLKG-USZNOCQGSA-N	2	0	303.384	-1.880	20	0		DAADRP
O=S1(=O)[C@@H]2CC[NH2+]CC[C@@H]2CN1[C@H]1CN2C[C@H]1[NH2+]CC2	ZINC001247013109	780460163	/nfs/dbraw/zinc/46/01/63/780460163.db2.gz	VRYINMWIRLEPJN-FVCCEPFGSA-N	2	0	300.428	-1.344	20	0		DAADRP
C[NH+]1CCN(CCC[NH2+]C[C@H](O)CN2CCOCC2)CC1	ZINC001251002296	780463769	/nfs/dbraw/zinc/46/37/69/780463769.db2.gz	BELOYTSMFWOAFA-HNNXBMFYSA-N	2	0	300.447	-1.093	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCOCCO)C1	ZINC001278766325	780483424	/nfs/dbraw/zinc/48/34/24/780483424.db2.gz	IVIGRIJZQJOTCY-HIFRSBDPSA-N	2	0	315.414	-1.358	20	0		DAADRP
C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC001261821767	780559544	/nfs/dbraw/zinc/55/95/44/780559544.db2.gz	JVXOPJOZXBYXQM-CHWSQXEVSA-N	2	0	313.446	-1.208	20	0		DAADRP
C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCCOCCC[NH3+])C1	ZINC001261824243	780559867	/nfs/dbraw/zinc/55/98/67/780559867.db2.gz	UBGSCJYCOJDWDW-LBPRGKRZSA-N	2	0	300.403	-1.122	20	0		DAADRP
C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC001261821769	780560251	/nfs/dbraw/zinc/56/02/51/780560251.db2.gz	JVXOPJOZXBYXQM-QWHCGFSZSA-N	2	0	313.446	-1.208	20	0		DAADRP
C[N@@H+]1CCCN(CCC[NH2+]Cc2cn(CC(N)=O)nn2)CC1	ZINC001262109666	780566580	/nfs/dbraw/zinc/56/65/80/780566580.db2.gz	BKZDEWJZPACHRA-UHFFFAOYSA-N	2	0	309.418	-1.119	20	0		DAADRP
COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCN1C	ZINC001262262392	780569561	/nfs/dbraw/zinc/56/95/61/780569561.db2.gz	NDKWJPUFQOXZDO-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
CN(CCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)S(C)(=O)=O	ZINC001262557569	780575317	/nfs/dbraw/zinc/57/53/17/780575317.db2.gz	GFTKOWQMMGIBHG-ZDUSSCGKSA-N	2	0	322.475	-1.534	20	0		DAADRP
CNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C	ZINC001264970510	780588211	/nfs/dbraw/zinc/58/82/11/780588211.db2.gz	URQJUWGOUILAJW-LLVKDONJSA-N	2	0	313.402	-1.026	20	0		DAADRP
CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001279408543	780621111	/nfs/dbraw/zinc/62/11/11/780621111.db2.gz	FSMZNNBXDLTUGS-CYBMUJFWSA-N	2	0	312.414	-1.122	20	0		DAADRP
CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001279408544	780621852	/nfs/dbraw/zinc/62/18/52/780621852.db2.gz	FSMZNNBXDLTUGS-ZDUSSCGKSA-N	2	0	312.414	-1.122	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001282945806	780725342	/nfs/dbraw/zinc/72/53/42/780725342.db2.gz	CLQALCUVYVHYCY-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[C@@H]([NH2+]CCCNC(=O)COCC[NH+](C)C)c1nnnn1C	ZINC001171204995	781382325	/nfs/dbraw/zinc/38/23/25/781382325.db2.gz	KAUQDSGGJNEONZ-LLVKDONJSA-N	2	0	313.406	-1.055	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001171216911	781385961	/nfs/dbraw/zinc/38/59/61/781385961.db2.gz	KXIXZVREXPSZGY-NSHDSACASA-N	2	0	313.402	-1.120	20	0		DAADRP
COC(=O)[C@H](CCC(=O)N(CCCC[NH3+])C(N)=[NH2+])NC(C)=O	ZINC001144963101	781407567	/nfs/dbraw/zinc/40/75/67/781407567.db2.gz	BNLGYWYQRMQGFZ-JTQLQIEISA-N	2	0	315.374	-1.095	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[N@H+](C)CC	ZINC001146719295	781420199	/nfs/dbraw/zinc/42/01/99/781420199.db2.gz	OUHXQTTTYPIRKL-UHFFFAOYSA-N	2	0	301.391	-1.120	20	0		DAADRP
C[C@@H]([NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)C(=O)NC(N)=O	ZINC001171303355	781440681	/nfs/dbraw/zinc/44/06/81/781440681.db2.gz	HEKLESMGRGOJKJ-SNVBAGLBSA-N	2	0	311.386	-1.239	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCNC(=O)COCC[NH+](C)C	ZINC001147891541	781459023	/nfs/dbraw/zinc/45/90/23/781459023.db2.gz	BYEYVNKFFSMKSZ-UHFFFAOYSA-N	2	0	324.447	-1.790	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1	ZINC001147891537	781459565	/nfs/dbraw/zinc/45/95/65/781459565.db2.gz	BQAHCLDPLCSIMB-ZDUSSCGKSA-N	2	0	313.402	-1.472	20	0		DAADRP
C[N@@H+]1CCC[C@@H]2CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C[C@H]21	ZINC001161081415	781460367	/nfs/dbraw/zinc/46/03/67/781460367.db2.gz	JNFVSAFPXRGXTE-VXGBXAGGSA-N	2	0	318.443	-1.241	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C12CC[NH+](CC1)C2	ZINC001148001105	781460944	/nfs/dbraw/zinc/46/09/44/781460944.db2.gz	ZXGCZZXATFMREW-JTQLQIEISA-N	2	0	311.386	-1.368	20	0		DAADRP
COCCOC[C@H](O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2	ZINC001147977368	781461043	/nfs/dbraw/zinc/46/10/43/781461043.db2.gz	PYTUNFBSRSZZKP-CYBMUJFWSA-N	2	0	315.414	-1.188	20	0		DAADRP
COCCOC[C@@H](O)C[NH2+]CCNC(=O)COCC[NH+](C)C	ZINC001147884541	781461149	/nfs/dbraw/zinc/46/11/49/781461149.db2.gz	FCLDCXCNTKCHAR-ZDUSSCGKSA-N	2	0	321.418	-1.706	20	0		DAADRP
O=C(NCC[NH2+]CCN1C(=O)CCC1=O)C12CC[NH+](CC1)C2	ZINC001148000280	781461391	/nfs/dbraw/zinc/46/13/91/781461391.db2.gz	MXPMNNQQVITUPJ-UHFFFAOYSA-N	2	0	308.382	-1.063	20	0		DAADRP
COCCCNC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2	ZINC001147976900	781461836	/nfs/dbraw/zinc/46/18/36/781461836.db2.gz	DLZFCQIVQCCWDT-UHFFFAOYSA-N	2	0	312.414	-1.059	20	0		DAADRP
O=C(NCC[NH2+]CCN1C(=O)CNC1=O)C12CC[NH+](CC1)C2	ZINC001147994271	781463368	/nfs/dbraw/zinc/46/33/68/781463368.db2.gz	ARPCSKCUMJJZLD-UHFFFAOYSA-N	2	0	309.370	-1.660	20	0		DAADRP
CCC[N@H+](C)CCC(=O)NCC[NH2+]CCNS(C)(=O)=O	ZINC001148577799	781475839	/nfs/dbraw/zinc/47/58/39/781475839.db2.gz	DMJSDPXLEHIZMS-UHFFFAOYSA-N	2	0	308.448	-1.027	20	0		DAADRP
CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC	ZINC001148656250	781476096	/nfs/dbraw/zinc/47/60/96/781476096.db2.gz	XYRAYTNNVXMITB-SNVBAGLBSA-N	2	0	301.391	-1.122	20	0		DAADRP
CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NC(=O)NCC	ZINC001148638789	781476596	/nfs/dbraw/zinc/47/65/96/781476596.db2.gz	RQUQDMMQCWJYKU-UHFFFAOYSA-N	2	0	301.391	-1.120	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)C1	ZINC001176072544	781614142	/nfs/dbraw/zinc/61/41/42/781614142.db2.gz	XVBNTGOGGVXQHM-CYBMUJFWSA-N	2	0	312.414	-1.107	20	0		DAADRP
CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CC(=O)N(C)C(=O)N1	ZINC001181137442	781684468	/nfs/dbraw/zinc/68/44/68/781684468.db2.gz	SGUIECNFJHGYLP-VIFPVBQESA-N	2	0	312.374	-1.009	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1	ZINC001151066571	781693663	/nfs/dbraw/zinc/69/36/63/781693663.db2.gz	WMMINEKGYLWNDN-CHWSQXEVSA-N	2	0	312.414	-1.203	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1	ZINC001151066573	781693705	/nfs/dbraw/zinc/69/37/05/781693705.db2.gz	WMMINEKGYLWNDN-QWHCGFSZSA-N	2	0	312.414	-1.203	20	0		DAADRP
CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](CCO)NC(C)=O	ZINC001182144981	781700290	/nfs/dbraw/zinc/70/02/90/781700290.db2.gz	AGFXMTWQOINBJW-LLVKDONJSA-N	2	0	301.391	-1.063	20	0		DAADRP
CN(CC[NH2+]CCNC(=O)C[NH+]1CCCC1)S(C)(=O)=O	ZINC001151097789	781702170	/nfs/dbraw/zinc/70/21/70/781702170.db2.gz	SDHHYUBHBLJKAM-UHFFFAOYSA-N	2	0	306.432	-1.321	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)N1CCC1	ZINC001151152471	781703723	/nfs/dbraw/zinc/70/37/23/781703723.db2.gz	ULMYVJFWEIKPJW-CYBMUJFWSA-N	2	0	312.414	-1.107	20	0		DAADRP
C[NH+](C)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CCC1	ZINC001183229845	781724434	/nfs/dbraw/zinc/72/44/34/781724434.db2.gz	QDUFYNCERODPPV-SNVBAGLBSA-N	2	0	311.386	-1.144	20	0		DAADRP
CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC001184433795	781747566	/nfs/dbraw/zinc/74/75/66/781747566.db2.gz	NHHCXZGUBUTACZ-WULFKBJJSA-N	2	0	322.409	-1.214	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1C(=O)NCCN(CC[NH3+])N(O)N=O	ZINC001185267542	781756802	/nfs/dbraw/zinc/75/68/02/781756802.db2.gz	ULHFUEWMYLSZKN-SNVBAGLBSA-N	2	0	303.367	-2.103	20	0		DAADRP
C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1	ZINC001185230680	781758122	/nfs/dbraw/zinc/75/81/22/781758122.db2.gz	ZQQFAIXANINPBY-SNVBAGLBSA-N	2	0	311.386	-1.286	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001185659935	781763862	/nfs/dbraw/zinc/76/38/62/781763862.db2.gz	UDVWYKSSTOVOCJ-GHMZBOCLSA-N	2	0	311.386	-1.286	20	0		DAADRP
CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C	ZINC001185715316	781765646	/nfs/dbraw/zinc/76/56/46/781765646.db2.gz	ALTCAOPAGFISPE-MNOVXSKESA-N	2	0	313.402	-1.027	20	0		DAADRP
COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1	ZINC001187115793	781795502	/nfs/dbraw/zinc/79/55/02/781795502.db2.gz	UCGSPIKGFMQXKD-OLZOCXBDSA-N	2	0	303.403	-1.238	20	0		DAADRP
C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1	ZINC001187115723	781796159	/nfs/dbraw/zinc/79/61/59/781796159.db2.gz	PRAOJNUXRVYXJY-CYBMUJFWSA-N	2	0	312.414	-1.013	20	0		DAADRP
CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1	ZINC001187115949	781796458	/nfs/dbraw/zinc/79/64/58/781796458.db2.gz	WGHNTYQPYKACMV-GFCCVEGCSA-N	2	0	300.403	-1.157	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)C1	ZINC001203699835	781837749	/nfs/dbraw/zinc/83/77/49/781837749.db2.gz	UTFBFJXCZPZYBK-JTQLQIEISA-N	2	0	311.386	-1.286	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1	ZINC001376917751	921745480	/nfs/dbraw/zinc/74/54/80/921745480.db2.gz	DOKOSAWHRKLWMM-QWRGUYRKSA-N	2	0	311.386	-1.416	20	0		DAADRP
NC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1	ZINC001377347706	921804702	/nfs/dbraw/zinc/80/47/02/921804702.db2.gz	VYDAVLYCIDNWTH-CYBMUJFWSA-N	2	0	324.425	-1.243	20	0		DAADRP
C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H]1CCC(=O)NC1=O	ZINC001317281761	916282658	/nfs/dbraw/zinc/28/26/58/916282658.db2.gz	FMGWTHHDIZYDJZ-GHMZBOCLSA-N	2	0	308.382	-1.018	20	0		DAADRP
CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@@H]1CCC[N@@H+]1C	ZINC001317572409	916328086	/nfs/dbraw/zinc/32/80/86/916328086.db2.gz	FEFPUVPPOHKYBR-ZDUSSCGKSA-N	2	0	312.414	-1.013	20	0		DAADRP
C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CCNS(C)(=O)=O)CC[N@@H+]1C	ZINC001317589627	916329733	/nfs/dbraw/zinc/32/97/33/916329733.db2.gz	RGIWAZWWDMZVTE-VXGBXAGGSA-N	2	0	320.459	-1.076	20	0		DAADRP
CS(=O)(=O)CC[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001320297156	916500068	/nfs/dbraw/zinc/50/00/68/916500068.db2.gz	YPHUBTKYEMUPPK-NSHDSACASA-N	2	0	319.427	-1.807	20	0		DAADRP
CNC(=O)C[NH2+]CCN(CCO)C(=O)C12CCC[NH+]1CCC2	ZINC001326052848	916888461	/nfs/dbraw/zinc/88/84/61/916888461.db2.gz	NUOSXDYJVCHKRE-UHFFFAOYSA-N	2	0	312.414	-1.229	20	0		DAADRP
CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001326074735	916891666	/nfs/dbraw/zinc/89/16/66/916891666.db2.gz	VHOSKQFPMOHVNW-ZDUSSCGKSA-N	2	0	314.430	-1.031	20	0		DAADRP
NC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21	ZINC001326107656	916899235	/nfs/dbraw/zinc/89/92/35/916899235.db2.gz	PLWCMLLNARBPMX-QWHCGFSZSA-N	2	0	312.414	-1.101	20	0		DAADRP
C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H](CO)CN2CCOCC2)CC1	ZINC001326236305	916908742	/nfs/dbraw/zinc/90/87/42/916908742.db2.gz	HDOCJYMPYCANMJ-CABCVRRESA-N	2	0	316.446	-2.123	20	0		DAADRP
C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)[C@@H]1CN(C)CCO1	ZINC001326600434	916934313	/nfs/dbraw/zinc/93/43/13/916934313.db2.gz	WWZLLKZVUBOQOV-KKUMJFAQSA-N	2	0	300.447	-1.097	20	0		DAADRP
O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC001326845636	916962287	/nfs/dbraw/zinc/96/22/87/916962287.db2.gz	JNJALCLKJBBHBQ-RWMBFGLXSA-N	2	0	310.398	-1.620	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1[NH3+]	ZINC001326877981	916963424	/nfs/dbraw/zinc/96/34/24/916963424.db2.gz	XTRGWCUIMDVVMO-YVECIDJPSA-N	2	0	310.398	-1.541	20	0		DAADRP
C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cn1	ZINC001326857490	916963548	/nfs/dbraw/zinc/96/35/48/916963548.db2.gz	DCMLGMWSFGMYKE-GDNZZTSVSA-N	2	0	306.370	-1.283	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@](C)(O)C1	ZINC001326993223	916978574	/nfs/dbraw/zinc/97/85/74/916978574.db2.gz	UHLCXBIZPOTIFR-OAHLLOKOSA-N	2	0	314.430	-1.079	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CCOCCO)C1	ZINC001327015454	916980976	/nfs/dbraw/zinc/98/09/76/916980976.db2.gz	BGEOYHYOMWZQJP-ZIAGYGMSSA-N	2	0	315.414	-1.094	20	0		DAADRP
C[NH+]1CCC(OCC(=O)N2CCO[C@@H](C[NH2+]CCO)C2)CC1	ZINC001327047909	916986045	/nfs/dbraw/zinc/98/60/45/916986045.db2.gz	GVNRXYYKNVQLCE-AWEZNQCLSA-N	2	0	315.414	-1.094	20	0		DAADRP
OC[C@H]1C[N@H+](CCCCC[NH+]2C[C@H](O)[C@H](CO)C2)C[C@@H]1O	ZINC001327067540	916988593	/nfs/dbraw/zinc/98/85/93/916988593.db2.gz	PUKXVDNIKDXBQD-XGUBFFRZSA-N	2	0	302.415	-1.273	20	0		DAADRP
CC1([NH3+])CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1	ZINC001327180362	916991350	/nfs/dbraw/zinc/99/13/50/916991350.db2.gz	ABJCTQQHIFXQFI-NWDGAFQWSA-N	2	0	310.398	-1.396	20	0		DAADRP
C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC001327175175	916992664	/nfs/dbraw/zinc/99/26/64/916992664.db2.gz	CMHYHSIYCUATLE-HZSPNIEDSA-N	2	0	324.425	-1.326	20	0		DAADRP
O=C(N[C@H]1CC[NH2+]C1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC001327486011	917019605	/nfs/dbraw/zinc/01/96/05/917019605.db2.gz	KULOCVKERQZXTP-STQMWFEESA-N	2	0	310.398	-1.166	20	0		DAADRP
Cn1cnc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1	ZINC001327833176	917045554	/nfs/dbraw/zinc/04/55/54/917045554.db2.gz	DCLVSQLJSBVWOQ-UHFFFAOYSA-N	2	0	311.390	-1.295	20	0		DAADRP
CCN1CCO[C@H](C(=O)N2CCC(O)(C[NH2+]CCO)CC2)C1	ZINC001328218178	917071151	/nfs/dbraw/zinc/07/11/51/917071151.db2.gz	YVNNDAQASKAEGO-ZDUSSCGKSA-N	2	0	315.414	-1.358	20	0		DAADRP
O=C(N[C@@H]1CC[NH2+]C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC001328970351	917124444	/nfs/dbraw/zinc/12/44/44/917124444.db2.gz	BFHSFMNYLRKQTE-MGPQQGTHSA-N	2	0	324.425	-1.042	20	0		DAADRP
C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC001329001924	917130728	/nfs/dbraw/zinc/13/07/28/917130728.db2.gz	DMYSNJXSOBQBPW-JHJVBQTASA-N	2	0	312.414	-1.110	20	0		DAADRP
COCC[NH2+]CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC001329680172	917188784	/nfs/dbraw/zinc/18/87/84/917188784.db2.gz	VNNFVVBPGLBPIZ-TUAOUCFPSA-N	2	0	312.370	-1.384	20	0		DAADRP
[NH3+][C@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1	ZINC001329856271	917206229	/nfs/dbraw/zinc/20/62/29/917206229.db2.gz	OCBIDLDKFUZHJR-AAEUAGOBSA-N	2	0	310.398	-1.085	20	0		DAADRP
CC[NH+]1CCN(CCCNC(=O)c2cn(CC[NH3+])nn2)CC1	ZINC001329926433	917212834	/nfs/dbraw/zinc/21/28/34/917212834.db2.gz	SNNQPPCSJPNPBY-UHFFFAOYSA-N	2	0	309.418	-1.006	20	0		DAADRP
C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC001329972278	917216294	/nfs/dbraw/zinc/21/62/94/917216294.db2.gz	HRORHHXIGVNXIU-ZOWXZIJZSA-N	2	0	310.398	-1.539	20	0		DAADRP
C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC001329972277	917216666	/nfs/dbraw/zinc/21/66/66/917216666.db2.gz	HRORHHXIGVNXIU-YWPYICTPSA-N	2	0	310.398	-1.539	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1	ZINC001330051865	917227632	/nfs/dbraw/zinc/22/76/32/917227632.db2.gz	HVMYKMNUEUUVAH-GFCCVEGCSA-N	2	0	300.403	-1.251	20	0		DAADRP
COC[C@@]1(C(=O)NCCC[NH+]2CCC(O)CC2)C[NH2+]CCO1	ZINC001331043121	917274514	/nfs/dbraw/zinc/27/45/14/917274514.db2.gz	SJBDEZHGVMLKCG-OAHLLOKOSA-N	2	0	315.414	-1.046	20	0		DAADRP
COC[C@]1(C(=O)NCCC[NH+]2CCC(O)CC2)C[NH2+]CCO1	ZINC001331043119	917274713	/nfs/dbraw/zinc/27/47/13/917274713.db2.gz	SJBDEZHGVMLKCG-HNNXBMFYSA-N	2	0	315.414	-1.046	20	0		DAADRP
[NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1	ZINC001331168205	917283389	/nfs/dbraw/zinc/28/33/89/917283389.db2.gz	QIGJNHHILZPIJQ-YVECIDJPSA-N	2	0	310.398	-1.181	20	0		DAADRP
C[NH+](C)CCCC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O	ZINC001331774568	917332743	/nfs/dbraw/zinc/33/27/43/917332743.db2.gz	MXAXJHFANFWTPM-WDEREUQCSA-N	2	0	314.386	-1.800	20	0		DAADRP
C[NH+](C)CCCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O	ZINC001331774563	917335374	/nfs/dbraw/zinc/33/53/74/917335374.db2.gz	MXAXJHFANFWTPM-GHMZBOCLSA-N	2	0	314.386	-1.800	20	0		DAADRP
COC(=O)C1CC[NH+](CCCNC(=O)CNC(=O)C[NH3+])CC1	ZINC001332126255	917354133	/nfs/dbraw/zinc/35/41/33/917354133.db2.gz	ZLLJZRJZFYLRSQ-UHFFFAOYSA-N	2	0	314.386	-1.547	20	0		DAADRP
[NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1	ZINC001332412131	917368399	/nfs/dbraw/zinc/36/83/99/917368399.db2.gz	MUQMYRZSIFXRKI-CZUORRHYSA-N	2	0	324.425	-1.005	20	0		DAADRP
C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1	ZINC001332893329	917417186	/nfs/dbraw/zinc/41/71/86/917417186.db2.gz	LQHUUUIBAVGGSD-SWLSCSKDSA-N	2	0	312.414	-1.291	20	0		DAADRP
C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1	ZINC001332893327	917417852	/nfs/dbraw/zinc/41/78/52/917417852.db2.gz	LQHUUUIBAVGGSD-IUODEOHRSA-N	2	0	312.414	-1.291	20	0		DAADRP
CCN(C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@H]1CC[NH2+]C1	ZINC001333376967	917437990	/nfs/dbraw/zinc/43/79/90/917437990.db2.gz	FFIOKPLCALTTGC-QWHCGFSZSA-N	2	0	311.430	-1.441	20	0		DAADRP
C[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])C[NH+]1CCN(C)CC1	ZINC001333541886	917447335	/nfs/dbraw/zinc/44/73/35/917447335.db2.gz	DXCGFYJGQSMRCG-ZDUSSCGKSA-N	2	0	313.446	-1.207	20	0		DAADRP
[NH3+][C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1	ZINC001333566741	917451103	/nfs/dbraw/zinc/45/11/03/917451103.db2.gz	OCBIDLDKFUZHJR-YPMHNXCESA-N	2	0	310.398	-1.085	20	0		DAADRP
O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO	ZINC001335205564	917532698	/nfs/dbraw/zinc/53/26/98/917532698.db2.gz	VFPOQJIIVOSJQQ-QWHCGFSZSA-N	2	0	310.398	-1.620	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)NCC1([NH3+])CCOCC1	ZINC001335230173	917536892	/nfs/dbraw/zinc/53/68/92/917536892.db2.gz	KYPFBISQQJKYRL-UHFFFAOYSA-N	2	0	316.402	-1.695	20	0		DAADRP
[NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1	ZINC001335801853	917561853	/nfs/dbraw/zinc/56/18/53/917561853.db2.gz	MFKNYGFKCVVBDJ-XJFOESAGSA-N	2	0	324.425	-1.103	20	0		DAADRP
[NH3+][C@]1(CO)CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1	ZINC001335769810	917562855	/nfs/dbraw/zinc/56/28/55/917562855.db2.gz	WMRYMBWDGBETJL-MLGOLLRUSA-N	2	0	324.425	-1.101	20	0		DAADRP
[NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1	ZINC001336134064	917571141	/nfs/dbraw/zinc/57/11/41/917571141.db2.gz	KQDWHFISKGDQJV-BFHYXJOUSA-N	2	0	324.425	-1.149	20	0		DAADRP
[NH3+]CCN1CCC([NH2+]CC[C@H]2CNCCS2(=O)=O)CC1	ZINC001336285528	917578385	/nfs/dbraw/zinc/57/83/85/917578385.db2.gz	MNZUYMOEOBBLOZ-ZDUSSCGKSA-N	2	0	304.460	-1.224	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1	ZINC001336555994	917590556	/nfs/dbraw/zinc/59/05/56/917590556.db2.gz	KBTFWMJDGDZCAT-MJBXVCDLSA-N	2	0	323.441	-1.584	20	0		DAADRP
C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC001340926942	917745673	/nfs/dbraw/zinc/74/56/73/917745673.db2.gz	ATQGSGUKLSKQAB-RBSFLKMASA-N	2	0	307.442	-1.119	20	0		DAADRP
C[NH+]1CCN(CCCNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1	ZINC001341733725	917764459	/nfs/dbraw/zinc/76/44/59/917764459.db2.gz	RFYTWWPSVJCZRM-ZDUSSCGKSA-N	2	0	323.441	-1.440	20	0		DAADRP
CC1(C(=O)N2CCNCCN(C(=O)C3(C)C[NH2+]C3)CC2)C[NH2+]C1	ZINC001342639412	917788846	/nfs/dbraw/zinc/78/88/46/917788846.db2.gz	BLMAQEZNKNRMME-UHFFFAOYSA-N	2	0	323.441	-1.534	20	0		DAADRP
OC[C@@H]1C[C@@H](O)C[NH+]1CCOCC[N@H+]1C[C@H](O)C[C@H]1CO	ZINC001342858339	917792528	/nfs/dbraw/zinc/79/25/28/917792528.db2.gz	FTBMRIUODMQVJI-IGQOVBAYSA-N	2	0	304.387	-2.142	20	0		DAADRP
COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1	ZINC001345181766	917839056	/nfs/dbraw/zinc/83/90/56/917839056.db2.gz	DIEUBZHDAPVGMK-YNEHKIRRSA-N	2	0	310.398	-1.404	20	0		DAADRP
COCC[NH2+]CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC001345767303	917857448	/nfs/dbraw/zinc/85/74/48/917857448.db2.gz	NBBNCLXNIGVTMZ-CQSZACIVSA-N	2	0	314.430	-1.255	20	0		DAADRP
[NH3+]CCCCn1cc(C(=O)NCC(=O)N2CC[NH2+]CC2)nn1	ZINC001345813809	917863064	/nfs/dbraw/zinc/86/30/64/917863064.db2.gz	YQBYBWVOHZXZIQ-UHFFFAOYSA-N	2	0	309.374	-1.821	20	0		DAADRP
O=C(NCC1CC[NH2+]CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC001346516232	917889230	/nfs/dbraw/zinc/88/92/30/917889230.db2.gz	NCMHPQCSJRPFAS-QWHCGFSZSA-N	2	0	310.398	-1.620	20	0		DAADRP
C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O	ZINC001347342677	917917717	/nfs/dbraw/zinc/91/77/17/917917717.db2.gz	LXIDWZPHYPNLMN-RDBSUJKOSA-N	2	0	323.441	-1.169	20	0		DAADRP
[NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CC[NH2+]CC1)C2=O	ZINC001349110786	917995257	/nfs/dbraw/zinc/99/52/57/917995257.db2.gz	GAJBYMXISWYUCE-NHYWBVRUSA-N	2	0	323.397	-1.142	20	0		DAADRP
C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)cn1	ZINC001349625210	918027782	/nfs/dbraw/zinc/02/77/82/918027782.db2.gz	UFLNFACOVXNLKW-LBPRGKRZSA-N	2	0	324.385	-1.512	20	0		DAADRP
[NH3+]C1CCC(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1	ZINC001349845236	918042340	/nfs/dbraw/zinc/04/23/40/918042340.db2.gz	NIKIRBBJSRKQBY-IFWUJCSASA-N	2	0	310.398	-1.350	20	0		DAADRP
[NH3+]C1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1	ZINC001352797685	918129174	/nfs/dbraw/zinc/12/91/74/918129174.db2.gz	LCYSQSNHVRSVPX-KGLIPLIRSA-N	2	0	324.425	-1.006	20	0		DAADRP
C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC[N@@H+]1C	ZINC001353121181	918140978	/nfs/dbraw/zinc/14/09/78/918140978.db2.gz	HJKKKPPJVWSUDB-LALPHHSUSA-N	2	0	312.414	-1.103	20	0		DAADRP
[NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC001353184539	918147434	/nfs/dbraw/zinc/14/74/34/918147434.db2.gz	VNNWOTMYPFMEHJ-QNWHQSFQSA-N	2	0	310.398	-1.493	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1	ZINC001353323548	918149268	/nfs/dbraw/zinc/14/92/68/918149268.db2.gz	LWRBXZJIVFEULX-HAQNSBGRSA-N	2	0	300.403	-1.124	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O	ZINC001353750128	918160517	/nfs/dbraw/zinc/16/05/17/918160517.db2.gz	YAVUHVWJSWBGNN-GFCCVEGCSA-N	2	0	300.403	-1.122	20	0		DAADRP
[NH3+]CCNCC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC001354633272	918184226	/nfs/dbraw/zinc/18/42/26/918184226.db2.gz	ZOOLFCJZXMNTCZ-AWEZNQCLSA-N	2	0	313.446	-1.553	20	0		DAADRP
Cn1ccc(=O)n(CCC[NH2+]C[C@H](O)C[NH+]2CCCC2)c1=O	ZINC001357165115	918273265	/nfs/dbraw/zinc/27/32/65/918273265.db2.gz	CJWQEGVTQDLJRX-ZDUSSCGKSA-N	2	0	310.398	-1.017	20	0		DAADRP
COCCC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1	ZINC001357413007	918289253	/nfs/dbraw/zinc/28/92/53/918289253.db2.gz	FOCMWYXQMKWACP-LBPRGKRZSA-N	2	0	312.414	-1.109	20	0		DAADRP
[NH3+]CCN1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1=O	ZINC001357946420	918309885	/nfs/dbraw/zinc/30/98/85/918309885.db2.gz	XRYUXRDSKMZGNE-QWHCGFSZSA-N	2	0	312.414	-1.243	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001365833509	919239136	/nfs/dbraw/zinc/23/91/36/919239136.db2.gz	KQUCPNHYIWSVFY-DCAQKATOSA-N	2	0	311.386	-1.240	20	0		DAADRP
C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1)C(=O)NC(N)=O	ZINC001366130276	919286764	/nfs/dbraw/zinc/28/67/64/919286764.db2.gz	MGUWJFNIALJXSE-GMTAPVOTSA-N	2	0	311.386	-1.098	20	0		DAADRP
CNC(=O)C[NH2+][C@@H](C)CNC(=O)COC1CC[NH+](C)CC1	ZINC001366344667	919312237	/nfs/dbraw/zinc/31/22/37/919312237.db2.gz	MCCAQKHWLKKPMS-NSHDSACASA-N	2	0	300.403	-1.063	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001366339145	919314156	/nfs/dbraw/zinc/31/41/56/919314156.db2.gz	BZDGEORLTAADNR-WDEREUQCSA-N	2	0	313.402	-1.122	20	0		DAADRP
C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)n1	ZINC001366409149	919326878	/nfs/dbraw/zinc/32/68/78/919326878.db2.gz	ZJFWDGJYDVYJMU-LBPRGKRZSA-N	2	0	322.413	-1.018	20	0		DAADRP
CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C	ZINC001366409226	919327496	/nfs/dbraw/zinc/32/74/96/919327496.db2.gz	XVKFDOWYUHRBSU-GHMZBOCLSA-N	2	0	313.402	-1.040	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](CC(=O)NC(N)=O)C1	ZINC001366714905	919375338	/nfs/dbraw/zinc/37/53/38/919375338.db2.gz	XUCKIWDDQSYDRZ-LLVKDONJSA-N	2	0	313.402	-1.039	20	0		DAADRP
C[C@@H]([NH2+]CCN(C)C(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O	ZINC001366777374	919380555	/nfs/dbraw/zinc/38/05/55/919380555.db2.gz	XWIGEBZETRRGCO-LLVKDONJSA-N	2	0	310.402	-1.020	20	0		DAADRP
C[C@H]([NH2+]CCN(C)C(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O	ZINC001366777381	919382699	/nfs/dbraw/zinc/38/26/99/919382699.db2.gz	XWIGEBZETRRGCO-NSHDSACASA-N	2	0	310.402	-1.020	20	0		DAADRP
CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(=O)NC	ZINC001367140965	919437884	/nfs/dbraw/zinc/43/78/84/919437884.db2.gz	OAXMSAUCYTXNAQ-GHMZBOCLSA-N	2	0	313.402	-1.122	20	0		DAADRP
CC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001367262561	919445732	/nfs/dbraw/zinc/44/57/32/919445732.db2.gz	QLNIRJCDNYIXAI-VHSXEESVSA-N	2	0	301.391	-1.137	20	0		DAADRP
CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1)[NH+](C)C	ZINC001367585473	919493976	/nfs/dbraw/zinc/49/39/76/919493976.db2.gz	FXFVHRRBTSGGMI-JSGCOSHPSA-N	2	0	314.430	-1.128	20	0		DAADRP
CCn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001367583441	919496116	/nfs/dbraw/zinc/49/61/16/919496116.db2.gz	QILGTXLEMAPEDA-QWHCGFSZSA-N	2	0	310.402	-1.041	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O	ZINC001367593225	919504195	/nfs/dbraw/zinc/50/41/95/919504195.db2.gz	JNJYCJCHYZPDOZ-ZJUUUORDSA-N	2	0	315.374	-2.268	20	0		DAADRP
CC(C)[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001367598887	919513543	/nfs/dbraw/zinc/51/35/43/919513543.db2.gz	DDQNUPREDJWTGY-GXSJLCMTSA-N	2	0	317.390	-2.166	20	0		DAADRP
COC[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001367614365	919528631	/nfs/dbraw/zinc/52/86/31/919528631.db2.gz	AFCXLCYQBSQRKU-RYUDHWBXSA-N	2	0	301.387	-1.844	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)C1	ZINC001367619525	919534283	/nfs/dbraw/zinc/53/42/83/919534283.db2.gz	OJFVHVMMCNVSSA-STQMWFEESA-N	2	0	312.414	-1.373	20	0		DAADRP
Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001367625458	919540630	/nfs/dbraw/zinc/54/06/30/919540630.db2.gz	QRZUZVNRIAOFII-AAEUAGOBSA-N	2	0	310.402	-1.276	20	0		DAADRP
C[C@H](C[NH2+]CC(N)=O)NC(=O)C(C)(C)C[NH+]1CCOCC1	ZINC001367681560	919553579	/nfs/dbraw/zinc/55/35/79/919553579.db2.gz	USMOTABOKBKXNK-LLVKDONJSA-N	2	0	300.403	-1.076	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1	ZINC001367922954	919585109	/nfs/dbraw/zinc/58/51/09/919585109.db2.gz	KGDXSUYUFCSXFC-WCQYABFASA-N	2	0	312.414	-1.076	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2	ZINC001368130266	919618561	/nfs/dbraw/zinc/61/85/61/919618561.db2.gz	YLAVCGOLPPHTTM-LLVKDONJSA-N	2	0	323.397	-1.142	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@]1(O)CC[N@H+](CCO)C1	ZINC001368292274	919670638	/nfs/dbraw/zinc/67/06/38/919670638.db2.gz	YOEACNRPECSCOS-UKRRQHHQSA-N	2	0	315.414	-1.500	20	0		DAADRP
C[C@@H]([NH2+]CCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O	ZINC001368410913	919719139	/nfs/dbraw/zinc/71/91/39/919719139.db2.gz	ONKUTQIMKAXUKT-NEPJUHHUSA-N	2	0	300.403	-1.388	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1	ZINC001368631917	919752136	/nfs/dbraw/zinc/75/21/36/919752136.db2.gz	SZVMTEXQYZCURY-AWEZNQCLSA-N	2	0	300.403	-1.245	20	0		DAADRP
CC[C@@H]([NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O	ZINC001369325074	919855844	/nfs/dbraw/zinc/85/58/44/919855844.db2.gz	QMJCJUZZVOPVKW-WDEREUQCSA-N	2	0	300.403	-1.199	20	0		DAADRP
CC[C@H]([NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O	ZINC001369325067	919857752	/nfs/dbraw/zinc/85/77/52/919857752.db2.gz	QMJCJUZZVOPVKW-QWRGUYRKSA-N	2	0	300.403	-1.199	20	0		DAADRP
CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H](CO)[NH2+]CC(N)=O	ZINC001369332791	919869588	/nfs/dbraw/zinc/86/95/88/919869588.db2.gz	PSXQUVXWAMORRH-LLVKDONJSA-N	2	0	316.402	-2.103	20	0		DAADRP
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCn1cncn1	ZINC001369342400	919880734	/nfs/dbraw/zinc/88/07/34/919880734.db2.gz	TXLPOSGFJRRSME-CHWSQXEVSA-N	2	0	310.402	-1.171	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@H](C)C(=O)N(C)C	ZINC001369370768	919906775	/nfs/dbraw/zinc/90/67/75/919906775.db2.gz	FIJCZCZESPBWAU-NEPJUHHUSA-N	2	0	302.419	-1.130	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1	ZINC001369370904	919908038	/nfs/dbraw/zinc/90/80/38/919908038.db2.gz	FYNAYIMRDVZXIW-LBPRGKRZSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)[NH2+]CCS(C)(=O)=O)C1	ZINC001369381494	919913390	/nfs/dbraw/zinc/91/33/90/919913390.db2.gz	NTNJONSFTFZIGA-NWDGAFQWSA-N	2	0	321.443	-1.561	20	0		DAADRP
C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1)C(N)=O	ZINC001369478680	919953698	/nfs/dbraw/zinc/95/36/98/919953698.db2.gz	AQOHCHBTQJJAHU-JQWIXIFHSA-N	2	0	300.403	-1.389	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)C(C)(C)[NH+]1CCCC1	ZINC001369480265	919954427	/nfs/dbraw/zinc/95/44/27/919954427.db2.gz	WJLZGNZUOAKRGE-NSHDSACASA-N	2	0	300.403	-1.245	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C	ZINC001369484356	919956512	/nfs/dbraw/zinc/95/65/12/919956512.db2.gz	SWKNHDIQLUTAJY-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
COC[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001369483503	919956802	/nfs/dbraw/zinc/95/68/02/919956802.db2.gz	KBILIVKRZFAQAA-UONOGXRCSA-N	2	0	317.430	-1.256	20	0		DAADRP
C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O	ZINC001370450194	920058343	/nfs/dbraw/zinc/05/83/43/920058343.db2.gz	ZHEFVWICAZJXID-DBIOUOCHSA-N	2	0	311.386	-1.099	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1	ZINC001370708595	920136010	/nfs/dbraw/zinc/13/60/10/920136010.db2.gz	GARGMAJYIBJHLQ-RWSFTLGLSA-N	2	0	323.397	-1.096	20	0		DAADRP
CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001371435053	920250492	/nfs/dbraw/zinc/25/04/92/920250492.db2.gz	WVOFXOLNMVTTIF-KOLCDFICSA-N	2	0	301.391	-1.138	20	0		DAADRP
C[C@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(=O)NC(N)=O	ZINC001371545047	920285503	/nfs/dbraw/zinc/28/55/03/920285503.db2.gz	VHRTXUAECGXEFG-QWRGUYRKSA-N	2	0	311.386	-1.144	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1	ZINC001371622537	920290926	/nfs/dbraw/zinc/29/09/26/920290926.db2.gz	UQXXRAMZOCYCOZ-STQMWFEESA-N	2	0	312.414	-1.122	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1	ZINC001371622531	920291017	/nfs/dbraw/zinc/29/10/17/920291017.db2.gz	UQXXRAMZOCYCOZ-QWHCGFSZSA-N	2	0	312.414	-1.122	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1	ZINC001371622499	920292044	/nfs/dbraw/zinc/29/20/44/920292044.db2.gz	UQXXRAMZOCYCOZ-CHWSQXEVSA-N	2	0	312.414	-1.122	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C	ZINC001371824785	920300345	/nfs/dbraw/zinc/30/03/45/920300345.db2.gz	FUKAPNXIVLXWEU-JTQLQIEISA-N	2	0	301.391	-1.122	20	0		DAADRP
C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CC(=O)NC(N)=O	ZINC001374098516	920582394	/nfs/dbraw/zinc/58/23/94/920582394.db2.gz	OIYRJJCCPLYHIM-SNVBAGLBSA-N	2	0	311.386	-1.381	20	0		DAADRP
C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CC(=O)NC(N)=O	ZINC001374098514	920582592	/nfs/dbraw/zinc/58/25/92/920582592.db2.gz	OIYRJJCCPLYHIM-JTQLQIEISA-N	2	0	311.386	-1.381	20	0		DAADRP
C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC(=O)NC(N)=O	ZINC001374388440	920602440	/nfs/dbraw/zinc/60/24/40/920602440.db2.gz	UBXONKAARXNIOJ-GHMZBOCLSA-N	2	0	313.402	-1.040	20	0		DAADRP
COC[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001374639030	920666276	/nfs/dbraw/zinc/66/62/76/920666276.db2.gz	RGVATNWVWQHZCK-AVGNSLFASA-N	2	0	303.403	-1.455	20	0		DAADRP
Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001374668486	920685571	/nfs/dbraw/zinc/68/55/71/920685571.db2.gz	GJNJTZMDJZXXEF-GFCCVEGCSA-N	2	0	308.386	-1.522	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O	ZINC001374674938	920687350	/nfs/dbraw/zinc/68/73/50/920687350.db2.gz	SOAGWDVFCSRURD-NEPJUHHUSA-N	2	0	300.403	-1.327	20	0		DAADRP
CCn1nncc1C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1	ZINC001374684621	920693044	/nfs/dbraw/zinc/69/30/44/920693044.db2.gz	MYTLUHQSMOHRIV-CYBMUJFWSA-N	2	0	310.402	-1.040	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)NC(N)=O	ZINC001374685546	920694342	/nfs/dbraw/zinc/69/43/42/920694342.db2.gz	OVCLRQADXRRBBW-VHSXEESVSA-N	2	0	317.390	-2.023	20	0		DAADRP
C[C@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@H]1CC[N@H+](C)C1	ZINC001374842413	920718190	/nfs/dbraw/zinc/71/81/90/920718190.db2.gz	LRYYDFQJLHDIMV-OLZOCXBDSA-N	2	0	312.414	-1.109	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1	ZINC001374925296	920730703	/nfs/dbraw/zinc/73/07/03/920730703.db2.gz	FERVMJZTFRXKCG-JTQLQIEISA-N	2	0	313.402	-1.122	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CC(=O)NC(N)=O)CC2)C1	ZINC001375490527	920779286	/nfs/dbraw/zinc/77/92/86/920779286.db2.gz	KWHFUFGQNOXWIB-SNVBAGLBSA-N	2	0	311.386	-1.239	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(N)=O	ZINC001375751132	920805628	/nfs/dbraw/zinc/80/56/28/920805628.db2.gz	RWCMFHLRAWAOGE-QWRGUYRKSA-N	2	0	311.386	-1.144	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(N)=O	ZINC001375751133	920806557	/nfs/dbraw/zinc/80/65/57/920806557.db2.gz	RWCMFHLRAWAOGE-WDEREUQCSA-N	2	0	311.386	-1.144	20	0		DAADRP
C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC1	ZINC001376386744	920927827	/nfs/dbraw/zinc/92/78/27/920927827.db2.gz	AADRAPKRQNBBSX-MGCOHNPYSA-N	2	0	311.386	-1.240	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC001376414154	920931999	/nfs/dbraw/zinc/93/19/99/920931999.db2.gz	XECTVZJHUWAMAM-XYPYZODXSA-N	2	0	323.397	-1.225	20	0		DAADRP
C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O	ZINC001376629910	920995146	/nfs/dbraw/zinc/99/51/46/920995146.db2.gz	LTXSSDIZLXUOSZ-NEPJUHHUSA-N	2	0	300.403	-1.245	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+][C@H]1CCCNC1=O	ZINC001376642338	921002359	/nfs/dbraw/zinc/00/23/59/921002359.db2.gz	ZBNLGMFHRBDOQU-QWHCGFSZSA-N	2	0	312.414	-1.230	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CC[NH+](C)C	ZINC001376809031	921035317	/nfs/dbraw/zinc/03/53/17/921035317.db2.gz	KRPTVRYWMQJDNV-NXEZZACHSA-N	2	0	301.391	-1.124	20	0		DAADRP
NC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001377471689	921823506	/nfs/dbraw/zinc/82/35/06/921823506.db2.gz	WJGSHDRZZPXEDU-NSHDSACASA-N	2	0	323.397	-1.285	20	0		DAADRP
CC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(N)=O	ZINC001377598894	921844521	/nfs/dbraw/zinc/84/45/21/921844521.db2.gz	XJVIDVFRDUJCSH-JTQLQIEISA-N	2	0	301.391	-1.040	20	0		DAADRP
CC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(N)=O	ZINC001377598897	921844608	/nfs/dbraw/zinc/84/46/08/921844608.db2.gz	XJVIDVFRDUJCSH-SNVBAGLBSA-N	2	0	301.391	-1.040	20	0		DAADRP
C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001378649018	921986598	/nfs/dbraw/zinc/98/65/98/921986598.db2.gz	PZIANKQPFNWKOL-GHMZBOCLSA-N	2	0	310.402	-1.098	20	0		DAADRP
C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001378649026	921989004	/nfs/dbraw/zinc/98/90/04/921989004.db2.gz	PZIANKQPFNWKOL-MNOVXSKESA-N	2	0	310.402	-1.098	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001379208483	922074016	/nfs/dbraw/zinc/07/40/16/922074016.db2.gz	KCYDLCIWWGASOF-JHJVBQTASA-N	2	0	314.430	-1.128	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001379208479	922074170	/nfs/dbraw/zinc/07/41/70/922074170.db2.gz	KCYDLCIWWGASOF-FRRDWIJNSA-N	2	0	314.430	-1.128	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)C1	ZINC001379241031	922091956	/nfs/dbraw/zinc/09/19/56/922091956.db2.gz	JNHXXRJKYAWZPB-VXGBXAGGSA-N	2	0	300.403	-1.517	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)C1	ZINC001379241028	922093349	/nfs/dbraw/zinc/09/33/49/922093349.db2.gz	JNHXXRJKYAWZPB-NWDGAFQWSA-N	2	0	300.403	-1.517	20	0		DAADRP
C[NH+]1CCC(CC(=O)NC[C@H](O)C[NH2+][C@@H]2CCNC2=O)CC1	ZINC001379258429	922100679	/nfs/dbraw/zinc/10/06/79/922100679.db2.gz	PKWHJQDJPIDRGT-CHWSQXEVSA-N	2	0	312.414	-1.327	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001379258944	922103601	/nfs/dbraw/zinc/10/36/01/922103601.db2.gz	NHBUDPULMZLTDF-VXGBXAGGSA-N	2	0	300.403	-1.469	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](O)C[NH2+]CC(N)=O	ZINC001379280326	922111384	/nfs/dbraw/zinc/11/13/84/922111384.db2.gz	CMSILEGBASKRRL-QWRGUYRKSA-N	2	0	302.375	-2.493	20	0		DAADRP
C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001379357917	922132192	/nfs/dbraw/zinc/13/21/92/922132192.db2.gz	KFAHPEXXBYARJK-MWLCHTKSSA-N	2	0	311.386	-1.383	20	0		DAADRP
C[NH+](C)C1(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CC2)CCC1	ZINC001379407716	922158365	/nfs/dbraw/zinc/15/83/65/922158365.db2.gz	CZAFHZPFFUHVDQ-LBPRGKRZSA-N	2	0	312.414	-1.184	20	0		DAADRP
CN1CC[C@H]([NH2+][C@H](CO)CNC(=O)C[N@H+](C)C2CCC2)C1=O	ZINC001379410956	922160743	/nfs/dbraw/zinc/16/07/43/922160743.db2.gz	MDOHYFKYXAQDNJ-AAEUAGOBSA-N	2	0	312.414	-1.232	20	0		DAADRP
C[NH+](C)C1(C(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)CCC1	ZINC001379413980	922163821	/nfs/dbraw/zinc/16/38/21/922163821.db2.gz	SXVICGZGXLTHGW-LBPRGKRZSA-N	2	0	310.402	-1.171	20	0		DAADRP
C[C@H](C[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)CC[NH+](C)C	ZINC001379417954	922164643	/nfs/dbraw/zinc/16/46/43/922164643.db2.gz	JTZMNRRWOJOWRD-LLVKDONJSA-N	2	0	313.402	-2.009	20	0		DAADRP
COC[C@H](O)C[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2	ZINC001379433606	922173566	/nfs/dbraw/zinc/17/35/66/922173566.db2.gz	LBEFGVYTPMUJSN-CHWSQXEVSA-N	2	0	315.414	-1.311	20	0		DAADRP
COC[C@H](O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001379478362	922196448	/nfs/dbraw/zinc/19/64/48/922196448.db2.gz	YVZXHUGSAVEZOI-XDQVBPFNSA-N	2	0	317.430	-1.209	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)[NH2+]CCn2cncn2)C1	ZINC001379503892	922207798	/nfs/dbraw/zinc/20/77/98/922207798.db2.gz	JHOIVVJGNMQACZ-QWHCGFSZSA-N	2	0	310.402	-1.313	20	0		DAADRP
C[C@H]([NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1)C(=O)NC1CC1	ZINC001379528295	922216188	/nfs/dbraw/zinc/21/61/88/922216188.db2.gz	PAGIAKQOXGSOON-AAEUAGOBSA-N	2	0	312.414	-1.184	20	0		DAADRP
C[C@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1)C(=O)NC1CC1	ZINC001379528307	922216520	/nfs/dbraw/zinc/21/65/20/922216520.db2.gz	PAGIAKQOXGSOON-WCQYABFASA-N	2	0	312.414	-1.184	20	0		DAADRP
CC(C)CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001379527540	922217850	/nfs/dbraw/zinc/21/78/50/922217850.db2.gz	NPFUBRYUXHYKBF-STQMWFEESA-N	2	0	314.430	-1.223	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CCN2CCNC2=O)C1	ZINC001379531315	922219841	/nfs/dbraw/zinc/21/98/41/922219841.db2.gz	VQADKLCGBXZBHO-NWDGAFQWSA-N	2	0	313.402	-1.970	20	0		DAADRP
C[C@@H]([NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1)C(=O)NC1CC1	ZINC001379528313	922220965	/nfs/dbraw/zinc/22/09/65/922220965.db2.gz	PAGIAKQOXGSOON-YPMHNXCESA-N	2	0	312.414	-1.184	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](C)NC(=O)COC1CC[NH+](C)CC1	ZINC001379568299	922229214	/nfs/dbraw/zinc/22/92/14/922229214.db2.gz	HQUOJZOSFISWFQ-NSHDSACASA-N	2	0	300.403	-1.063	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001379601976	922232356	/nfs/dbraw/zinc/23/23/56/922232356.db2.gz	WWIWYBSEDNKWOG-WDEREUQCSA-N	2	0	313.402	-1.122	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001379761696	922252048	/nfs/dbraw/zinc/25/20/48/922252048.db2.gz	RWKJHOIZHVDWCT-QWHCGFSZSA-N	2	0	312.414	-1.232	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)[C@@H]1CCC[N@@H+]1C	ZINC001379761697	922252228	/nfs/dbraw/zinc/25/22/28/922252228.db2.gz	RWKJHOIZHVDWCT-STQMWFEESA-N	2	0	312.414	-1.232	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1	ZINC001379785715	922259755	/nfs/dbraw/zinc/25/97/55/922259755.db2.gz	BHJJFQMENNSNGK-LBPRGKRZSA-N	2	0	314.430	-1.032	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C	ZINC001379846973	922280097	/nfs/dbraw/zinc/28/00/97/922280097.db2.gz	XVECVBLMXGJTOZ-VXGBXAGGSA-N	2	0	300.403	-1.422	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1	ZINC001379855639	922281188	/nfs/dbraw/zinc/28/11/88/922281188.db2.gz	CPQCOYXIUKHEKI-GFCCVEGCSA-N	2	0	300.403	-1.373	20	0		DAADRP
C[NH+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC(N)=O)C1	ZINC001380417697	922359451	/nfs/dbraw/zinc/35/94/51/922359451.db2.gz	UEWDLXOPCXHPOV-CQSZACIVSA-N	2	0	313.402	-1.039	20	0		DAADRP
CC[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001380566085	922394347	/nfs/dbraw/zinc/39/43/47/922394347.db2.gz	PGMIITBIRSYSOL-BLLLJJGKSA-N	2	0	324.425	-1.101	20	0		DAADRP
COC[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1	ZINC001380572394	922395303	/nfs/dbraw/zinc/39/53/03/922395303.db2.gz	MCRICZFEXNESDE-UKRRQHHQSA-N	2	0	315.414	-1.358	20	0		DAADRP
C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O	ZINC001380763375	922452022	/nfs/dbraw/zinc/45/20/22/922452022.db2.gz	IIIRSISDGDLRQD-DGCLKSJQSA-N	2	0	312.414	-1.388	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)N(CCO)CC[NH2+][C@H]2CCNC2=O)C1	ZINC001380774129	922456968	/nfs/dbraw/zinc/45/69/68/922456968.db2.gz	NZPUGFLSMHYUKS-STQMWFEESA-N	2	0	312.414	-1.373	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)N(CCO)CC[NH2+][C@@H]2CCNC2=O)C1	ZINC001380773929	922457399	/nfs/dbraw/zinc/45/73/99/922457399.db2.gz	NZPUGFLSMHYUKS-CHWSQXEVSA-N	2	0	312.414	-1.373	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+][C@H]2CCCNC2=O)C1	ZINC001380774438	922458303	/nfs/dbraw/zinc/45/83/03/922458303.db2.gz	PKQOCYARZOYMTH-STQMWFEESA-N	2	0	312.414	-1.373	20	0		DAADRP
CC(C)[C@H](C(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1)[NH+](C)C	ZINC001380913075	922473502	/nfs/dbraw/zinc/47/35/02/922473502.db2.gz	NYYVRHYBDPQSOF-DGCLKSJQSA-N	2	0	300.403	-1.125	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1	ZINC001380917038	922476438	/nfs/dbraw/zinc/47/64/38/922476438.db2.gz	XPMXNVCOOMVGAP-ZIAGYGMSSA-N	2	0	324.425	-1.109	20	0		DAADRP
CNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1	ZINC001381168124	922506840	/nfs/dbraw/zinc/50/68/40/922506840.db2.gz	LYCWHGIOFSUXTR-LBPRGKRZSA-N	2	0	312.414	-1.373	20	0		DAADRP
CC[C@H](C(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1)[NH+](C)C	ZINC001381157905	922506924	/nfs/dbraw/zinc/50/69/24/922506924.db2.gz	WCBYZFPDFWXXIH-LLVKDONJSA-N	2	0	300.403	-1.245	20	0		DAADRP
CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C)CC[N@@H+]1C	ZINC001382207591	922618045	/nfs/dbraw/zinc/61/80/45/922618045.db2.gz	KOJGTTSVOAQDTB-RWMBFGLXSA-N	2	0	314.430	-1.128	20	0		DAADRP
C[C@H]([NH2+][C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C	ZINC001382232364	922632306	/nfs/dbraw/zinc/63/23/06/922632306.db2.gz	CGVPGAOADYIYJY-RYUDHWBXSA-N	2	0	314.430	-1.128	20	0		DAADRP
C[C@H]1C[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C)CC[N@@H+]1C	ZINC001382236719	922634040	/nfs/dbraw/zinc/63/40/40/922634040.db2.gz	OZUODOKQIRIRFJ-RWMBFGLXSA-N	2	0	314.430	-1.128	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCc2ncnn21	ZINC001382237425	922634292	/nfs/dbraw/zinc/63/42/92/922634292.db2.gz	QZOKKUPYGBRULV-NWDGAFQWSA-N	2	0	310.402	-1.216	20	0		DAADRP
CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC)C1	ZINC001382238577	922635559	/nfs/dbraw/zinc/63/55/59/922635559.db2.gz	OCWFQKHQTIIIAO-CHWSQXEVSA-N	2	0	314.430	-1.079	20	0		DAADRP
CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(=O)NC)[NH+](C)C	ZINC001382242723	922637785	/nfs/dbraw/zinc/63/77/85/922637785.db2.gz	OXUNBHYTKOYVPU-ZJUUUORDSA-N	2	0	317.390	-2.151	20	0		DAADRP
O=C(NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O)C12CC[NH+](CC1)C2	ZINC001382268239	922651036	/nfs/dbraw/zinc/65/10/36/922651036.db2.gz	UFFBIKHUNCWIFM-RYUDHWBXSA-N	2	0	310.398	-1.573	20	0		DAADRP
O=C(NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O)C12CC[NH+](CC1)C2	ZINC001382268238	922653027	/nfs/dbraw/zinc/65/30/27/922653027.db2.gz	UFFBIKHUNCWIFM-NWDGAFQWSA-N	2	0	310.398	-1.573	20	0		DAADRP
CCN(CC)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001382270813	922656412	/nfs/dbraw/zinc/65/64/12/922656412.db2.gz	DRPYYXARJKLTQM-QWHCGFSZSA-N	2	0	314.430	-1.127	20	0		DAADRP
CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1	ZINC001382269726	922657329	/nfs/dbraw/zinc/65/73/29/922657329.db2.gz	ASLYEADLYJGWIR-GFCCVEGCSA-N	2	0	300.403	-1.373	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(C)(C)C)C1	ZINC001382273624	922658789	/nfs/dbraw/zinc/65/87/89/922658789.db2.gz	LRXSJPFGTPOAAU-VXGBXAGGSA-N	2	0	314.430	-1.081	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC2CC2)C1	ZINC001382275831	922661191	/nfs/dbraw/zinc/66/11/91/922661191.db2.gz	UGDKXPXKXUPEBX-QWHCGFSZSA-N	2	0	312.414	-1.469	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC2CC2)C1	ZINC001382275829	922662735	/nfs/dbraw/zinc/66/27/35/922662735.db2.gz	UGDKXPXKXUPEBX-OLZOCXBDSA-N	2	0	312.414	-1.469	20	0		DAADRP
Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1=O	ZINC001382276841	922662909	/nfs/dbraw/zinc/66/29/09/922662909.db2.gz	YYUFGAPHEJOMLR-KBPBESRZSA-N	2	0	322.409	-1.096	20	0		DAADRP
Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1=O	ZINC001382276843	922663176	/nfs/dbraw/zinc/66/31/76/922663176.db2.gz	YYUFGAPHEJOMLR-KGLIPLIRSA-N	2	0	322.409	-1.096	20	0		DAADRP
CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC)CC[N@@H+]1C	ZINC001382404189	922725921	/nfs/dbraw/zinc/72/59/21/922725921.db2.gz	ZWTCQGQPHLZSMG-FRRDWIJNSA-N	2	0	314.430	-1.128	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)C1CC[NH+](C)CC1	ZINC001382414405	922734938	/nfs/dbraw/zinc/73/49/38/922734938.db2.gz	OMURVKCIIVAEFB-QWHCGFSZSA-N	2	0	312.414	-1.374	20	0		DAADRP
CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001382433659	922748872	/nfs/dbraw/zinc/74/88/72/922748872.db2.gz	LKBKFFOTESUWTO-NXEZZACHSA-N	2	0	317.390	-2.070	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)C[NH+]1CCCC1	ZINC001382445791	922759750	/nfs/dbraw/zinc/75/97/50/922759750.db2.gz	RFUCQAAENHDLJU-OLZOCXBDSA-N	2	0	312.414	-1.230	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]Cc1cnnn1C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001382444892	922760539	/nfs/dbraw/zinc/76/05/39/922760539.db2.gz	POGFGDJYENUZOE-AAEUAGOBSA-N	2	0	310.402	-1.324	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)NC(=O)Cc2ncc[nH]2)C1	ZINC001382627071	922823063	/nfs/dbraw/zinc/82/30/63/922823063.db2.gz	BVNIPTJPEZVENX-NEPJUHHUSA-N	2	0	323.397	-1.113	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)NC(=O)Cc2ncc[nH]2)C1	ZINC001382627087	922823072	/nfs/dbraw/zinc/82/30/72/922823072.db2.gz	BVNIPTJPEZVENX-RYUDHWBXSA-N	2	0	323.397	-1.113	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001383901155	922965267	/nfs/dbraw/zinc/96/52/67/922965267.db2.gz	YWXOGDHJGWTJPE-RYUDHWBXSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[NH+](C)C1	ZINC001383923156	922976806	/nfs/dbraw/zinc/97/68/06/922976806.db2.gz	CYXSRMOEKCMFHF-STQMWFEESA-N	2	0	314.430	-1.128	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[NH+](C)C1	ZINC001383926284	922979906	/nfs/dbraw/zinc/97/99/06/922979906.db2.gz	KVTSIMYJUPCUCI-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O	ZINC001384008291	923020915	/nfs/dbraw/zinc/02/09/15/923020915.db2.gz	NIAMDBHPGUTHBY-CHWSQXEVSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1	ZINC001388698306	923494957	/nfs/dbraw/zinc/49/49/57/923494957.db2.gz	SOUBZMRHINZBOQ-UPJWGTAASA-N	2	0	312.414	-1.076	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[NH+](C)C1	ZINC001389095909	923550839	/nfs/dbraw/zinc/55/08/39/923550839.db2.gz	ILJQNSUBLGZGPZ-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1	ZINC001389980831	923705691	/nfs/dbraw/zinc/70/56/91/923705691.db2.gz	AADRAPKRQNBBSX-AOOOYVTPSA-N	2	0	311.386	-1.240	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1	ZINC001389969601	923706015	/nfs/dbraw/zinc/70/60/15/923706015.db2.gz	HPPSPQKQRJILOK-GRYCIOLGSA-N	2	0	323.397	-1.240	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+][C@H]1CCNC1=O	ZINC001391221381	923818813	/nfs/dbraw/zinc/81/88/13/923818813.db2.gz	PXPRQMPHUHLTHP-OLZOCXBDSA-N	2	0	312.414	-1.109	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+][C@H]1CCNC1=O	ZINC001391221387	923820000	/nfs/dbraw/zinc/82/00/00/923820000.db2.gz	PXPRQMPHUHLTHP-STQMWFEESA-N	2	0	312.414	-1.109	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NCC2CN(CCNS(C)(=O)=O)C2)C1	ZINC001391515225	923850713	/nfs/dbraw/zinc/85/07/13/923850713.db2.gz	NNDGELFZROLGRJ-GFCCVEGCSA-N	2	0	318.443	-1.465	20	0		DAADRP
CC[NH+](CC)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001392099932	923933851	/nfs/dbraw/zinc/93/38/51/923933851.db2.gz	QYHQNFCFXYXZNX-OLZOCXBDSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001392149745	923944525	/nfs/dbraw/zinc/94/45/25/923944525.db2.gz	ZHKOOHGJQZANLR-CHWSQXEVSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001392149754	923944815	/nfs/dbraw/zinc/94/48/15/923944815.db2.gz	ZHKOOHGJQZANLR-QWHCGFSZSA-N	2	0	314.430	-1.127	20	0		DAADRP
CCCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001392365718	923977634	/nfs/dbraw/zinc/97/76/34/923977634.db2.gz	OCNUGOLUQIEEGN-NEPJUHHUSA-N	2	0	300.403	-1.327	20	0		DAADRP
O=C(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N1CCC1	ZINC001392374419	923985089	/nfs/dbraw/zinc/98/50/89/923985089.db2.gz	KBAXTHJKPKXBLG-ZIAGYGMSSA-N	2	0	324.425	-1.373	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1	ZINC001392389998	924004199	/nfs/dbraw/zinc/00/41/99/924004199.db2.gz	FXWRNQJFUFKHQA-GFCCVEGCSA-N	2	0	300.403	-1.517	20	0		DAADRP
C[C@H]1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)CC[N@@H+]1C	ZINC001392396741	924009627	/nfs/dbraw/zinc/00/96/27/924009627.db2.gz	UBVPIYAMRUNUTQ-AVGNSLFASA-N	2	0	314.430	-1.128	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1	ZINC001392396198	924010153	/nfs/dbraw/zinc/01/01/53/924010153.db2.gz	UUAUALQFRIIQAL-GFCCVEGCSA-N	2	0	300.403	-1.373	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1	ZINC001392408621	924015647	/nfs/dbraw/zinc/01/56/47/924015647.db2.gz	LQCQMSSAPNQCDV-GFCCVEGCSA-N	2	0	300.403	-1.469	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCC(C)CC1	ZINC001392413353	924019442	/nfs/dbraw/zinc/01/94/42/924019442.db2.gz	RPNUFKRRARDEBJ-QWHCGFSZSA-N	2	0	314.430	-1.081	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCC(C)CC1	ZINC001392413346	924019509	/nfs/dbraw/zinc/01/95/09/924019509.db2.gz	RPNUFKRRARDEBJ-CHWSQXEVSA-N	2	0	314.430	-1.081	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001392429981	924031979	/nfs/dbraw/zinc/03/19/79/924031979.db2.gz	SQOFDDYVAFBNAI-ZJUUUORDSA-N	2	0	315.374	-2.540	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NC(N)=O)CC2)CC[N@@H+]1C	ZINC001392906931	924095206	/nfs/dbraw/zinc/09/52/06/924095206.db2.gz	FFGUSSDPQUDRNQ-NXEZZACHSA-N	2	0	311.386	-1.240	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCCNC2=O)C1	ZINC001393271899	924143008	/nfs/dbraw/zinc/14/30/08/924143008.db2.gz	HOOCNMXVGLADER-IUODEOHRSA-N	2	0	312.414	-1.230	20	0		DAADRP
CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001393277018	924147615	/nfs/dbraw/zinc/14/76/15/924147615.db2.gz	AFKHGTNAVILBRV-LRDDRELGSA-N	2	0	324.425	-1.230	20	0		DAADRP
COC[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C1	ZINC001393283883	924156812	/nfs/dbraw/zinc/15/68/12/924156812.db2.gz	TVVYMRJYOUBZHY-UKRRQHHQSA-N	2	0	317.430	-1.113	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C	ZINC001393469717	924213457	/nfs/dbraw/zinc/21/34/57/924213457.db2.gz	ZPAWESRNMUBPNA-NEPJUHHUSA-N	2	0	300.403	-1.374	20	0		DAADRP
O=C(C[NH+]1CCCC1)N(CCO)CC[NH2+][C@@H]1CCCNC1=O	ZINC001393486197	924217127	/nfs/dbraw/zinc/21/71/27/924217127.db2.gz	XKGGPNDPFPUZHC-CYBMUJFWSA-N	2	0	312.414	-1.229	20	0		DAADRP
NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1	ZINC001393575464	924227641	/nfs/dbraw/zinc/22/76/41/924227641.db2.gz	DCQDRIKINCFHPA-OLZOCXBDSA-N	2	0	310.398	-1.370	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CCO1	ZINC001393582247	924231369	/nfs/dbraw/zinc/23/13/69/924231369.db2.gz	FGRGAMUKSWALMR-CHWSQXEVSA-N	2	0	312.414	-1.109	20	0		DAADRP
C[NH+](C)CC1(C(=O)N2CCC[C@](CO)([NH2+]CC(N)=O)C2)CC1	ZINC001393691879	924245111	/nfs/dbraw/zinc/24/51/11/924245111.db2.gz	KQGSLHPBKBSJBM-HNNXBMFYSA-N	2	0	312.414	-1.243	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C	ZINC001393964125	924271044	/nfs/dbraw/zinc/27/10/44/924271044.db2.gz	BQBYGYDZCGSBGF-ZJUUUORDSA-N	2	0	301.391	-1.124	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C	ZINC001393964118	924271430	/nfs/dbraw/zinc/27/14/30/924271430.db2.gz	BQBYGYDZCGSBGF-UWVGGRQHSA-N	2	0	301.391	-1.124	20	0		DAADRP
C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NC(N)=O	ZINC001394472421	924304345	/nfs/dbraw/zinc/30/43/45/924304345.db2.gz	AWBAZYRUOBVFKM-HBNTYKKESA-N	2	0	313.402	-1.042	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCN1CCCC1=O	ZINC001394585331	924322461	/nfs/dbraw/zinc/32/24/61/924322461.db2.gz	YONCMVOORPIPTK-STQMWFEESA-N	2	0	312.414	-1.230	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCN1CCCC1=O	ZINC001394585324	924322569	/nfs/dbraw/zinc/32/25/69/924322569.db2.gz	YONCMVOORPIPTK-QWHCGFSZSA-N	2	0	312.414	-1.230	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCN1CCCC1=O	ZINC001394585312	924322747	/nfs/dbraw/zinc/32/27/47/924322747.db2.gz	YONCMVOORPIPTK-CHWSQXEVSA-N	2	0	312.414	-1.230	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1	ZINC001394607688	924335043	/nfs/dbraw/zinc/33/50/43/924335043.db2.gz	PBUAUJUBGYOJAL-GHMZBOCLSA-N	2	0	300.403	-1.328	20	0		DAADRP
CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1	ZINC001394614280	924340343	/nfs/dbraw/zinc/34/03/43/924340343.db2.gz	WQIMREMHGAMEKX-LLVKDONJSA-N	2	0	300.403	-1.374	20	0		DAADRP
CN1CCC[C@@H]([NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)C1=O	ZINC001394624337	924344055	/nfs/dbraw/zinc/34/40/55/924344055.db2.gz	WLDOFPOIOBXGGK-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)CC1CC[NH+](C)CC1	ZINC001394633801	924347099	/nfs/dbraw/zinc/34/70/99/924347099.db2.gz	SNMICDBHUWZTRI-YPMHNXCESA-N	2	0	314.430	-1.081	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@@H](CO)[NH2+][C@H]1CCN(C)C1=O	ZINC001394645325	924353455	/nfs/dbraw/zinc/35/34/55/924353455.db2.gz	VACFOOWMDOMIPL-RYUDHWBXSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1)C(N)=O	ZINC001394745529	924373979	/nfs/dbraw/zinc/37/39/79/924373979.db2.gz	WWLIPIZKGJESHU-QWRGUYRKSA-N	2	0	300.403	-1.247	20	0		DAADRP
COC[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2	ZINC001394758673	924380216	/nfs/dbraw/zinc/38/02/16/924380216.db2.gz	QFRJDNAMJLDZOX-QWHCGFSZSA-N	2	0	315.414	-1.502	20	0		DAADRP
CN(C[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001396036100	924503558	/nfs/dbraw/zinc/50/35/58/924503558.db2.gz	NKIAPSXNHRZJDU-CHWSQXEVSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O	ZINC001396389250	924517411	/nfs/dbraw/zinc/51/74/11/924517411.db2.gz	BQTGHSSLNKTILX-VXGBXAGGSA-N	2	0	300.403	-1.422	20	0		DAADRP
CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C	ZINC001398526576	924647176	/nfs/dbraw/zinc/64/71/76/924647176.db2.gz	ALTCAOPAGFISPE-WDEREUQCSA-N	2	0	313.402	-1.027	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[NH+](C)C1	ZINC001399857448	924747436	/nfs/dbraw/zinc/74/74/36/924747436.db2.gz	SBVMZKTUVKHSBX-CHWSQXEVSA-N	2	0	314.430	-1.127	20	0		DAADRP
CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)NC(=O)NC	ZINC001400868213	924833328	/nfs/dbraw/zinc/83/33/28/924833328.db2.gz	XIBHNOPGPQYWKL-SNVBAGLBSA-N	2	0	301.391	-1.122	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001401518991	924874564	/nfs/dbraw/zinc/87/45/64/924874564.db2.gz	YNKWTJJGRZFFDN-FRRDWIJNSA-N	2	0	314.430	-1.081	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](O)CNC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001401536780	924876921	/nfs/dbraw/zinc/87/69/21/924876921.db2.gz	IZOVHRAKZJYOGG-RYUDHWBXSA-N	2	0	300.403	-1.327	20	0		DAADRP
CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H](O)C[NH2+]CC(N)=O	ZINC001401534319	924877715	/nfs/dbraw/zinc/87/77/15/924877715.db2.gz	BIIVXEVVPNRBLN-NSHDSACASA-N	2	0	316.402	-2.103	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C	ZINC001401541161	924878776	/nfs/dbraw/zinc/87/87/76/924878776.db2.gz	NXOLKQCTNXWTQM-NWDGAFQWSA-N	2	0	300.403	-1.327	20	0		DAADRP
CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O	ZINC001401560282	924889876	/nfs/dbraw/zinc/88/98/76/924889876.db2.gz	NKTMNKIWMKSGTM-RYUDHWBXSA-N	2	0	300.403	-1.199	20	0		DAADRP
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O	ZINC001401560264	924891136	/nfs/dbraw/zinc/89/11/36/924891136.db2.gz	NKTMNKIWMKSGTM-NWDGAFQWSA-N	2	0	300.403	-1.199	20	0		DAADRP
CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1	ZINC001401563100	924891954	/nfs/dbraw/zinc/89/19/54/924891954.db2.gz	VMHHJXMEZIUNOL-QMTHXVAHSA-N	2	0	318.393	-1.249	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C	ZINC001401563520	924892161	/nfs/dbraw/zinc/89/21/61/924892161.db2.gz	UIMMFRLVWQGNDY-SECBINFHSA-N	2	0	303.363	-2.540	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001401562057	924893233	/nfs/dbraw/zinc/89/32/33/924893233.db2.gz	TZWZQGIFXUHRIG-OLZOCXBDSA-N	2	0	314.430	-1.081	20	0		DAADRP
CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C2(C[NH+](C)C)CC2)C1=O	ZINC001401575069	924899222	/nfs/dbraw/zinc/89/92/22/924899222.db2.gz	RLCCZINSQGDGKN-VXGBXAGGSA-N	2	0	312.414	-1.374	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)C1	ZINC001401581485	924901007	/nfs/dbraw/zinc/90/10/07/924901007.db2.gz	KZPDWQYWHJTDBR-AAEUAGOBSA-N	2	0	312.414	-1.327	20	0		DAADRP
CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CCN(CC(N)=O)C1	ZINC001402310018	924971695	/nfs/dbraw/zinc/97/16/95/924971695.db2.gz	HWYBEHMEHXOUQW-WFASDCNBSA-N	2	0	312.414	-1.101	20	0		DAADRP
NC(=O)NC(=O)C[N@H+]1C[C@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2C1	ZINC001402427121	924994756	/nfs/dbraw/zinc/99/47/56/924994756.db2.gz	ZNGZYTIQWXEYJZ-AOOOYVTPSA-N	2	0	320.353	-1.463	20	0		DAADRP
COC[C@@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1	ZINC001402711410	925024119	/nfs/dbraw/zinc/02/41/19/925024119.db2.gz	BSWCTOTZNIFRAN-ZFWWWQNUSA-N	2	0	317.430	-1.112	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(N)=O	ZINC001403624184	925090576	/nfs/dbraw/zinc/09/05/76/925090576.db2.gz	OEMMXEHRMCDPFT-JTQLQIEISA-N	2	0	301.391	-1.042	20	0		DAADRP
CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1	ZINC001403667171	925106407	/nfs/dbraw/zinc/10/64/07/925106407.db2.gz	JPEZALIIAQDMRZ-NSHDSACASA-N	2	0	300.403	-1.327	20	0		DAADRP
C[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCCNC2=O)CC1	ZINC001403693453	925117629	/nfs/dbraw/zinc/11/76/29/925117629.db2.gz	BQQBGZBDNXRKED-CHWSQXEVSA-N	2	0	312.414	-1.327	20	0		DAADRP
C[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+][C@H]2CCCNC2=O)CC1	ZINC001403693465	925119171	/nfs/dbraw/zinc/11/91/71/925119171.db2.gz	BQQBGZBDNXRKED-OLZOCXBDSA-N	2	0	312.414	-1.327	20	0		DAADRP
CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1	ZINC001403714042	925127070	/nfs/dbraw/zinc/12/70/70/925127070.db2.gz	VNWWAGZOBISVLD-LLVKDONJSA-N	2	0	300.403	-1.517	20	0		DAADRP
O=C(C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)NCC1CC1	ZINC001403724195	925130351	/nfs/dbraw/zinc/13/03/51/925130351.db2.gz	KPSARUJXVFOHFV-CYBMUJFWSA-N	2	0	324.425	-1.325	20	0		DAADRP
CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001403731934	925131773	/nfs/dbraw/zinc/13/17/73/925131773.db2.gz	RCICLEMJHPQSHR-STQMWFEESA-N	2	0	314.430	-1.081	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2	ZINC001403875087	925159323	/nfs/dbraw/zinc/15/93/23/925159323.db2.gz	FFMOORGYOVQJHY-NWDGAFQWSA-N	2	0	312.414	-1.374	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)C(C)C	ZINC001403873017	925160736	/nfs/dbraw/zinc/16/07/36/925160736.db2.gz	FFMPZQDORUBMGG-NEPJUHHUSA-N	2	0	302.419	-1.130	20	0		DAADRP
C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)COC1CC[NH+](C)CC1	ZINC001403887638	925165095	/nfs/dbraw/zinc/16/50/95/925165095.db2.gz	YPIBXHVHQNBWTP-QWHCGFSZSA-N	2	0	317.430	-1.113	20	0		DAADRP
CN(C[C@H](O)C[N@H+](C)[C@@H]1CCNC1=O)C(=O)CC[NH+](C)C	ZINC001403891293	925165520	/nfs/dbraw/zinc/16/55/20/925165520.db2.gz	BVBXGMDQQDTCGQ-VXGBXAGGSA-N	2	0	300.403	-1.422	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO	ZINC001403924008	925172404	/nfs/dbraw/zinc/17/24/04/925172404.db2.gz	YAPJXEIOPIHHLX-KBPBESRZSA-N	2	0	317.430	-1.302	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1	ZINC001404041528	925180585	/nfs/dbraw/zinc/18/05/85/925180585.db2.gz	PCQBLVRBUDYNEN-WDEREUQCSA-N	2	0	311.386	-1.286	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)Cc2ncc[nH]2)CC[N@@H+]1C	ZINC001405292661	925280247	/nfs/dbraw/zinc/28/02/47/925280247.db2.gz	QRRGHUCVNSUKEY-GRYCIOLGSA-N	2	0	323.397	-1.114	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)C[NH+]1CCCC1	ZINC001405380136	925302350	/nfs/dbraw/zinc/30/23/50/925302350.db2.gz	XINKQIMHYCEABT-LBPRGKRZSA-N	2	0	300.403	-1.373	20	0		DAADRP
NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1	ZINC001406253166	925376804	/nfs/dbraw/zinc/37/68/04/925376804.db2.gz	WYIQAIKVWOCZOA-QWHCGFSZSA-N	2	0	312.414	-1.055	20	0		DAADRP
CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O	ZINC001406254106	925379605	/nfs/dbraw/zinc/37/96/05/925379605.db2.gz	MTPBUGGENQRIQU-NEPJUHHUSA-N	2	0	300.403	-1.341	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1	ZINC001406263863	925383388	/nfs/dbraw/zinc/38/33/88/925383388.db2.gz	FZDHGAQQLVCJQJ-GHMZBOCLSA-N	2	0	300.403	-1.471	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1	ZINC001406266536	925385122	/nfs/dbraw/zinc/38/51/22/925385122.db2.gz	MOYKTODHLJFZON-WCQYABFASA-N	2	0	314.430	-1.081	20	0		DAADRP
C[NH+](C)CCCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O	ZINC001406275743	925390655	/nfs/dbraw/zinc/39/06/55/925390655.db2.gz	VNMCMBUVIGHZTD-RYUDHWBXSA-N	2	0	300.403	-1.327	20	0		DAADRP
CC(C)N(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001406284160	925394436	/nfs/dbraw/zinc/39/44/36/925394436.db2.gz	JXZQMMNUQONPGP-OLZOCXBDSA-N	2	0	314.430	-1.128	20	0		DAADRP
CC(C)N(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001406284148	925395008	/nfs/dbraw/zinc/39/50/08/925395008.db2.gz	JXZQMMNUQONPGP-CHWSQXEVSA-N	2	0	314.430	-1.128	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C(C)C)CC1	ZINC001406297092	925399706	/nfs/dbraw/zinc/39/97/06/925399706.db2.gz	ZMWFJFRIRGPHDU-ZDUSSCGKSA-N	2	0	314.430	-1.081	20	0		DAADRP
C[C@@H]([NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1)C(=O)NC(N)=O	ZINC001406992857	925446442	/nfs/dbraw/zinc/44/64/42/925446442.db2.gz	YLERIYRCYSLCBH-SNVBAGLBSA-N	2	0	323.397	-1.096	20	0		DAADRP
COC[C@@H](C)N1CC(O)(CNC(=O)CCN2CCOCC2)C1	ZINC001407429662	925492058	/nfs/dbraw/zinc/49/20/58/925492058.db2.gz	JOKQZJFQPLXWPS-CYBMUJFWSA-N	2	0	315.414	-1.094	20	0		DAADRP
C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C	ZINC001407664478	925516148	/nfs/dbraw/zinc/51/61/48/925516148.db2.gz	COEAOVUFSLMRBV-CHWSQXEVSA-N	2	0	314.430	-1.175	20	0		DAADRP
C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C	ZINC001407664495	925516693	/nfs/dbraw/zinc/51/66/93/925516693.db2.gz	COEAOVUFSLMRBV-QWHCGFSZSA-N	2	0	314.430	-1.175	20	0		DAADRP
C[NH+]1CCC(C(=O)N(CCO)CC[NH2+][C@H]2CCNC2=O)CC1	ZINC001407669861	925516927	/nfs/dbraw/zinc/51/69/27/925516927.db2.gz	XRWARPQHKNSRKE-ZDUSSCGKSA-N	2	0	312.414	-1.373	20	0		DAADRP
CN1CCC[C@H]([NH2+]CCN(CCO)C(=O)CC[NH+](C)C)C1=O	ZINC001407664409	925517520	/nfs/dbraw/zinc/51/75/20/925517520.db2.gz	RIWBALWEXDIPNU-ZDUSSCGKSA-N	2	0	314.430	-1.031	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1	ZINC001408147392	925550748	/nfs/dbraw/zinc/55/07/48/925550748.db2.gz	WGSSZLCYAHESDE-LBPRGKRZSA-N	2	0	312.414	-1.101	20	0		DAADRP
C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]CC(=O)NC(N)=O	ZINC001410429545	925718984	/nfs/dbraw/zinc/71/89/84/925718984.db2.gz	DFVNHSPVJAVGGC-JTQLQIEISA-N	2	0	301.391	-1.040	20	0		DAADRP
CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001410641802	925745473	/nfs/dbraw/zinc/74/54/73/925745473.db2.gz	CCTDWZZPGPZCCZ-STQMWFEESA-N	2	0	312.414	-1.517	20	0		DAADRP
CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001410641791	925746238	/nfs/dbraw/zinc/74/62/38/925746238.db2.gz	CCTDWZZPGPZCCZ-CHWSQXEVSA-N	2	0	312.414	-1.517	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCCC1	ZINC001410727278	925766802	/nfs/dbraw/zinc/76/68/02/925766802.db2.gz	JMBCNGWHCICJJA-LBPRGKRZSA-N	2	0	300.403	-1.373	20	0		DAADRP
C[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CC2)CC1	ZINC001410725561	925767996	/nfs/dbraw/zinc/76/79/96/925767996.db2.gz	IACRSLASJPGPEF-ZDUSSCGKSA-N	2	0	312.414	-1.327	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCS(=O)(=O)C1	ZINC001410735363	925769161	/nfs/dbraw/zinc/76/91/61/925769161.db2.gz	SKBWXXBCKYRMOF-NWDGAFQWSA-N	2	0	321.443	-1.561	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCS(=O)(=O)C1	ZINC001410735361	925770248	/nfs/dbraw/zinc/77/02/48/925770248.db2.gz	SKBWXXBCKYRMOF-NEPJUHHUSA-N	2	0	321.443	-1.561	20	0		DAADRP
C[C@@H]([NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)C(=O)NC(N)=O	ZINC001410728752	925770265	/nfs/dbraw/zinc/77/02/65/925770265.db2.gz	KFDGSMWJOYBMQH-RKDXNWHRSA-N	2	0	303.363	-2.412	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCS(=O)(=O)C1	ZINC001410735365	925771531	/nfs/dbraw/zinc/77/15/31/925771531.db2.gz	SKBWXXBCKYRMOF-RYUDHWBXSA-N	2	0	321.443	-1.561	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCC2)C1	ZINC001410754554	925771841	/nfs/dbraw/zinc/77/18/41/925771841.db2.gz	OTMHBJOZYQYNLC-CHWSQXEVSA-N	2	0	312.414	-1.373	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1	ZINC001410775895	925778879	/nfs/dbraw/zinc/77/88/79/925778879.db2.gz	APHBGFUAAFFZPK-VIFPVBQESA-N	2	0	301.347	-2.656	20	0		DAADRP
C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)C1CCC1)C(N)=O	ZINC001411036814	925803434	/nfs/dbraw/zinc/80/34/34/925803434.db2.gz	BSRREHCTTIDDBF-ZYHUDNBSSA-N	2	0	300.403	-1.247	20	0		DAADRP
COC[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001411084603	925809731	/nfs/dbraw/zinc/80/97/31/925809731.db2.gz	FLKMIGNSOMEYLG-YNEHKIRRSA-N	2	0	303.403	-1.503	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)C1(C[NH+](C)C)CC1	ZINC001411101630	925814251	/nfs/dbraw/zinc/81/42/51/925814251.db2.gz	WREWPZCUXRJTGT-VXGBXAGGSA-N	2	0	312.414	-1.374	20	0		DAADRP
C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1)C(=O)N(C)C	ZINC001411131547	925818046	/nfs/dbraw/zinc/81/80/46/925818046.db2.gz	WQKHFCULEYRSKU-OLZOCXBDSA-N	2	0	314.430	-1.032	20	0		DAADRP
CCC[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH+](C)[C@H]1CCNC1=O	ZINC001411180206	925829131	/nfs/dbraw/zinc/82/91/31/925829131.db2.gz	OEYUIJBOMVNAOI-OLZOCXBDSA-N	2	0	314.430	-1.032	20	0		DAADRP
CCC[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+](C)[C@@H]1CCNC1=O	ZINC001411180210	925830816	/nfs/dbraw/zinc/83/08/16/925830816.db2.gz	OEYUIJBOMVNAOI-QWHCGFSZSA-N	2	0	314.430	-1.032	20	0		DAADRP
CN(C[C@@H](O)C[N@H+](C)[C@H]1CCCNC1=O)C(=O)CC[NH+](C)C	ZINC001411190838	925831496	/nfs/dbraw/zinc/83/14/96/925831496.db2.gz	NOAAAPOWLLYPGU-STQMWFEESA-N	2	0	314.430	-1.032	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001417779662	926336365	/nfs/dbraw/zinc/33/63/65/926336365.db2.gz	XKOYHOQZRVBBNY-PHIMTYICSA-N	2	0	323.397	-1.239	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1	ZINC001418073455	926363213	/nfs/dbraw/zinc/36/32/13/926363213.db2.gz	GARGMAJYIBJHLQ-PGUXBMHVSA-N	2	0	323.397	-1.096	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001418330329	926383351	/nfs/dbraw/zinc/38/33/51/926383351.db2.gz	LBNGPWBBCVNUIB-QWRGUYRKSA-N	2	0	311.386	-1.144	20	0		DAADRP
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001419367949	926473362	/nfs/dbraw/zinc/47/33/62/926473362.db2.gz	LBNGPWBBCVNUIB-WDEREUQCSA-N	2	0	311.386	-1.144	20	0		DAADRP
C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CC(=O)NC(N)=O	ZINC001419517550	926481767	/nfs/dbraw/zinc/48/17/67/926481767.db2.gz	LVDCXNJEMSMYEE-JTQLQIEISA-N	2	0	313.402	-1.135	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C1CCC1	ZINC001420138621	926538522	/nfs/dbraw/zinc/53/85/22/926538522.db2.gz	LWORUSBRGTUGPT-CMPLNLGQSA-N	2	0	300.403	-1.328	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C1CCC1	ZINC001420138630	926540057	/nfs/dbraw/zinc/54/00/57/926540057.db2.gz	LWORUSBRGTUGPT-PWSUYJOCSA-N	2	0	300.403	-1.328	20	0		DAADRP
O=C(NC[C@@H](O)C[NH2+][C@H]1CCNC1=O)C12CCC[NH+](CCC1)C2	ZINC001420139820	926540328	/nfs/dbraw/zinc/54/03/28/926540328.db2.gz	BZTJJNFPNYZMGP-STQMWFEESA-N	2	0	324.425	-1.182	20	0		DAADRP
O=C(NC[C@H](O)C[NH2+][C@H]1CCNC1=O)C12CCC[NH+](CCC1)C2	ZINC001420139814	926540671	/nfs/dbraw/zinc/54/06/71/926540671.db2.gz	BZTJJNFPNYZMGP-OLZOCXBDSA-N	2	0	324.425	-1.182	20	0		DAADRP
CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C23CCC[NH+]2CCC3)C1=O	ZINC001420150668	926543701	/nfs/dbraw/zinc/54/37/01/926543701.db2.gz	GJMGXCXEZPUMBD-OLZOCXBDSA-N	2	0	324.425	-1.088	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C	ZINC001420153293	926543835	/nfs/dbraw/zinc/54/38/35/926543835.db2.gz	ZYMDJNHKUSJWEJ-NXEZZACHSA-N	2	0	317.390	-2.151	20	0		DAADRP
CN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)C23CCC[NH+]2CCC3)C1=O	ZINC001420150690	926544630	/nfs/dbraw/zinc/54/46/30/926544630.db2.gz	GJMGXCXEZPUMBD-STQMWFEESA-N	2	0	324.425	-1.088	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C	ZINC001420153366	926544665	/nfs/dbraw/zinc/54/46/65/926544665.db2.gz	ZYMDJNHKUSJWEJ-ZJUUUORDSA-N	2	0	317.390	-2.151	20	0		DAADRP
CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(=O)NC)[NH+](C)C	ZINC001420161283	926546641	/nfs/dbraw/zinc/54/66/41/926546641.db2.gz	VZMPHBUWAYLAJV-VHSXEESVSA-N	2	0	317.390	-2.151	20	0		DAADRP
CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(=O)NC)[NH+](C)C	ZINC001420161280	926546968	/nfs/dbraw/zinc/54/69/68/926546968.db2.gz	VZMPHBUWAYLAJV-NXEZZACHSA-N	2	0	317.390	-2.151	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2	ZINC001420163376	926548696	/nfs/dbraw/zinc/54/86/96/926548696.db2.gz	WECFQSNFHCWJGP-GFCCVEGCSA-N	2	0	312.414	-1.230	20	0		DAADRP
COC[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+]1CCC2	ZINC001420164312	926549222	/nfs/dbraw/zinc/54/92/22/926549222.db2.gz	YNYNYQCLKGOIPD-STQMWFEESA-N	2	0	315.414	-1.311	20	0		DAADRP
O=C(CC[NH+]1CCCCC1)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O	ZINC001420221535	926568769	/nfs/dbraw/zinc/56/87/69/926568769.db2.gz	YAFSYCZFMDXZGM-QWHCGFSZSA-N	2	0	312.414	-1.182	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(=O)NC	ZINC001420501988	926596920	/nfs/dbraw/zinc/59/69/20/926596920.db2.gz	NQVLHAMULAYYHV-JTQLQIEISA-N	2	0	301.391	-1.122	20	0		DAADRP
CC[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH2+]CC(N)=O	ZINC001421490117	926716959	/nfs/dbraw/zinc/71/69/59/926716959.db2.gz	NODGYRBXALLLCV-VXGBXAGGSA-N	2	0	300.403	-1.076	20	0		DAADRP
CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)C[NH+]2CCCC2)C1=O	ZINC001421640523	926739778	/nfs/dbraw/zinc/73/97/78/926739778.db2.gz	CDSQXFVASVJTKH-CYBMUJFWSA-N	2	0	312.414	-1.277	20	0		DAADRP
O=C([C@H]1C[NH+]2CCC1CC2)N(CCO)CC[NH2+][C@@H]1CCNC1=O	ZINC001421639065	926740049	/nfs/dbraw/zinc/74/00/49/926740049.db2.gz	VNRGLNDCTMSHGV-UONOGXRCSA-N	2	0	324.425	-1.373	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001421674081	926742733	/nfs/dbraw/zinc/74/27/33/926742733.db2.gz	IYOCKWOHJHLXGG-QWRGUYRKSA-N	2	0	313.402	-1.122	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001421765468	926751649	/nfs/dbraw/zinc/75/16/49/926751649.db2.gz	GDXPMROTJPWEMM-GHMZBOCLSA-N	2	0	313.402	-1.264	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001421801767	926758040	/nfs/dbraw/zinc/75/80/40/926758040.db2.gz	KRCMBHUPOSEGJO-NWDGAFQWSA-N	2	0	300.403	-1.110	20	0		DAADRP
C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)C(=O)NC(N)=O	ZINC001421936952	926774222	/nfs/dbraw/zinc/77/42/22/926774222.db2.gz	QKPXDWXBYLRCRD-VHSXEESVSA-N	2	0	301.391	-1.042	20	0		DAADRP
C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C1(C[NH+](C)C)CC1	ZINC001421951609	926774512	/nfs/dbraw/zinc/77/45/12/926774512.db2.gz	WJZIFKKJEUAHLF-SNVBAGLBSA-N	2	0	313.402	-1.040	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C	ZINC001421941100	926775239	/nfs/dbraw/zinc/77/52/39/926775239.db2.gz	UXLUNAVQCQIFAJ-JTQLQIEISA-N	2	0	301.391	-1.170	20	0		DAADRP
NC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1	ZINC001421974980	926779435	/nfs/dbraw/zinc/77/94/35/926779435.db2.gz	ZPRNDCWAVXWDDT-CZUORRHYSA-N	2	0	324.425	-1.243	20	0		DAADRP
C[NH+](C)CCC(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1	ZINC001422104317	926789560	/nfs/dbraw/zinc/78/95/60/926789560.db2.gz	SQRYSQZSODQRQA-GFCCVEGCSA-N	2	0	312.414	-1.230	20	0		DAADRP
CCC[N@H+](C)CC(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1	ZINC001422109992	926790666	/nfs/dbraw/zinc/79/06/66/926790666.db2.gz	XKQSFQIATXCVRC-UHFFFAOYSA-N	2	0	300.403	-1.243	20	0		DAADRP
C[NH+](C)CCC(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1	ZINC001422104319	926791270	/nfs/dbraw/zinc/79/12/70/926791270.db2.gz	SQRYSQZSODQRQA-LBPRGKRZSA-N	2	0	312.414	-1.230	20	0		DAADRP
O=C(NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O)C12CCC[NH+]1CCC2	ZINC001422328883	926830399	/nfs/dbraw/zinc/83/03/99/926830399.db2.gz	NGTRBZGSOCHCIV-STQMWFEESA-N	2	0	324.425	-1.040	20	0		DAADRP
C[C@H]([NH2+]C[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O	ZINC001422333079	926834055	/nfs/dbraw/zinc/83/40/55/926834055.db2.gz	AFEZEMPBAUXMTI-RYUDHWBXSA-N	2	0	312.414	-1.197	20	0		DAADRP
CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)C1=O	ZINC001422345368	926840214	/nfs/dbraw/zinc/84/02/14/926840214.db2.gz	JIPMLBGWBJJIGJ-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)C1=O	ZINC001422345128	926842234	/nfs/dbraw/zinc/84/22/34/926842234.db2.gz	JIPMLBGWBJJIGJ-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1	ZINC001422354444	926847388	/nfs/dbraw/zinc/84/73/88/926847388.db2.gz	YNUSWMHDPWCINQ-LLVKDONJSA-N	2	0	318.337	-1.567	20	0		DAADRP
NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1	ZINC001422354471	926849068	/nfs/dbraw/zinc/84/90/68/926849068.db2.gz	YNUSWMHDPWCINQ-NSHDSACASA-N	2	0	318.337	-1.567	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001422366417	926851788	/nfs/dbraw/zinc/85/17/88/926851788.db2.gz	ZQLKDLWZXTUZTE-NWDGAFQWSA-N	2	0	300.403	-1.469	20	0		DAADRP
C[N@H+](CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O)CC(C)(C)C	ZINC001422362415	926852897	/nfs/dbraw/zinc/85/28/97/926852897.db2.gz	PEHQRMKCFPXRSZ-NWDGAFQWSA-N	2	0	314.430	-1.081	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O	ZINC001422379126	926854673	/nfs/dbraw/zinc/85/46/73/926854673.db2.gz	KHKNKYWJBSFOFA-NWDGAFQWSA-N	2	0	300.403	-1.327	20	0		DAADRP
C[C@@H]([NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)NC1CC1	ZINC001422403211	926865158	/nfs/dbraw/zinc/86/51/58/926865158.db2.gz	LGWUZLBXZCYPIZ-YPMHNXCESA-N	2	0	312.414	-1.184	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21	ZINC001422403315	926866230	/nfs/dbraw/zinc/86/62/30/926866230.db2.gz	LOEPUKKTPJBHGM-CHWSQXEVSA-N	2	0	322.413	-1.072	20	0		DAADRP
CN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C2CC[NH+](C)CC2)C1=O	ZINC001423260125	927002676	/nfs/dbraw/zinc/00/26/76/927002676.db2.gz	QTKNLLFMKNDGMB-OLZOCXBDSA-N	2	0	312.414	-1.374	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CC2)C1	ZINC001423301970	927022149	/nfs/dbraw/zinc/02/21/49/927022149.db2.gz	UOKRHVVXEOWACS-AAEUAGOBSA-N	2	0	312.414	-1.327	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]C[C@H]1CCc2ncnn21	ZINC001423311283	927024853	/nfs/dbraw/zinc/02/48/53/927024853.db2.gz	XLXYHLQREOAZDE-QWHCGFSZSA-N	2	0	322.413	-1.072	20	0		DAADRP
C[NH+]1CCC(OCC(=O)NC[C@@H](CO)[NH2+]CC(N)=O)CC1	ZINC001423312191	927030261	/nfs/dbraw/zinc/03/02/61/927030261.db2.gz	ZUJSATUYPBUWBU-JTQLQIEISA-N	2	0	302.375	-2.351	20	0		DAADRP
CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C)[NH+](C)C	ZINC001423447862	927056203	/nfs/dbraw/zinc/05/62/03/927056203.db2.gz	TYYVDIDWFGMXQL-NWDGAFQWSA-N	2	0	302.419	-1.176	20	0		DAADRP
COC[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001423468505	927067005	/nfs/dbraw/zinc/06/70/05/927067005.db2.gz	KBILIVKRZFAQAA-KBPBESRZSA-N	2	0	317.430	-1.256	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCNC1=O	ZINC001423492667	927075960	/nfs/dbraw/zinc/07/59/60/927075960.db2.gz	IGILOQFQGDQZFS-NEPJUHHUSA-N	2	0	300.403	-1.376	20	0		DAADRP
CN(C[C@H](O)C[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cn1ccnc1	ZINC001423547706	927091044	/nfs/dbraw/zinc/09/10/44/927091044.db2.gz	VKUUTAGTDDONJA-CHWSQXEVSA-N	2	0	323.397	-1.135	20	0		DAADRP
CN(C[C@@H](O)C[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)Cn1ccnc1	ZINC001423547717	927093505	/nfs/dbraw/zinc/09/35/05/927093505.db2.gz	VKUUTAGTDDONJA-STQMWFEESA-N	2	0	323.397	-1.135	20	0		DAADRP
C[C@H]([NH2+]CCN(CCO)C(=O)C12CCC[NH+]1CCC2)C(N)=O	ZINC001424040385	927186095	/nfs/dbraw/zinc/18/60/95/927186095.db2.gz	FGSMVGFZWMBVLJ-LBPRGKRZSA-N	2	0	312.414	-1.101	20	0		DAADRP
CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@H+](C)C2)C1=O	ZINC001424049045	927189505	/nfs/dbraw/zinc/18/95/05/927189505.db2.gz	JNDQYBARKHXFLC-CHWSQXEVSA-N	2	0	312.414	-1.421	20	0		DAADRP
CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]2CCC[N@@H+]2C)C1=O	ZINC001424064810	927190968	/nfs/dbraw/zinc/19/09/68/927190968.db2.gz	HJYDXXOABVQYGQ-OLZOCXBDSA-N	2	0	312.414	-1.278	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1	ZINC001424244821	927214665	/nfs/dbraw/zinc/21/46/65/927214665.db2.gz	VELAQTGKWMTCNS-OLZOCXBDSA-N	2	0	312.414	-1.109	20	0		DAADRP
C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001424493867	927238365	/nfs/dbraw/zinc/23/83/65/927238365.db2.gz	ZDVACKYGZUOJSQ-QWRGUYRKSA-N	2	0	310.402	-1.003	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)N2CCC(O)(C[NH2+]CC(N)=O)CC2)C1	ZINC001424544875	927241440	/nfs/dbraw/zinc/24/14/40/927241440.db2.gz	AQTAUDKGLHXDKT-LBPRGKRZSA-N	2	0	312.414	-1.243	20	0		DAADRP
CNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC001424543019	927243099	/nfs/dbraw/zinc/24/30/99/927243099.db2.gz	DFFWTNWZSSPCMU-LBPRGKRZSA-N	2	0	312.414	-1.230	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)N2CCC(O)(C[NH2+]CC(N)=O)CC2)C1	ZINC001424544869	927243455	/nfs/dbraw/zinc/24/34/55/927243455.db2.gz	AQTAUDKGLHXDKT-GFCCVEGCSA-N	2	0	312.414	-1.243	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001425388559	927343423	/nfs/dbraw/zinc/34/34/23/927343423.db2.gz	CWDJCDDYDUHNIO-VXGBXAGGSA-N	2	0	300.403	-1.517	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)C[NH+]1CCCC1	ZINC001425461572	927367040	/nfs/dbraw/zinc/36/70/40/927367040.db2.gz	PCCVYFQCFGOETF-CHWSQXEVSA-N	2	0	312.414	-1.230	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C)CC[N@@H+]1C	ZINC001425751608	927425178	/nfs/dbraw/zinc/42/51/78/927425178.db2.gz	GBPBGRSGAFXURI-IJLUTSLNSA-N	2	0	300.403	-1.519	20	0		DAADRP
O=C(NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O)C12CCC[NH+](CCC1)C2	ZINC001425764180	927433287	/nfs/dbraw/zinc/43/32/87/927433287.db2.gz	BIKATFUBJDUFGV-QWHCGFSZSA-N	2	0	324.425	-1.182	20	0		DAADRP
CNC(=O)C[NH2+][C@@H](CO)CNC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001425766527	927434515	/nfs/dbraw/zinc/43/45/15/927434515.db2.gz	QQVLHLAILAVTQK-VXGBXAGGSA-N	2	0	300.403	-1.327	20	0		DAADRP
CNC(=O)C[NH2+][C@H](CO)CNC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001425766524	927435302	/nfs/dbraw/zinc/43/53/02/927435302.db2.gz	QQVLHLAILAVTQK-RYUDHWBXSA-N	2	0	300.403	-1.327	20	0		DAADRP
CN(C[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+]1C	ZINC001425775841	927440402	/nfs/dbraw/zinc/44/04/02/927440402.db2.gz	NKIAPSXNHRZJDU-OLZOCXBDSA-N	2	0	314.430	-1.032	20	0		DAADRP
CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001425826875	927466263	/nfs/dbraw/zinc/46/62/63/927466263.db2.gz	CRQCWTLOQHCVNK-NEPJUHHUSA-N	2	0	300.403	-1.469	20	0		DAADRP
O=C(CCC[NH+]1CCCC1)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O	ZINC001425840337	927470745	/nfs/dbraw/zinc/47/07/45/927470745.db2.gz	LSGBTLSOKNCLJG-STQMWFEESA-N	2	0	312.414	-1.182	20	0		DAADRP
C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O	ZINC001426001349	927500014	/nfs/dbraw/zinc/50/00/14/927500014.db2.gz	PZBXRTOGRRYAGC-VXGBXAGGSA-N	2	0	312.414	-1.103	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)CCC[NH+](C)C	ZINC001426020772	927504699	/nfs/dbraw/zinc/50/46/99/927504699.db2.gz	DEJNUYUCZASOEK-OLZOCXBDSA-N	2	0	314.430	-1.032	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CC(=O)NC(N)=O)C(=O)CC[NH+](C)C	ZINC001426021730	927507878	/nfs/dbraw/zinc/50/78/78/927507878.db2.gz	FUBUXSGLXVBAJH-SECBINFHSA-N	2	0	303.363	-2.458	20	0		DAADRP
CCN1CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C)C1=O	ZINC001426025447	927509306	/nfs/dbraw/zinc/50/93/06/927509306.db2.gz	JKZYHFNLXUFCGT-OLZOCXBDSA-N	2	0	314.430	-1.032	20	0		DAADRP
CCN1CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C)C1=O	ZINC001426025452	927509436	/nfs/dbraw/zinc/50/94/36/927509436.db2.gz	JKZYHFNLXUFCGT-STQMWFEESA-N	2	0	314.430	-1.032	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)C[NH+]1CCCC1	ZINC001426053038	927518889	/nfs/dbraw/zinc/51/88/89/927518889.db2.gz	MSUOTEOHOGCNMZ-OLZOCXBDSA-N	2	0	312.414	-1.278	20	0		DAADRP
CN(C[C@@H](O)C[N@H+](C)[C@@H]1CCNC1=O)C(=O)CCC[NH+](C)C	ZINC001426087609	927527224	/nfs/dbraw/zinc/52/72/24/927527224.db2.gz	UZXMLGOBANQHTK-QWHCGFSZSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O	ZINC001426672006	927569718	/nfs/dbraw/zinc/56/97/18/927569718.db2.gz	WHYGDLJXHGIXTK-OLZOCXBDSA-N	2	0	324.425	-1.278	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)C[NH+]2CCCC2)C1	ZINC001427835186	927686135	/nfs/dbraw/zinc/68/61/35/927686135.db2.gz	YOGFRPGSMDMIBV-OLZOCXBDSA-N	2	0	312.414	-1.373	20	0		DAADRP
CN(C[C@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)CC[NH+](C)C	ZINC001428253515	927766019	/nfs/dbraw/zinc/76/60/19/927766019.db2.gz	COQCDQJCFKOXBU-CYBMUJFWSA-N	2	0	314.430	-1.031	20	0		DAADRP
CN(C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CC[NH+](C)C	ZINC001428261146	927768744	/nfs/dbraw/zinc/76/87/44/927768744.db2.gz	PXBVTLSTPXVVKF-OLZOCXBDSA-N	2	0	314.430	-1.032	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O	ZINC001428800070	927811190	/nfs/dbraw/zinc/81/11/90/927811190.db2.gz	OGSSVBUWRCJYCZ-CHWSQXEVSA-N	2	0	314.430	-1.032	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[NH+](C)C1	ZINC001431536986	928053979	/nfs/dbraw/zinc/05/39/79/928053979.db2.gz	DHLKVKVFVVUCFR-CHWSQXEVSA-N	2	0	314.430	-1.128	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)C[NH+]1CCCC1	ZINC001433258978	928199170	/nfs/dbraw/zinc/19/91/70/928199170.db2.gz	FJWVETPYORDEDV-STQMWFEESA-N	2	0	312.414	-1.230	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)N2CC([NH2+][C@H]3CCOC3)C2)CC1=O	ZINC001434384451	928344456	/nfs/dbraw/zinc/34/44/56/928344456.db2.gz	COBANMUCSRNKBZ-OLZOCXBDSA-N	2	0	324.425	-1.014	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C	ZINC001437259135	928439963	/nfs/dbraw/zinc/43/99/63/928439963.db2.gz	FBGWULHVQVWQCH-SNVBAGLBSA-N	2	0	301.391	-1.124	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1	ZINC001437745772	928475487	/nfs/dbraw/zinc/47/54/87/928475487.db2.gz	UXSSEPAIIFQAPC-CHWSQXEVSA-N	2	0	312.414	-1.122	20	0		DAADRP
CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1)[NH+](C)C	ZINC001437722326	928476377	/nfs/dbraw/zinc/47/63/77/928476377.db2.gz	BBDRTYXTCRCHNO-QWRGUYRKSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H](C)C(=O)NC(N)=O	ZINC001438526015	928520888	/nfs/dbraw/zinc/52/08/88/928520888.db2.gz	YNGHUVIGRUJGFY-UWVGGRQHSA-N	2	0	301.391	-1.137	20	0		DAADRP
C[C@H](CNC(=O)COC1CC[NH+](C)CC1)C[NH2+]CC(N)=O	ZINC001438533255	928521439	/nfs/dbraw/zinc/52/14/39/928521439.db2.gz	GWNBKCBDIDOIBN-NSHDSACASA-N	2	0	300.403	-1.076	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1	ZINC001438717701	928534938	/nfs/dbraw/zinc/53/49/38/928534938.db2.gz	DDZNWBWRCYJESR-LLVKDONJSA-N	2	0	313.402	-1.026	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001438982246	928556754	/nfs/dbraw/zinc/55/67/54/928556754.db2.gz	KLUBKPBVOCTGDS-RYUDHWBXSA-N	2	0	300.403	-1.328	20	0		DAADRP
C[NH+](C)C1(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O)CCC1	ZINC001439009424	928572874	/nfs/dbraw/zinc/57/28/74/928572874.db2.gz	ZARBHNNATVQZIH-VIFPVBQESA-N	2	0	315.374	-2.268	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1	ZINC001439180421	928604210	/nfs/dbraw/zinc/60/42/10/928604210.db2.gz	YXYUEEICTHGFTN-NWDGAFQWSA-N	2	0	300.403	-1.205	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1	ZINC001439284264	928609674	/nfs/dbraw/zinc/60/96/74/928609674.db2.gz	YXYUEEICTHGFTN-NEPJUHHUSA-N	2	0	300.403	-1.205	20	0		DAADRP
CCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]CC(=O)NC)C1	ZINC001440368948	928717480	/nfs/dbraw/zinc/71/74/80/928717480.db2.gz	IOQLGZMUVYCPME-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C(=O)NC(N)=O	ZINC001441441967	928789738	/nfs/dbraw/zinc/78/97/38/928789738.db2.gz	SMFQVLQMXYKJMH-NAKRPEOUSA-N	2	0	311.386	-1.242	20	0		DAADRP
CN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)C2([NH+](C)C)CCC2)C1=O	ZINC001441709922	928831135	/nfs/dbraw/zinc/83/11/35/928831135.db2.gz	LSSSRORFVMJLPJ-NWDGAFQWSA-N	2	0	312.414	-1.232	20	0		DAADRP
CN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C2([NH+](C)C)CCC2)C1=O	ZINC001441709938	928832048	/nfs/dbraw/zinc/83/20/48/928832048.db2.gz	LSSSRORFVMJLPJ-VXGBXAGGSA-N	2	0	312.414	-1.232	20	0		DAADRP
CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001441743554	928848468	/nfs/dbraw/zinc/84/84/68/928848468.db2.gz	SLYCCURNUIJMHE-RWMBFGLXSA-N	2	0	314.430	-1.081	20	0		DAADRP
C[C@@H]([NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C	ZINC001441748918	928852537	/nfs/dbraw/zinc/85/25/37/928852537.db2.gz	RZSYAEZCFPOIAC-YPMHNXCESA-N	2	0	314.430	-1.128	20	0		DAADRP
CC(C)[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001441763561	928856267	/nfs/dbraw/zinc/85/62/67/928856267.db2.gz	OJUZYDQJSVLBTD-MWLCHTKSSA-N	2	0	317.390	-2.166	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCN2CCCC2=O)C1	ZINC001441795141	928866140	/nfs/dbraw/zinc/86/61/40/928866140.db2.gz	OBOGEWYVDFBLDN-OLZOCXBDSA-N	2	0	312.414	-1.373	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]CC(=O)N1CCCC1	ZINC001441789313	928867479	/nfs/dbraw/zinc/86/74/79/928867479.db2.gz	HYXUNAUDYSQTIC-ZDUSSCGKSA-N	2	0	312.414	-1.229	20	0		DAADRP
O=C(C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)N1CCC1	ZINC001441789633	928867623	/nfs/dbraw/zinc/86/76/23/928867623.db2.gz	OQJWOZLLNNUFNV-LBPRGKRZSA-N	2	0	310.398	-1.619	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001441800061	928869125	/nfs/dbraw/zinc/86/91/25/928869125.db2.gz	ROCGOEUJSGNOFQ-VHSXEESVSA-N	2	0	315.374	-2.540	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2	ZINC001441799439	928870072	/nfs/dbraw/zinc/87/00/72/928870072.db2.gz	YKJVSXXAIJWYLQ-VIFPVBQESA-N	2	0	313.358	-2.656	20	0		DAADRP
C[C@H]1C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)CC[N@@H+]1C	ZINC001442001102	928905535	/nfs/dbraw/zinc/90/55/35/928905535.db2.gz	WVMXJUYMTUEVCA-SRVKXCTJSA-N	2	0	300.403	-1.389	20	0		DAADRP
C[C@H]1C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)CC[N@@H+]1C	ZINC001442001098	928906300	/nfs/dbraw/zinc/90/63/00/928906300.db2.gz	WVMXJUYMTUEVCA-SDDRHHMPSA-N	2	0	300.403	-1.389	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001442025895	928908372	/nfs/dbraw/zinc/90/83/72/928908372.db2.gz	AZCTYZOVAULXQW-WCQYABFASA-N	2	0	312.414	-1.374	20	0		DAADRP
CCC[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O	ZINC001442026542	928910208	/nfs/dbraw/zinc/91/02/08/928910208.db2.gz	UYBPDQYODFTNQF-STQMWFEESA-N	2	0	314.430	-1.032	20	0		DAADRP
CCC[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O	ZINC001442026536	928911427	/nfs/dbraw/zinc/91/14/27/928911427.db2.gz	UYBPDQYODFTNQF-CHWSQXEVSA-N	2	0	314.430	-1.032	20	0		DAADRP
CC[N@H+](C)CCC(=O)N(C)C[C@H](O)C[NH+](C)[C@@H]1CCNC1=O	ZINC001442095401	928925872	/nfs/dbraw/zinc/92/58/72/928925872.db2.gz	OSGYZBOIFAUXQW-CHWSQXEVSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)NC(N)=O	ZINC001444391547	929120430	/nfs/dbraw/zinc/12/04/30/929120430.db2.gz	QYQVKIIJMKSKEV-MNOVXSKESA-N	2	0	313.402	-1.135	20	0		DAADRP
C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C1CC[NH+](C)CC1	ZINC001444661132	929141729	/nfs/dbraw/zinc/14/17/29/929141729.db2.gz	COEWWQNXXHIJDF-JTQLQIEISA-N	2	0	313.402	-1.040	20	0		DAADRP
C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001444727615	929150595	/nfs/dbraw/zinc/15/05/95/929150595.db2.gz	NPGHQYCGSDTFEW-GHMZBOCLSA-N	2	0	310.402	-1.003	20	0		DAADRP
Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001445179092	929175749	/nfs/dbraw/zinc/17/57/49/929175749.db2.gz	JMGVXOXUTQGOHX-KGLIPLIRSA-N	2	0	322.413	-1.276	20	0		DAADRP
Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C	ZINC001445216629	929188672	/nfs/dbraw/zinc/18/86/72/929188672.db2.gz	VEZBZUTYGHOJMP-CHWSQXEVSA-N	2	0	310.402	-1.134	20	0		DAADRP
CC(C)[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1)[NH+](C)C	ZINC001445222250	929191444	/nfs/dbraw/zinc/19/14/44/929191444.db2.gz	FXFVHRRBTSGGMI-TZMCWYRMSA-N	2	0	314.430	-1.128	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1	ZINC001445223226	929191468	/nfs/dbraw/zinc/19/14/68/929191468.db2.gz	HQUCKSKBMKLOMQ-ZDUSSCGKSA-N	2	0	314.430	-1.081	20	0		DAADRP
Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1	ZINC001445221182	929191828	/nfs/dbraw/zinc/19/18/28/929191828.db2.gz	BHJBDBJRMRTKCD-CYBMUJFWSA-N	2	0	310.402	-1.276	20	0		DAADRP
CCn1nncc1C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001445264804	929204529	/nfs/dbraw/zinc/20/45/29/929204529.db2.gz	TZNGOSUEJUUGHL-CYBMUJFWSA-N	2	0	322.413	-1.040	20	0		DAADRP
CN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1	ZINC001445270135	929205853	/nfs/dbraw/zinc/20/58/53/929205853.db2.gz	LUBAIWUXNNANCE-WCQYABFASA-N	2	0	312.414	-1.374	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1	ZINC001445264895	929207326	/nfs/dbraw/zinc/20/73/26/929207326.db2.gz	GHQVEZGHDLIYMK-VXGBXAGGSA-N	2	0	314.430	-1.081	20	0		DAADRP
CN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1	ZINC001445270134	929207816	/nfs/dbraw/zinc/20/78/16/929207816.db2.gz	LUBAIWUXNNANCE-DGCLKSJQSA-N	2	0	312.414	-1.374	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001445278018	929211110	/nfs/dbraw/zinc/21/11/10/929211110.db2.gz	WZQIIKYRVKHIKW-NEPJUHHUSA-N	2	0	300.403	-1.517	20	0		DAADRP
C[C@@H]([NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O	ZINC001445278964	929212143	/nfs/dbraw/zinc/21/21/43/929212143.db2.gz	XNLXTUGETSJUSO-ZJUUUORDSA-N	2	0	315.374	-2.268	20	0		DAADRP
C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O	ZINC001445278137	929213543	/nfs/dbraw/zinc/21/35/43/929213543.db2.gz	XNLXTUGETSJUSO-NXEZZACHSA-N	2	0	315.374	-2.268	20	0		DAADRP
CC[C@H](C(=O)NC[C@@]1(O)CC[N@H+](C[C@H](O)COC)C1)[NH+](C)C	ZINC001446766628	929316373	/nfs/dbraw/zinc/31/63/73/929316373.db2.gz	WYOLADNTPZJCPR-GUTXKFCHSA-N	2	0	317.430	-1.113	20	0		DAADRP
CC[C@H](C(=O)NC[C@]1(O)CC[N@H+](C[C@H](O)COC)C1)[NH+](C)C	ZINC001446766630	929317368	/nfs/dbraw/zinc/31/73/68/929317368.db2.gz	WYOLADNTPZJCPR-GZBFAFLISA-N	2	0	317.430	-1.113	20	0		DAADRP
CNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001448461737	929454496	/nfs/dbraw/zinc/45/44/96/929454496.db2.gz	ROOLADHEMIVYFM-NEPJUHHUSA-N	2	0	300.403	-1.110	20	0		DAADRP
C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)NC(N)=O	ZINC001448727320	929467197	/nfs/dbraw/zinc/46/71/97/929467197.db2.gz	OIYZAQYTDKFHBR-GHMZBOCLSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H](C)C(=O)NC(N)=O	ZINC001448726929	929467976	/nfs/dbraw/zinc/46/79/76/929467976.db2.gz	ZKAYVNJNFJLBOO-ZJUUUORDSA-N	2	0	301.391	-1.042	20	0		DAADRP
C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)C(C)(C)C[NH+]1CCOCC1	ZINC001448883225	929505942	/nfs/dbraw/zinc/50/59/42/929505942.db2.gz	QHAWBUZUXNGILF-OLZOCXBDSA-N	2	0	317.430	-1.208	20	0		DAADRP
C[NH+](C)CC1(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCCNC2=O)CC1	ZINC001448899550	929511225	/nfs/dbraw/zinc/51/12/25/929511225.db2.gz	RIKUICAQZZAUTN-VXGBXAGGSA-N	2	0	312.414	-1.327	20	0		DAADRP
CN1CC[C@H]([NH2+][C@H](CO)CNC(=O)C2(C[NH+](C)C)CC2)C1=O	ZINC001448895776	929511511	/nfs/dbraw/zinc/51/15/11/929511511.db2.gz	MHXBTVFYBOYBLA-RYUDHWBXSA-N	2	0	312.414	-1.374	20	0		DAADRP
C[NH+](C)CC1(C(=O)NC[C@H](CO)[NH2+][C@H]2CCCNC2=O)CC1	ZINC001448899525	929511987	/nfs/dbraw/zinc/51/19/87/929511987.db2.gz	RIKUICAQZZAUTN-NEPJUHHUSA-N	2	0	312.414	-1.327	20	0		DAADRP
NC(=O)C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](CC2CC2)CC1	ZINC001448943471	929522959	/nfs/dbraw/zinc/52/29/59/929522959.db2.gz	XXSXNFLQDCHMTK-CYBMUJFWSA-N	2	0	312.414	-1.340	20	0		DAADRP
O=C(NC[C@H](CO)[NH2+]CCn1cncn1)C12CC[NH+](CC1)C2	ZINC001448944022	929523124	/nfs/dbraw/zinc/52/31/24/929523124.db2.gz	HSPPJYZMJZWZCV-GFCCVEGCSA-N	2	0	308.386	-1.559	20	0		DAADRP
CN(C(=O)C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1)C1CC1	ZINC001448955285	929524973	/nfs/dbraw/zinc/52/49/73/929524973.db2.gz	PFCYXMBWRACYLT-GFCCVEGCSA-N	2	0	312.414	-1.230	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@@H](C)C(=O)NC(N)=O	ZINC001448953159	929526230	/nfs/dbraw/zinc/52/62/30/929526230.db2.gz	VFSDOTAGKHEXCW-VHSXEESVSA-N	2	0	317.390	-2.023	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001449141850	929551857	/nfs/dbraw/zinc/55/18/57/929551857.db2.gz	AEERDURIMZCUII-YPMHNXCESA-N	2	0	314.430	-1.128	20	0		DAADRP
C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C)C(=O)N(C)C	ZINC001449148421	929553827	/nfs/dbraw/zinc/55/38/27/929553827.db2.gz	TVZNXBUPEKXMJQ-RYUDHWBXSA-N	2	0	302.419	-1.176	20	0		DAADRP
CN(C[C@@H](O)C[N@H+](C)CCn1cncn1)C(=O)[C@@H]1CC[NH+](C)C1	ZINC001449250286	929576619	/nfs/dbraw/zinc/57/66/19/929576619.db2.gz	WMHVMPHJEVCRGL-KGLIPLIRSA-N	2	0	324.429	-1.019	20	0		DAADRP
CCC[N@H+](C)CC(=O)N1CC(NC(=O)[C@@H]2CN(C)CCO2)C1	ZINC001450315407	929620570	/nfs/dbraw/zinc/62/05/70/929620570.db2.gz	ZXHKPBRVLPRBIA-ZDUSSCGKSA-N	2	0	312.414	-1.014	20	0		DAADRP
C[NH2+]CCOCCNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2	ZINC001522182134	929667253	/nfs/dbraw/zinc/66/72/53/929667253.db2.gz	IXFFMEIDALFQHV-JQWIXIFHSA-N	2	0	305.400	-2.027	20	0		DAADRP
COCCOCC[N@H+](C)CCC(=O)N1CC[NH2+]C[C@@H]1CO	ZINC001522419572	929667290	/nfs/dbraw/zinc/66/72/90/929667290.db2.gz	YTQSADZXHRXYRO-CYBMUJFWSA-N	2	0	303.403	-1.236	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CC1=O	ZINC001548567765	930030750	/nfs/dbraw/zinc/03/07/50/930030750.db2.gz	ATEDISJOSMQLQN-VXGBXAGGSA-N	2	0	310.398	-1.356	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)N2NC(=O)C[C@@]23CC[NH2+]C3)CC1=O	ZINC001548578760	930031235	/nfs/dbraw/zinc/03/12/35/930031235.db2.gz	MDALBMITDYEIOC-XHDPSFHLSA-N	2	0	323.397	-1.608	20	0		DAADRP
O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H]2OCC[NH2+][C@H]2C1	ZINC001549045066	930046665	/nfs/dbraw/zinc/04/66/65/930046665.db2.gz	SQTDUKRCKWHBLX-AVGNSLFASA-N	2	0	310.398	-1.166	20	0		DAADRP
O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1	ZINC001549045069	930047322	/nfs/dbraw/zinc/04/73/22/930047322.db2.gz	SQTDUKRCKWHBLX-XQQFMLRXSA-N	2	0	310.398	-1.166	20	0		DAADRP
Cn1cc([C@@H]2CN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C[C@H]2[NH3+])cn1	ZINC001549049639	930049979	/nfs/dbraw/zinc/04/99/79/930049979.db2.gz	FEDBRPIKXOYBGF-XQQFMLRXSA-N	2	0	320.397	-1.459	20	0		DAADRP
Cn1cc([C@@H]2CN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)C[C@@H]2[NH3+])cn1	ZINC001549049638	930051579	/nfs/dbraw/zinc/05/15/79/930051579.db2.gz	FEDBRPIKXOYBGF-RWMBFGLXSA-N	2	0	320.397	-1.459	20	0		DAADRP
CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)NCC23CC(C2)C[NH2+]3)nn1	ZINC001549299813	930052115	/nfs/dbraw/zinc/05/21/15/930052115.db2.gz	KJIJVONRAYAYJR-MXYZKLHESA-N	2	0	320.397	-1.152	20	0		DAADRP
O=C(CN1CC[NH2+]CC1)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1	ZINC001549729822	930058084	/nfs/dbraw/zinc/05/80/84/930058084.db2.gz	CWOODBFPBISHHJ-CZUORRHYSA-N	2	0	323.441	-1.345	20	0		DAADRP
O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)[C@H]1C[NH2+]CCOC1	ZINC001549741786	930059032	/nfs/dbraw/zinc/05/90/32/930059032.db2.gz	UIKQPTZSXKXKDI-KCQAQPDRSA-N	2	0	324.425	-1.015	20	0		DAADRP
COC[C@]1(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[NH2+]CCO1	ZINC001550066600	930061384	/nfs/dbraw/zinc/06/13/84/930061384.db2.gz	HYVJHVBYFRWKQC-GUTXKFCHSA-N	2	0	323.397	-1.322	20	0		DAADRP
CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3OCC[C@H]3[NH3+])CC2)C1=O	ZINC001550092486	930061634	/nfs/dbraw/zinc/06/16/34/930061634.db2.gz	HCVLVCLLLUNCEV-AGIUHOORSA-N	2	0	310.398	-1.086	20	0		DAADRP
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C2(O)C[NH2+]C2)CC1	ZINC001550203671	930062433	/nfs/dbraw/zinc/06/24/33/930062433.db2.gz	QKNMURSGQXPYLL-UHFFFAOYSA-N	2	0	310.398	-1.347	20	0		DAADRP
COC[C@]1(C(=O)N2C[C@H]([NH3+])[C@@H](c3cn(C)cn3)C2)C[NH2+]CCO1	ZINC001550112864	930063346	/nfs/dbraw/zinc/06/33/46/930063346.db2.gz	LMXGSGFOPWSESQ-HUBLWGQQSA-N	2	0	323.397	-1.322	20	0		DAADRP
CNC(=O)[C@@]12C[N@H+](CCC(=O)N3CC[NH2+]CC3)C[C@@H]1COCC2	ZINC001551411996	930066823	/nfs/dbraw/zinc/06/68/23/930066823.db2.gz	UUZPEMRMRNMRLO-CJNGLKHVSA-N	2	0	324.425	-1.107	20	0		DAADRP
CNC(=O)[C@@]12C[N@H+](CC(=O)N3CC[NH2+]CC3)C[C@H]1COCC2	ZINC001551410450	930067451	/nfs/dbraw/zinc/06/74/51/930067451.db2.gz	QFDNNLBDFOADCZ-WFASDCNBSA-N	2	0	310.398	-1.497	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCC[C@@H]([NH3+])C2)nn1	ZINC001552162571	930070634	/nfs/dbraw/zinc/07/06/34/930070634.db2.gz	BMWCPJRCDYIUCM-NTZNESFSSA-N	2	0	308.386	-1.070	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC[NH2+]CC2)nn1	ZINC001552163238	930070806	/nfs/dbraw/zinc/07/08/06/930070806.db2.gz	WKJOLCCULNOXQZ-DGCLKSJQSA-N	2	0	308.386	-1.198	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N(C)C2CC([NH3+])C2)nn1	ZINC001552163687	930071198	/nfs/dbraw/zinc/07/11/98/930071198.db2.gz	IXQAEMILBYNHDE-FFJHZOIPSA-N	2	0	308.386	-1.072	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCC[C@H]([NH3+])C2)nn1	ZINC001552162563	930071630	/nfs/dbraw/zinc/07/16/30/930071630.db2.gz	BMWCPJRCDYIUCM-GMXVVIOVSA-N	2	0	308.386	-1.070	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1	ZINC001552258519	930072340	/nfs/dbraw/zinc/07/23/40/930072340.db2.gz	TZUDQILQWBIUFV-GFQSEFKGSA-N	2	0	320.397	-1.057	20	0		DAADRP
[NH3+][C@@H]1C[C@H]2CN(C(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)CCN2C1=O	ZINC001552376086	930073076	/nfs/dbraw/zinc/07/30/76/930073076.db2.gz	OPYCCNBUWWPDOF-JBLDHEPKSA-N	2	0	318.381	-1.129	20	0		DAADRP
Cc1c(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)nnn1[C@@H]1CC[NH2+]C1	ZINC001552442269	930073135	/nfs/dbraw/zinc/07/31/35/930073135.db2.gz	PDAFLFXAYLGJBK-GRYCIOLGSA-N	2	0	306.370	-1.066	20	0		DAADRP
Cc1c(C(=O)N2CCN(C)C[C@@H]2C[NH3+])nnn1[C@H]1CC[NH2+]C1	ZINC001552420695	930073158	/nfs/dbraw/zinc/07/31/58/930073158.db2.gz	ZBQPAJWNHGJRJR-RYUDHWBXSA-N	2	0	307.402	-1.164	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N[C@@]2(C)CC[NH2+]C2)nn1	ZINC001552257963	930073171	/nfs/dbraw/zinc/07/31/71/930073171.db2.gz	PQCUMMVGRDGUDE-QKCSRTOESA-N	2	0	308.386	-1.152	20	0		DAADRP
Cc1c(C(=O)NCCN2CC[NH2+]CC2)nnn1[C@@H]1CC[NH2+]C1	ZINC001552419235	930073204	/nfs/dbraw/zinc/07/32/04/930073204.db2.gz	RPZQPTDHMKYTEF-GFCCVEGCSA-N	2	0	307.402	-1.244	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N[C@]2(C)CC[NH2+]C2)nn1	ZINC001552257961	930073368	/nfs/dbraw/zinc/07/33/68/930073368.db2.gz	PQCUMMVGRDGUDE-MPKXVKKWSA-N	2	0	308.386	-1.152	20	0		DAADRP
O=C(CNC(=O)c1cnnn1C1CC[NH2+]CC1)N1CC[NH2+]CC1	ZINC001552419227	930073476	/nfs/dbraw/zinc/07/34/76/930073476.db2.gz	QJZQBNSCGPNTTB-UHFFFAOYSA-N	2	0	321.385	-1.636	20	0		DAADRP
C[N@@H+]1CC[C@@]2(C(=O)NCC(=O)N3CC[NH2+]CC3)C[NH2+]C[C@H]2C1	ZINC001553349157	930074007	/nfs/dbraw/zinc/07/40/07/930074007.db2.gz	CXCSUQDKTCXDQU-SWLSCSKDSA-N	3	0	309.414	-1.924	20	0		DAADRP
C[N@@H+]1CC[C@@]2(C(=O)NCC(=O)N3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1	ZINC001553349156	930075231	/nfs/dbraw/zinc/07/52/31/930075231.db2.gz	CXCSUQDKTCXDQU-IUODEOHRSA-N	3	0	309.414	-1.924	20	0		DAADRP
[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1	ZINC001553401080	930076474	/nfs/dbraw/zinc/07/64/74/930076474.db2.gz	FKXLPVQULLRUNS-VOAKCMCISA-N	2	0	310.398	-1.181	20	0		DAADRP
N[C@@H]1CN(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C[C@H]1[NH3+]	ZINC001553528097	930077318	/nfs/dbraw/zinc/07/73/18/930077318.db2.gz	MKXCMGBXLZAHOP-LXTVHRRPSA-N	3	0	322.457	-1.023	20	0		DAADRP
N[C@H]1CN(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C[C@@H]1[NH3+]	ZINC001553528115	930077509	/nfs/dbraw/zinc/07/75/09/930077509.db2.gz	MKXCMGBXLZAHOP-XGUBFFRZSA-N	3	0	322.457	-1.023	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC2CC1(C[NH3+])C2	ZINC000662929378	545648515	/nfs/dbraw/zinc/64/85/15/545648515.db2.gz	ACCVNONNTWXEGZ-UHFFFAOYSA-N	2	0	312.414	-1.027	20	0		DAADRP
C[NH2+]C[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000659755211	545763950	/nfs/dbraw/zinc/76/39/50/545763950.db2.gz	JHQQKPYZNXNDRY-LBPRGKRZSA-N	3	0	301.435	-1.338	20	0		DAADRP
C[N@H+](CCNC(=O)C(=O)N(CC[NH3+])CCO)C1CCCC1	ZINC000419692098	545767615	/nfs/dbraw/zinc/76/76/15/545767615.db2.gz	FUTVLHIFCKRHCA-UHFFFAOYSA-N	2	0	300.403	-1.243	20	0		DAADRP
COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C	ZINC000419668389	545767836	/nfs/dbraw/zinc/76/78/36/545767836.db2.gz	ACIHXUXFPAUAJN-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
CC1CC[NH+](CCNC(=O)C(=O)N(CC[NH3+])CCO)CC1	ZINC000419401062	545767807	/nfs/dbraw/zinc/76/78/07/545767807.db2.gz	AJGQRWHDTLYJOM-UHFFFAOYSA-N	2	0	300.403	-1.386	20	0		DAADRP
C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O	ZINC000642718572	372787845	/nfs/dbraw/zinc/78/78/45/372787845.db2.gz	ZWKRJOBCNVPWIS-RYDUCSDGSA-N	2	0	310.398	-1.624	20	0		DAADRP
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O	ZINC000642718573	372786211	/nfs/dbraw/zinc/78/62/11/372786211.db2.gz	ZWKRJOBCNVPWIS-XEZLXBQYSA-N	2	0	310.398	-1.624	20	0		DAADRP
COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)c1	ZINC000557297878	372810544	/nfs/dbraw/zinc/81/05/44/372810544.db2.gz	UOHOASSLMYXTEX-UHFFFAOYSA-N	2	0	319.365	-1.173	20	0		DAADRP
COCC[N@@H+]1CC[C@H](NS(=O)(=O)C[C@H]2CN(C)CCO2)C1	ZINC000632254867	372838047	/nfs/dbraw/zinc/83/80/47/372838047.db2.gz	BAONJNMLPPAICM-QWHCGFSZSA-N	2	0	321.443	-1.043	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+]	ZINC000561256498	372870096	/nfs/dbraw/zinc/87/00/96/372870096.db2.gz	ZUJUATBHGKOEEM-LBPRGKRZSA-N	2	0	315.418	-2.218	20	0		DAADRP
C[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C1CC1	ZINC000569624906	372872381	/nfs/dbraw/zinc/87/23/81/372872381.db2.gz	AEBNBQPLBGUXSC-NWDGAFQWSA-N	2	0	323.397	-2.033	20	0		DAADRP
[NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@@H]3C[NH2+]CCC3(F)F)CCN2C1=O	ZINC000565249783	372916460	/nfs/dbraw/zinc/91/64/60/372916460.db2.gz	IHKTZFYXUHBYKV-IVZWLZJFSA-N	2	0	317.340	-1.063	20	0		DAADRP
[NH3+][C@@H]1C[C@H]2CN(C(=O)CN3CCCC[C@@H]([NH3+])C3=O)CCN2C1=O	ZINC000594878118	372993051	/nfs/dbraw/zinc/99/30/51/372993051.db2.gz	NCSQZFQBUVHXEP-QJPTWQEYSA-N	2	0	323.397	-1.903	20	0		DAADRP
COC(=O)CCN1CC[C@H]([N@H+](C)CCN2CC[NH2+]CC2)C1=O	ZINC000595894960	373003299	/nfs/dbraw/zinc/00/32/99/373003299.db2.gz	ZHSHUDBMZGSPFY-ZDUSSCGKSA-N	2	0	312.414	-1.013	20	0		DAADRP
COC(=O)CCN1CC[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)C1=O	ZINC000595894959	373004373	/nfs/dbraw/zinc/00/43/73/373004373.db2.gz	ZHSHUDBMZGSPFY-CYBMUJFWSA-N	2	0	312.414	-1.013	20	0		DAADRP
COC(=O)CC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)CC(=O)N(C)C	ZINC000595969129	373006393	/nfs/dbraw/zinc/00/63/93/373006393.db2.gz	BIBGMNXEIYUSFC-LLVKDONJSA-N	2	0	316.402	-1.255	20	0		DAADRP
CN(CC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1	ZINC000595983532	373008521	/nfs/dbraw/zinc/00/85/21/373008521.db2.gz	DPOZOTAWDIJVER-MNOVXSKESA-N	2	0	311.386	-2.223	20	0		DAADRP
COC[C@]1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCCC[NH2+]1	ZINC000602528639	373062632	/nfs/dbraw/zinc/06/26/32/373062632.db2.gz	SEVFLMYRLAJAFU-ZOWXZIJZSA-N	2	0	310.398	-1.085	20	0		DAADRP
Cn1cnc2c1c(=O)n(CCC[N@H+](C)C[C@H](O)C[NH3+])c(=O)n2C	ZINC000563216340	373114569	/nfs/dbraw/zinc/11/45/69/373114569.db2.gz	YXTZEWNEDRENSW-SNVBAGLBSA-N	2	0	324.385	-1.925	20	0		DAADRP
C[C@@H](CC[NH3+])NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000563661569	373139195	/nfs/dbraw/zinc/13/91/95/373139195.db2.gz	ZYOAMUCSZIKPRM-LBPRGKRZSA-N	3	0	301.435	-1.208	20	0		DAADRP
COCCN1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)CC1=O	ZINC000563623071	373140033	/nfs/dbraw/zinc/14/00/33/373140033.db2.gz	NODWLINVVXDLHQ-UHFFFAOYSA-N	2	0	312.414	-1.011	20	0		DAADRP
CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1	ZINC000263260512	373144842	/nfs/dbraw/zinc/14/48/42/373144842.db2.gz	SIPMLFTVYXEXHV-DYEKYZERSA-N	2	0	314.430	-1.001	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)CC1=O	ZINC000571332109	373145292	/nfs/dbraw/zinc/14/52/92/373145292.db2.gz	WDVHLLFVRIQOIX-RDBSUJKOSA-N	2	0	324.425	-1.014	20	0		DAADRP
O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000638479897	373222664	/nfs/dbraw/zinc/22/26/64/373222664.db2.gz	HJDZWDHPSZVLED-VXGBXAGGSA-N	2	0	311.386	-2.121	20	0		DAADRP
O[C@@H]1C[NH+](Cc2ccc(C[N@@H+]3C[C@@H](O)[C@@H](O)C3)cc2)C[C@@H]1O	ZINC000278708289	373190553	/nfs/dbraw/zinc/19/05/53/373190553.db2.gz	KBDWGVGZJWIHMF-GEEKYZPCSA-N	2	0	308.378	-1.239	20	0		DAADRP
O[C@@H]1C[NH+](Cc2ccc(C[NH+]3C[C@H](O)[C@@H](O)C3)cc2)C[C@H]1O	ZINC000278708295	373190882	/nfs/dbraw/zinc/19/08/82/373190882.db2.gz	KBDWGVGZJWIHMF-RUPPMWDTSA-N	2	0	308.378	-1.239	20	0		DAADRP
[NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000638097111	373208246	/nfs/dbraw/zinc/20/82/46/373208246.db2.gz	AKBJJCMWKSHJER-OCCSQVGLSA-N	2	0	310.398	-1.131	20	0		DAADRP
C[NH2+]CCOCCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000638577644	373232794	/nfs/dbraw/zinc/23/27/94/373232794.db2.gz	BKFZUAJQUBIHBQ-GFCCVEGCSA-N	2	0	300.403	-1.251	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C	ZINC000419359281	373321249	/nfs/dbraw/zinc/32/12/49/373321249.db2.gz	QCGZUINDYYYGIS-VXGBXAGGSA-N	2	0	300.403	-1.110	20	0		DAADRP
C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(CC[NH3+])CCO	ZINC000419421487	373321291	/nfs/dbraw/zinc/32/12/91/373321291.db2.gz	LJMBPSUVVDYRFW-GFCCVEGCSA-N	2	0	300.403	-1.243	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]([NH3+])C1CC1	ZINC000572826629	373331417	/nfs/dbraw/zinc/33/14/17/373331417.db2.gz	WEZRHUOAFPIKJH-ZDUSSCGKSA-N	3	0	313.446	-1.208	20	0		DAADRP
Cn1nc2c(cc1=O)C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC2	ZINC000262221288	373333746	/nfs/dbraw/zinc/33/37/46/373333746.db2.gz	UPIZFKHVAADVAD-UHFFFAOYSA-N	2	0	305.382	-1.040	20	0		DAADRP
CN(CC[NH3+])C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1	ZINC000423218141	373344358	/nfs/dbraw/zinc/34/43/58/373344358.db2.gz	VBTKZJQFHJBEIQ-LBPRGKRZSA-N	2	0	300.403	-1.027	20	0		DAADRP
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000627456219	373352262	/nfs/dbraw/zinc/35/22/62/373352262.db2.gz	FBZKBQDIOOWPPE-QNWHQSFQSA-N	2	0	310.398	-1.480	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1	ZINC000629796724	373407306	/nfs/dbraw/zinc/40/73/06/373407306.db2.gz	SAMXNIDLXJKFNO-LBPRGKRZSA-N	2	0	300.403	-1.027	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21	ZINC000629805356	373408653	/nfs/dbraw/zinc/40/86/53/373408653.db2.gz	YNACDKXILMMJCY-QWHCGFSZSA-N	2	0	312.414	-1.027	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21	ZINC000629805354	373409169	/nfs/dbraw/zinc/40/91/69/373409169.db2.gz	YNACDKXILMMJCY-CHWSQXEVSA-N	2	0	312.414	-1.027	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000629805998	373409664	/nfs/dbraw/zinc/40/96/64/373409664.db2.gz	RAFPNBUCXFLJMQ-NWDGAFQWSA-N	2	0	314.386	-2.303	20	0		DAADRP
CN(C1CC[NH2+]CC1)S(=O)(=O)NCCCN1CC[NH2+]CC1	ZINC000631900222	373428183	/nfs/dbraw/zinc/42/81/83/373428183.db2.gz	KXISGBAHRGJBOW-UHFFFAOYSA-N	2	0	319.475	-1.200	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1=O	ZINC000629173947	373383549	/nfs/dbraw/zinc/38/35/49/373383549.db2.gz	LLISRGCUCCIGHN-CHWSQXEVSA-N	2	0	312.414	-1.421	20	0		DAADRP
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])C1	ZINC000642222691	373439934	/nfs/dbraw/zinc/43/99/34/373439934.db2.gz	VZJKANLVHYZVSS-NWDGAFQWSA-N	2	0	300.403	-1.077	20	0		DAADRP
C[NH+](C)C1(C(=O)NC[C@@H](CO)NC(=O)C2([NH+](C)C)CC2)CC1	ZINC000613473402	373455768	/nfs/dbraw/zinc/45/57/68/373455768.db2.gz	ZWKURTCYUSPRJF-NSHDSACASA-N	2	0	312.414	-1.232	20	0		DAADRP
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+]	ZINC000642114152	373437147	/nfs/dbraw/zinc/43/71/47/373437147.db2.gz	GQYBLMQTELEUSP-CHWSQXEVSA-N	2	0	313.446	-1.066	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)CC1=O	ZINC000152722935	373513657	/nfs/dbraw/zinc/51/36/57/373513657.db2.gz	GVOISBDZHXEOEK-SWLSCSKDSA-N	2	0	314.430	-1.175	20	0		DAADRP
C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1	ZINC000567645089	373536058	/nfs/dbraw/zinc/53/60/58/373536058.db2.gz	HIBFDGZRISDXEL-CYBMUJFWSA-N	3	0	313.446	-1.242	20	0		DAADRP
CC[NH+]1CCC(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1	ZINC000578884363	373586584	/nfs/dbraw/zinc/58/65/84/373586584.db2.gz	LMIKOTFGWYIIKS-KGLIPLIRSA-N	2	0	323.441	-1.169	20	0		DAADRP
CC[NH+]1CCC(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1	ZINC000578884365	373586865	/nfs/dbraw/zinc/58/68/65/373586865.db2.gz	LMIKOTFGWYIIKS-ZIAGYGMSSA-N	2	0	323.441	-1.169	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1	ZINC000578788032	373586919	/nfs/dbraw/zinc/58/69/19/373586919.db2.gz	ILNOSQQRKMXDHV-VXGBXAGGSA-N	2	0	313.402	-1.482	20	0		DAADRP
CC[N@H+](CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])C1CC1	ZINC000579092008	373587840	/nfs/dbraw/zinc/58/78/40/373587840.db2.gz	GWLQVBDOLLJDJO-ZDUSSCGKSA-N	2	0	311.430	-1.312	20	0		DAADRP
COCC1(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)CC[NH2+]CC1	ZINC000579348027	373589508	/nfs/dbraw/zinc/58/95/08/373589508.db2.gz	XOHMTZNIRLMKQH-UHFFFAOYSA-N	2	0	312.414	-1.107	20	0		DAADRP
CC(C)NC(=O)C(=O)N1CCN(CCN2CC[NH2+]CC2)CC1	ZINC000579475397	373591735	/nfs/dbraw/zinc/59/17/35/373591735.db2.gz	OTPLOVHYUXFIKK-UHFFFAOYSA-N	2	0	311.430	-1.440	20	0		DAADRP
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC1C[NH2+]C1	ZINC000567573562	373537386	/nfs/dbraw/zinc/53/73/86/373537386.db2.gz	QCXRTFSKHCASQX-LLVKDONJSA-N	2	0	310.398	-1.214	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2C[NH2+]CCCO2)CC1=O	ZINC000567982294	373539405	/nfs/dbraw/zinc/53/94/05/373539405.db2.gz	UKMVEHSCFGKVBR-QWHCGFSZSA-N	2	0	312.414	-1.109	20	0		DAADRP
O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000579731109	373594595	/nfs/dbraw/zinc/59/45/95/373594595.db2.gz	GREAEQPFGPTXEK-GOEBONIOSA-N	2	0	308.426	-1.051	20	0		DAADRP
O=C(COC1C[NH2+]C1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000572719551	373548786	/nfs/dbraw/zinc/54/87/86/373548786.db2.gz	ARAFJQLEDJNXGA-SNVBAGLBSA-N	2	0	310.320	-1.073	20	0		DAADRP
COCC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](CS(N)(=O)=O)C1	ZINC000573742581	373555396	/nfs/dbraw/zinc/55/53/96/373555396.db2.gz	ZBUPNYMVEHLLTF-CHWSQXEVSA-N	2	0	323.459	-1.074	20	0		DAADRP
O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@H]1C[N@@H+]2CCN1CCC2	ZINC000579731105	373595434	/nfs/dbraw/zinc/59/54/34/373595434.db2.gz	GREAEQPFGPTXEK-GDBMZVCRSA-N	2	0	308.426	-1.051	20	0		DAADRP
COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1	ZINC000574428369	373562161	/nfs/dbraw/zinc/56/21/61/373562161.db2.gz	HXUOFGDFFHGSIM-UHFFFAOYSA-N	2	0	319.365	-1.173	20	0		DAADRP
COCC[N@H+](C)C[C@@H](O)CN1CC[C@@H]2OCC(=O)N[C@H]2C1	ZINC000575999403	373568144	/nfs/dbraw/zinc/56/81/44/373568144.db2.gz	GKFDUYQCZQAOAG-AGIUHOORSA-N	2	0	301.387	-1.485	20	0		DAADRP
COCC[N@H+](C)C[C@@H](O)CN1CCC[C@H]1CS(N)(=O)=O	ZINC000575812433	373568295	/nfs/dbraw/zinc/56/82/95/373568295.db2.gz	LXMDBYCRSPTYIO-NWDGAFQWSA-N	2	0	309.432	-1.322	20	0		DAADRP
CCOC(=O)C[C@@H](CO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1	ZINC000576943264	373570103	/nfs/dbraw/zinc/57/01/03/373570103.db2.gz	DEQDFDGNKBJQQQ-QWHCGFSZSA-N	2	0	303.403	-1.502	20	0		DAADRP
COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1CCCN(CC(=O)OC)C1	ZINC000576753498	373570675	/nfs/dbraw/zinc/57/06/75/373570675.db2.gz	VUHXXIGHPHYGFI-QWRGUYRKSA-N	2	0	315.370	-1.122	20	0		DAADRP
C[C@@H]1COCCN1CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1	ZINC000580552847	373570809	/nfs/dbraw/zinc/57/08/09/373570809.db2.gz	CCRUKTMSNAOUFN-HUUCEWRRSA-N	2	0	300.447	-1.095	20	0		DAADRP
C[C@H]1COCCN1CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1	ZINC000580552848	373570967	/nfs/dbraw/zinc/57/09/67/373570967.db2.gz	CCRUKTMSNAOUFN-LSDHHAIUSA-N	2	0	300.447	-1.095	20	0		DAADRP
CCN1CCN(C(=O)CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1	ZINC000576758183	373571490	/nfs/dbraw/zinc/57/14/90/373571490.db2.gz	GSJZMQKEWTYSMM-AWEZNQCLSA-N	2	0	323.441	-1.343	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1	ZINC000577047952	373575017	/nfs/dbraw/zinc/57/50/17/373575017.db2.gz	ACYSOFVYANFYQG-AWEZNQCLSA-N	2	0	323.441	-1.297	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCn1ccnc1	ZINC000581897726	373604412	/nfs/dbraw/zinc/60/44/12/373604412.db2.gz	OUESYFZWVFGLMP-UHFFFAOYSA-N	2	0	324.429	-1.049	20	0		DAADRP
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1nc(N)[nH+]c(N)n1	ZINC000623927412	373662169	/nfs/dbraw/zinc/66/21/69/373662169.db2.gz	GWRLYBCOVQXSHU-VIFPVBQESA-N	2	0	308.390	-1.527	20	0		DAADRP
C[NH+]1CCC(CNc2nc(N)[nH+]c(N)n2)(N2CCOCC2)CC1	ZINC000624275308	373667752	/nfs/dbraw/zinc/66/77/52/373667752.db2.gz	SNWNEFZAUAPOQF-UHFFFAOYSA-N	2	0	322.417	-1.673	20	0		DAADRP
C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1	ZINC000627357849	373669729	/nfs/dbraw/zinc/66/97/29/373669729.db2.gz	SFLKSILMRYXMJG-STQMWFEESA-N	2	0	312.414	-1.061	20	0		DAADRP
CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1	ZINC000627407255	373674588	/nfs/dbraw/zinc/67/45/88/373674588.db2.gz	LVQOWJMGXDRBIN-UHFFFAOYSA-N	2	0	310.398	-1.212	20	0		DAADRP
CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC000627470474	373682458	/nfs/dbraw/zinc/68/24/58/373682458.db2.gz	STSVUYKEGFHSFI-OLZOCXBDSA-N	2	0	312.414	-1.109	20	0		DAADRP
CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC000627472301	373682584	/nfs/dbraw/zinc/68/25/84/373682584.db2.gz	MURHVHYCNYBZNS-GFCCVEGCSA-N	2	0	300.403	-1.110	20	0		DAADRP
C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[NH2+]1	ZINC000627476481	373684270	/nfs/dbraw/zinc/68/42/70/373684270.db2.gz	GBUAMHWEPBHBMK-QNWHQSFQSA-N	2	0	310.398	-1.480	20	0		DAADRP
CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC000627474335	373684844	/nfs/dbraw/zinc/68/48/44/373684844.db2.gz	LUOQMFNBRPPHJB-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[NH2+]1	ZINC000627476479	373684916	/nfs/dbraw/zinc/68/49/16/373684916.db2.gz	GBUAMHWEPBHBMK-FVCCEPFGSA-N	2	0	310.398	-1.480	20	0		DAADRP
CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1	ZINC000627505024	373688626	/nfs/dbraw/zinc/68/86/26/373688626.db2.gz	SHUXXTGMDUIDNB-GFCCVEGCSA-N	2	0	300.403	-1.061	20	0		DAADRP
O=S(=O)(C[C@H]1C[NH2+]CCO1)NCCCN1CC[NH2+]CC1	ZINC000631900062	373697599	/nfs/dbraw/zinc/69/75/99/373697599.db2.gz	GOMICHQBGHHGHI-GFCCVEGCSA-N	2	0	306.432	-1.811	20	0		DAADRP
COCC1(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[NH2+]CC1	ZINC000631937057	373702817	/nfs/dbraw/zinc/70/28/17/373702817.db2.gz	SGCLPHMLMMXEHK-GFCCVEGCSA-N	2	0	321.443	-1.090	20	0		DAADRP
O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC000631938180	373704015	/nfs/dbraw/zinc/70/40/15/373704015.db2.gz	WZMGKGLLZBJTBT-OLZOCXBDSA-N	2	0	318.443	-1.716	20	0		DAADRP
O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCN([C@H]2CC[NH2+]C2)CC1	ZINC000631938181	373704291	/nfs/dbraw/zinc/70/42/91/373704291.db2.gz	WZMGKGLLZBJTBT-QWHCGFSZSA-N	2	0	318.443	-1.716	20	0		DAADRP
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CNC(=O)C[NH3+])CC1	ZINC000645950431	545788285	/nfs/dbraw/zinc/78/82/85/545788285.db2.gz	QGLQXUVFIJOISY-CYBMUJFWSA-N	2	0	311.430	-1.310	20	0		DAADRP
C[C@@H]1CC[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)C[NH2+]1	ZINC000627394127	545828888	/nfs/dbraw/zinc/82/88/88/545828888.db2.gz	XWRUYKMAFFAZST-NEPJUHHUSA-N	2	0	300.403	-1.063	20	0		DAADRP
C[C@H]1CC[C@@H](NC(=O)C(=O)NCCOCC[NH+](C)C)C[NH2+]1	ZINC000627394128	545828982	/nfs/dbraw/zinc/82/89/82/545828982.db2.gz	XWRUYKMAFFAZST-NWDGAFQWSA-N	2	0	300.403	-1.063	20	0		DAADRP
COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C	ZINC000627385121	545829215	/nfs/dbraw/zinc/82/92/15/545829215.db2.gz	ZPIOUOZIDXCZOJ-NWDGAFQWSA-N	2	0	300.403	-1.063	20	0		DAADRP
C[NH+](C)CCOCC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCNC2=O)C1	ZINC001193488965	782006837	/nfs/dbraw/zinc/00/68/37/782006837.db2.gz	QRXHCUDEIJXWRX-QWHCGFSZSA-N	2	0	312.414	-1.014	20	0		DAADRP
C[NH+](C)CCOCC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCNC2=O)C1	ZINC001193488960	782007731	/nfs/dbraw/zinc/00/77/31/782007731.db2.gz	QRXHCUDEIJXWRX-CHWSQXEVSA-N	2	0	312.414	-1.014	20	0		DAADRP
CN(C)C(=O)CN1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1	ZINC000653119450	409328579	/nfs/dbraw/zinc/32/85/79/409328579.db2.gz	KDHCFZVHLSJZSY-LRDDRELGSA-N	2	0	324.425	-1.109	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCS(=O)(=O)N1	ZINC000651263711	409363909	/nfs/dbraw/zinc/36/39/09/409363909.db2.gz	BBNNYJAINUYJSE-NSHDSACASA-N	2	0	306.432	-1.370	20	0		DAADRP
CCO[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)C[C@H]1C[NH3+]	ZINC000652726595	409400685	/nfs/dbraw/zinc/40/06/85/409400685.db2.gz	CPBQBBZJMFJBCZ-VXGBXAGGSA-N	2	0	300.403	-1.171	20	0		DAADRP
C[NH+](C)CCn1cc(NC(=O)NCC(=O)N2CC[NH2+]CC2)cn1	ZINC000652612164	409386443	/nfs/dbraw/zinc/38/64/43/409386443.db2.gz	KFGQBWVEKPYRQA-UHFFFAOYSA-N	2	0	323.401	-1.002	20	0		DAADRP
CN(CCC[NH3+])C(=O)C[C@]1(C(=O)N(C)CCC[NH3+])CC[NH2+]C1	ZINC000647830577	409397998	/nfs/dbraw/zinc/39/79/98/409397998.db2.gz	SASHZLCRJYAWAB-OAHLLOKOSA-N	3	0	313.446	-1.029	20	0		DAADRP
CN1CCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)[C@@H](C[NH3+])C1	ZINC000518514741	409332993	/nfs/dbraw/zinc/33/29/93/409332993.db2.gz	PUOKOBRTFUXBNG-STQMWFEESA-N	2	0	311.430	-1.360	20	0		DAADRP
CS(=O)(=O)N[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1	ZINC000647877614	409402067	/nfs/dbraw/zinc/40/20/67/409402067.db2.gz	WZRFFVCPYAAZHR-GFCCVEGCSA-N	2	0	318.443	-1.178	20	0		DAADRP
CO[C@H]1C[C@@H](C(=O)N(C)C[C@H](O)CN2CCOCC2)[N@H+](C)C1	ZINC000330542260	409421715	/nfs/dbraw/zinc/42/17/15/409421715.db2.gz	AIHWERKGISAIBK-IHRRRGAJSA-N	2	0	315.414	-1.143	20	0		DAADRP
CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](C[NH3+])OC)CC1	ZINC000353473188	409473460	/nfs/dbraw/zinc/47/34/60/409473460.db2.gz	USLPJUSRTSGMHY-GFCCVEGCSA-N	2	0	300.403	-1.027	20	0		DAADRP
CN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)[C@H](C[NH3+])C1	ZINC000516027563	409558291	/nfs/dbraw/zinc/55/82/91/409558291.db2.gz	NWJRGSLLPSBWQA-GFCCVEGCSA-N	2	0	311.430	-1.312	20	0		DAADRP
C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C[N@@H+]1C1CC1	ZINC000516434819	409558913	/nfs/dbraw/zinc/55/89/13/409558913.db2.gz	PMAXWOCXCXDDAC-BZPMIXESSA-N	2	0	323.441	-1.171	20	0		DAADRP
O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1C[NH2+]CCO1	ZINC000374619222	409519379	/nfs/dbraw/zinc/51/93/79/409519379.db2.gz	NRPUDDXJVUCJAG-UWVGGRQHSA-N	2	0	310.320	-1.073	20	0		DAADRP
CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1	ZINC000659738182	409533585	/nfs/dbraw/zinc/53/35/85/409533585.db2.gz	BEQLPUSKJBSGLM-CHWSQXEVSA-N	2	0	311.430	-1.312	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1	ZINC000420024099	409536852	/nfs/dbraw/zinc/53/68/52/409536852.db2.gz	AFPAWKJPOSIMPR-LBPRGKRZSA-N	2	0	300.403	-1.124	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1	ZINC000419901197	409538574	/nfs/dbraw/zinc/53/85/74/409538574.db2.gz	STHQHZLPIYCTMJ-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
CN(CC[NH3+])C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1	ZINC000423218140	409544643	/nfs/dbraw/zinc/54/46/43/409544643.db2.gz	VBTKZJQFHJBEIQ-GFCCVEGCSA-N	2	0	300.403	-1.027	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1	ZINC000423262939	409546838	/nfs/dbraw/zinc/54/68/38/409546838.db2.gz	NWKXQDVGWWODGB-GFCCVEGCSA-N	2	0	316.402	-1.791	20	0		DAADRP
CCOCCNC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1	ZINC000430647996	409569482	/nfs/dbraw/zinc/56/94/82/409569482.db2.gz	YPEIJNRKMDPNHS-LBPRGKRZSA-N	2	0	300.403	-1.074	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH2+][C@@H](C)C1	ZINC000423266400	409547489	/nfs/dbraw/zinc/54/74/89/409547489.db2.gz	RWIUGRBWGXSKIO-LBPRGKRZSA-N	2	0	300.403	-1.157	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1	ZINC000423260878	409547669	/nfs/dbraw/zinc/54/76/69/409547669.db2.gz	IOJBXROJJVELRK-LBPRGKRZSA-N	2	0	300.403	-1.027	20	0		DAADRP
O=C(CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC[NH2+]CC1	ZINC000646637930	409625317	/nfs/dbraw/zinc/62/53/17/409625317.db2.gz	CDHXYQHQSJFEQB-SNVBAGLBSA-N	2	0	306.370	-1.352	20	0		DAADRP
COCC[NH2+]CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000430897747	409571250	/nfs/dbraw/zinc/57/12/50/409571250.db2.gz	QPTQPXPQXDLKOH-GFCCVEGCSA-N	2	0	300.403	-1.074	20	0		DAADRP
C[C@H]1COCCN1CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000659743293	409697860	/nfs/dbraw/zinc/69/78/60/409697860.db2.gz	MAQOHRRLYFWGIO-BZUNDVKYSA-N	2	0	310.398	-1.309	20	0		DAADRP
CC[N@H+](C)C[C@@H](O)CN1CCCN(C(=O)CNC(C)=O)CC1	ZINC000528739071	409642916	/nfs/dbraw/zinc/64/29/16/409642916.db2.gz	RHKWNVWDELPYRU-CQSZACIVSA-N	2	0	314.430	-1.031	20	0		DAADRP
[NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NC[C@H]2COCC[NH2+]2)C1	ZINC000529387728	409650391	/nfs/dbraw/zinc/65/03/91/409650391.db2.gz	LWLGOTHEHCRZGG-RYUDHWBXSA-N	2	0	313.402	-1.529	20	0		DAADRP
C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CCO1	ZINC000649274890	409653663	/nfs/dbraw/zinc/65/36/63/409653663.db2.gz	ZEPXENDVACGBQY-XQQFMLRXSA-N	2	0	312.414	-1.029	20	0		DAADRP
COC(=O)CN(C)C(=O)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1	ZINC000576292250	409658092	/nfs/dbraw/zinc/65/80/92/409658092.db2.gz	ISBUXYXCNUBKEA-MNOVXSKESA-N	2	0	312.370	-1.748	20	0		DAADRP
CN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@H](C[NH3+])C1	ZINC000576348628	409660121	/nfs/dbraw/zinc/66/01/21/409660121.db2.gz	DSFMAXKRQJPXBJ-CHWSQXEVSA-N	2	0	311.430	-1.502	20	0		DAADRP
O=C(NCCCN1CC[NH2+]CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000655960908	409675092	/nfs/dbraw/zinc/67/50/92/409675092.db2.gz	CVCVCIJVWQUCMZ-UONOGXRCSA-N	2	0	311.430	-1.258	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](O)C1	ZINC000659318559	409686091	/nfs/dbraw/zinc/68/60/91/409686091.db2.gz	GEAVSGOBFPOOHP-ZDUSSCGKSA-N	2	0	314.430	-1.079	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1	ZINC000659683248	409688128	/nfs/dbraw/zinc/68/81/28/409688128.db2.gz	WRFHUBCBRLVUKJ-QJPTWQEYSA-N	2	0	315.393	-1.754	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1	ZINC000659707859	409688921	/nfs/dbraw/zinc/68/89/21/409688921.db2.gz	IWLZFRAZKXQVDT-GHMZBOCLSA-N	2	0	304.366	-1.422	20	0		DAADRP
C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000659709748	409690446	/nfs/dbraw/zinc/69/04/46/409690446.db2.gz	LNSLBWDCNHTDHE-CHWSQXEVSA-N	2	0	313.446	-1.290	20	0		DAADRP
COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1	ZINC000659706874	409690624	/nfs/dbraw/zinc/69/06/24/409690624.db2.gz	QYMBWXRGDBTGFH-MQYJIDSJSA-N	2	0	310.398	-1.309	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCCC1	ZINC000659682217	409690950	/nfs/dbraw/zinc/69/09/50/409690950.db2.gz	HRHKBCXWSKFLCN-GFCCVEGCSA-N	2	0	311.430	-1.264	20	0		DAADRP
C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@H](C[NH3+])C1	ZINC000662981829	409721235	/nfs/dbraw/zinc/72/12/35/409721235.db2.gz	SFKAWZFSTBHDSC-ZOBORPQBSA-N	2	0	324.425	-1.150	20	0		DAADRP
[NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000662966972	409723082	/nfs/dbraw/zinc/72/30/82/409723082.db2.gz	WJIOLFPRQHKCEG-XWAURUHHSA-N	2	0	308.382	-1.787	20	0		DAADRP
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1	ZINC000664026592	409728375	/nfs/dbraw/zinc/72/83/75/409728375.db2.gz	WUKHQXWISXWQCI-IHRRRGAJSA-N	2	0	313.446	-1.061	20	0		DAADRP
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1	ZINC000664026595	409728717	/nfs/dbraw/zinc/72/87/17/409728717.db2.gz	WUKHQXWISXWQCI-RDBSUJKOSA-N	2	0	313.446	-1.061	20	0		DAADRP
CC[N@H+](C)CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000446776598	409776943	/nfs/dbraw/zinc/77/69/43/409776943.db2.gz	NOIKJZJJADBERT-UHFFFAOYSA-N	2	0	310.402	-0.549	20	0		DAADRP
C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C2(O)C[NH2+]C2)cc1	ZINC000662724990	409720054	/nfs/dbraw/zinc/72/00/54/409720054.db2.gz	VTVDVMOXRWALSU-UHFFFAOYSA-N	2	0	320.393	-1.072	20	0		DAADRP
C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+](C)C	ZINC000448491211	409797129	/nfs/dbraw/zinc/79/71/29/409797129.db2.gz	SWDFORANBHRHRG-NSHDSACASA-N	2	0	310.402	-0.551	20	0		DAADRP
COCCN1CCN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1	ZINC000423033036	263219267	/nfs/dbraw/zinc/21/92/67/263219267.db2.gz	GDQZMFVTQHFXOU-OLZOCXBDSA-N	2	0	312.414	-1.027	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCN2C(=O)CNC2=O)CC1	ZINC000370685720	263224927	/nfs/dbraw/zinc/22/49/27/263224927.db2.gz	HPZKGKJCQDTARX-LBPRGKRZSA-N	2	0	323.397	-1.223	20	0		DAADRP
CC(C)(O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1	ZINC000419895007	263228708	/nfs/dbraw/zinc/22/87/08/263228708.db2.gz	OFUIAOUNTNSMMQ-LBPRGKRZSA-N	2	0	312.414	-1.230	20	0		DAADRP
CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1	ZINC000430631663	263231587	/nfs/dbraw/zinc/23/15/87/263231587.db2.gz	VKCVSHDFTNPHQG-LLVKDONJSA-N	2	0	306.432	-1.287	20	0		DAADRP
[NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)C1	ZINC000262021564	263231808	/nfs/dbraw/zinc/23/18/08/263231808.db2.gz	XRADZLLNXBZUKW-SNVBAGLBSA-N	2	0	311.386	-1.239	20	0		DAADRP
C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C	ZINC000419432610	263233161	/nfs/dbraw/zinc/23/31/61/263233161.db2.gz	YGYAGAHQXJYHGR-YNEHKIRRSA-N	2	0	312.414	-1.063	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1=O	ZINC000358070120	263238742	/nfs/dbraw/zinc/23/87/42/263238742.db2.gz	UKXNOCBRWLKXKS-IUODEOHRSA-N	2	0	312.414	-1.421	20	0		DAADRP
CC(C)NC(=O)CN(C)CC(=O)NC[C@@]1(O)CC[N@H+](C)C1	ZINC000356056987	263245878	/nfs/dbraw/zinc/24/58/78/263245878.db2.gz	IWXDCHILTZWAOI-AWEZNQCLSA-N	2	0	300.403	-1.374	20	0		DAADRP
COCCN1CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1	ZINC000262011228	263248602	/nfs/dbraw/zinc/24/86/02/263248602.db2.gz	FJXPYESGFSUCIE-ZDUSSCGKSA-N	2	0	300.403	-1.124	20	0		DAADRP
O=C(N1CC[NH2+]CC1)N1CCN(CCN2CCOCC2)CC1	ZINC000530222750	263250601	/nfs/dbraw/zinc/25/06/01/263250601.db2.gz	KVOLCBUTTSTXOF-UHFFFAOYSA-N	2	0	311.430	-1.039	20	0		DAADRP
CN(C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1C[NH2+]C[C@@H]1O	ZINC000331438497	263253493	/nfs/dbraw/zinc/25/34/93/263253493.db2.gz	BCEHPKQCBVNUPJ-VOAKCMCISA-N	2	0	310.398	-1.480	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[NH+]2CCC[C@@H]2C1	ZINC000332087863	263257219	/nfs/dbraw/zinc/25/72/19/263257219.db2.gz	JDCYAWGFARQCNX-ZIAGYGMSSA-N	2	0	323.441	-1.345	20	0		DAADRP
O=C([C@H]1CCCC[NH2+]1)N1CC(S(=O)(=O)N2CCNCC2)C1	ZINC000424030462	263264084	/nfs/dbraw/zinc/26/40/84/263264084.db2.gz	QVTDSMOPXVQLDM-GFCCVEGCSA-N	2	0	316.427	-1.426	20	0		DAADRP
CN(C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)[C@H]1C[NH2+]C[C@@H]1O	ZINC000332090788	263290780	/nfs/dbraw/zinc/29/07/80/263290780.db2.gz	BDZJBZWDDGMGRC-RFGFWPKPSA-N	2	0	324.425	-1.280	20	0		DAADRP
CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CCN1C	ZINC000423381694	263291710	/nfs/dbraw/zinc/29/17/10/263291710.db2.gz	NWUOVNHHYHKGLB-OLZOCXBDSA-N	2	0	312.414	-1.029	20	0		DAADRP
CN1CCO[C@@H](CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1	ZINC000332094376	263295830	/nfs/dbraw/zinc/29/58/30/263295830.db2.gz	OQFPJKLADCHYDZ-OLZOCXBDSA-N	2	0	310.398	-1.260	20	0		DAADRP
CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000419873933	263296398	/nfs/dbraw/zinc/29/63/98/263296398.db2.gz	SFKUEUXGSOFKFN-ZDUSSCGKSA-N	2	0	311.430	-1.392	20	0		DAADRP
CN(C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1C[NH2+]C[C@@H]1O	ZINC000419135599	263299100	/nfs/dbraw/zinc/29/91/00/263299100.db2.gz	LRJDNBMZFBVSRE-VOAKCMCISA-N	2	0	312.414	-1.234	20	0		DAADRP
COCC[N@H+](C)CCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1	ZINC000351558699	263302475	/nfs/dbraw/zinc/30/24/75/263302475.db2.gz	NEIYOXVIRLCUBF-GFCCVEGCSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[NH2+]CCNC(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1	ZINC000419896469	263306681	/nfs/dbraw/zinc/30/66/81/263306681.db2.gz	NKMUICYEGAEKTK-LLVKDONJSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H](N)CC(N)=O)CC1	ZINC000353574763	263309014	/nfs/dbraw/zinc/30/90/14/263309014.db2.gz	DAEBBZAMWBYTGS-QWHCGFSZSA-N	2	0	311.430	-1.182	20	0		DAADRP
CC[NH2+][C@H](C)CNC(=O)C(=O)NCCN1CCOC[C@H]1C	ZINC000420154487	263313452	/nfs/dbraw/zinc/31/34/52/263313452.db2.gz	IWMGVSHKLSPJKC-VXGBXAGGSA-N	2	0	300.403	-1.063	20	0		DAADRP
CC(C)Nc1nc(NCC[N@H+](C)C2CC2)nc(NCCO)[nH+]1	ZINC000341837553	263315159	/nfs/dbraw/zinc/31/51/59/263315159.db2.gz	BSGOGPLLPAJCJV-UHFFFAOYSA-N	2	0	309.418	-1.132	20	0		DAADRP
COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1	ZINC000419678100	263317354	/nfs/dbraw/zinc/31/73/54/263317354.db2.gz	NQTAFOVNIYMCLT-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
CN(C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)[C@H]1C[NH2+]C[C@@H]1O	ZINC000332090790	263320383	/nfs/dbraw/zinc/32/03/83/263320383.db2.gz	BDZJBZWDDGMGRC-XUXIUFHCSA-N	2	0	324.425	-1.280	20	0		DAADRP
Cn1cnc2c1c(=O)n(CCCN(CC[NH3+])CCO)c(=O)n2C	ZINC000342409843	263325792	/nfs/dbraw/zinc/32/57/92/263325792.db2.gz	CNJMKKWHKUUAFM-UHFFFAOYSA-N	2	0	324.385	-1.923	20	0		DAADRP
Cn1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(=O)n(C)c1=O	ZINC000352527244	263326728	/nfs/dbraw/zinc/32/67/28/263326728.db2.gz	YERXBECBPSKVSN-CYBMUJFWSA-N	2	0	307.398	-1.437	20	0		DAADRP
COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1	ZINC001195981290	782088107	/nfs/dbraw/zinc/08/81/07/782088107.db2.gz	SXODHOSFOBTYGD-AAVRWANBSA-N	2	0	317.430	-1.259	20	0		DAADRP
C[C@H]([NH3+])[C@@H]1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1	ZINC000582062814	333195920	/nfs/dbraw/zinc/19/59/20/333195920.db2.gz	BFUIUOASYHHGOJ-DTWKUNHWSA-N	2	0	309.370	-1.482	20	0		DAADRP
C[C@@H]([NH3+])[C@@H]1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1	ZINC000582062816	333195947	/nfs/dbraw/zinc/19/59/47/333195947.db2.gz	BFUIUOASYHHGOJ-RKDXNWHRSA-N	2	0	309.370	-1.482	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCn1cccn1	ZINC000582137461	333594589	/nfs/dbraw/zinc/59/45/89/333594589.db2.gz	QQRWBEWCYSRBRS-UHFFFAOYSA-N	2	0	324.429	-1.049	20	0		DAADRP
C[C@H](O)C[N@@H+]1CCN(C(=O)NCCN2CC[NH2+]CC2)[C@@H](C)C1	ZINC000333819401	336210498	/nfs/dbraw/zinc/21/04/98/336210498.db2.gz	KQTHMBVYVXQDJM-KBPBESRZSA-N	2	0	313.446	-1.012	20	0		DAADRP
C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCN2CC[NH2+]CC2)[C@@H](C)C1	ZINC000333819412	336210509	/nfs/dbraw/zinc/21/05/09/336210509.db2.gz	KQTHMBVYVXQDJM-UONOGXRCSA-N	2	0	313.446	-1.012	20	0		DAADRP
CN(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)S(C)(=O)=O	ZINC000103212412	336238761	/nfs/dbraw/zinc/23/87/61/336238761.db2.gz	VVIJPFOAMLAXMY-UHFFFAOYSA-N	2	0	308.448	-1.170	20	0		DAADRP
CN(CCCO)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000564710754	341507559	/nfs/dbraw/zinc/50/75/59/341507559.db2.gz	HWHICXYLQPUIDN-UHFFFAOYSA-N	2	0	302.419	-1.221	20	0		DAADRP
O=C(COC1C[NH2+]C1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000572719550	341701782	/nfs/dbraw/zinc/70/17/82/341701782.db2.gz	ARAFJQLEDJNXGA-JTQLQIEISA-N	2	0	310.320	-1.073	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1	ZINC000576099520	341826424	/nfs/dbraw/zinc/82/64/24/341826424.db2.gz	YYOAWYHANKCIKB-CYBMUJFWSA-N	3	0	313.446	-1.112	20	0		DAADRP
CC[NH+](CC)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC)C[C@H]1O	ZINC001197057528	782121457	/nfs/dbraw/zinc/12/14/57/782121457.db2.gz	CPQSEQNPTOIHEJ-QJPTWQEYSA-N	2	0	300.403	-1.376	20	0		DAADRP
C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O	ZINC001197826235	782142313	/nfs/dbraw/zinc/14/23/13/782142313.db2.gz	RSOYTSSZBMXAFS-MGPQQGTHSA-N	2	0	315.414	-1.238	20	0		DAADRP
CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@H]1O	ZINC001198004148	782143899	/nfs/dbraw/zinc/14/38/99/782143899.db2.gz	WPFSGZLLVFLANV-BFHYXJOUSA-N	2	0	317.430	-1.113	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C	ZINC001152445199	782153977	/nfs/dbraw/zinc/15/39/77/782153977.db2.gz	DDMREHODHOFMBJ-JTQLQIEISA-N	2	0	301.391	-1.124	20	0		DAADRP
CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+]	ZINC000517731289	545647060	/nfs/dbraw/zinc/64/70/60/545647060.db2.gz	VDMCHXBXNWYFSU-ZDUSSCGKSA-N	2	0	311.430	-1.360	20	0		DAADRP
O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCCN1CC[NH2+]CC1	ZINC000517563074	545647337	/nfs/dbraw/zinc/64/73/37/545647337.db2.gz	GEZPGFVRHDJVGR-ZDUSSCGKSA-N	2	0	311.430	-1.344	20	0		DAADRP
CC[N@H+](CCO)CCNC(=O)NC[C@H]1C[NH+](C)CCN1C	ZINC000347174795	545715334	/nfs/dbraw/zinc/71/53/34/545715334.db2.gz	WPQQSTIVGIGNPR-ZDUSSCGKSA-N	2	0	301.435	-1.154	20	0		DAADRP
CC[NH+]1CCN(CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1	ZINC000351517841	545720967	/nfs/dbraw/zinc/72/09/67/545720967.db2.gz	BGDMPPNYBAKAPO-ZDUSSCGKSA-N	2	0	311.430	-1.392	20	0		DAADRP
C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000331577057	545726826	/nfs/dbraw/zinc/72/68/26/545726826.db2.gz	WHRIIWKOMQPMNU-KGLIPLIRSA-N	2	0	323.441	-1.297	20	0		DAADRP
CC1=CC[N@H+](CCNC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC1	ZINC000419222998	545765422	/nfs/dbraw/zinc/76/54/22/545765422.db2.gz	LRQYDVHMTIFZLG-STQMWFEESA-N	2	0	310.398	-1.454	20	0		DAADRP
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[C@H]1COCC[NH2+]1	ZINC000659358271	545791622	/nfs/dbraw/zinc/79/16/22/545791622.db2.gz	HSQJPYTUZNCLHU-LBPRGKRZSA-N	2	0	300.403	-1.157	20	0		DAADRP
O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000649321290	545802069	/nfs/dbraw/zinc/80/20/69/545802069.db2.gz	SHJDLZWTVKLPKX-MGPQQGTHSA-N	2	0	324.425	-1.088	20	0		DAADRP
O=C(NCCC[NH2+]C1CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656020907	545811324	/nfs/dbraw/zinc/81/13/24/545811324.db2.gz	WIEAAPJGLBMRQK-QWHCGFSZSA-N	2	0	310.398	-1.478	20	0		DAADRP
O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656020611	545811459	/nfs/dbraw/zinc/81/14/59/545811459.db2.gz	SRHJAZGPELGLEG-FRRDWIJNSA-N	2	0	310.398	-1.478	20	0		DAADRP
CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656023043	545812115	/nfs/dbraw/zinc/81/21/15/545812115.db2.gz	SHDDHTTYNHOLEQ-RWMBFGLXSA-N	2	0	312.414	-1.247	20	0		DAADRP
C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656101976	545815845	/nfs/dbraw/zinc/81/58/45/545815845.db2.gz	AGAOUAMHVIAODQ-FRRDWIJNSA-N	2	0	310.398	-1.526	20	0		DAADRP
C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656105158	545816096	/nfs/dbraw/zinc/81/60/96/545816096.db2.gz	YNYMBHJXCVIYRR-IGQOVBAYSA-N	2	0	324.425	-1.008	20	0		DAADRP
C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@H]1C[NH3+]	ZINC000656104580	545816997	/nfs/dbraw/zinc/81/69/97/545816997.db2.gz	RCIKFIVOHQVXRY-RQJABVFESA-N	2	0	324.425	-1.150	20	0		DAADRP
C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC000656103641	545817149	/nfs/dbraw/zinc/81/71/49/545817149.db2.gz	BFRXBOYXNHMJKT-FRRDWIJNSA-N	2	0	310.398	-1.526	20	0		DAADRP
C[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@@H]1C[NH3+]	ZINC000656104579	545817503	/nfs/dbraw/zinc/81/75/03/545817503.db2.gz	RCIKFIVOHQVXRY-IGQOVBAYSA-N	2	0	324.425	-1.150	20	0		DAADRP
CCN(C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@H]1CC[N@H+](C)C1	ZINC000658805794	545835943	/nfs/dbraw/zinc/83/59/43/545835943.db2.gz	ZDEDSEBDSGVYNA-MELADBBJSA-N	2	0	324.425	-1.184	20	0		DAADRP
CN1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1	ZINC000658902685	545836067	/nfs/dbraw/zinc/83/60/67/545836067.db2.gz	CUYTVDZOQZSXLO-AWEZNQCLSA-N	2	0	324.425	-1.182	20	0		DAADRP
[NH3+]CCCn1cc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)nn1	ZINC000662909067	545840824	/nfs/dbraw/zinc/84/08/24/545840824.db2.gz	YCGKDLRASBJKQF-GFCCVEGCSA-N	2	0	307.402	-1.253	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1	ZINC000673352060	545865150	/nfs/dbraw/zinc/86/51/50/545865150.db2.gz	QYOZTVGLYBMPQY-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1	ZINC000911258027	663141238	/nfs/dbraw/zinc/14/12/38/663141238.db2.gz	LSCUGCPODXCUIY-LBPRGKRZSA-N	2	0	300.403	-1.122	20	0		DAADRP
O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1	ZINC001021045881	662349068	/nfs/dbraw/zinc/34/90/68/662349068.db2.gz	JMVOEUUXTKULDP-HAQNSBGRSA-N	2	0	323.397	-1.129	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1	ZINC001021045265	662349091	/nfs/dbraw/zinc/34/90/91/662349091.db2.gz	YXLOKVOQCATIQU-SRVKXCTJSA-N	2	0	323.397	-1.273	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1	ZINC001021049127	662349297	/nfs/dbraw/zinc/34/92/97/662349297.db2.gz	IKFRPBYQIFAGBT-BJDJZHNGSA-N	2	0	308.382	-1.020	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1	ZINC001021045264	662349376	/nfs/dbraw/zinc/34/93/76/662349376.db2.gz	YXLOKVOQCATIQU-IJLUTSLNSA-N	2	0	323.397	-1.273	20	0		DAADRP
O=C(CC[N@H+](CCO)CCN1CCOCC1)N1CC[NH2+]CC1	ZINC000262068826	662400365	/nfs/dbraw/zinc/40/03/65/662400365.db2.gz	JSUPYDWSHVQUOT-UHFFFAOYSA-N	2	0	314.430	-1.565	20	0		DAADRP
C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCNCC[NH2+]CC3)CC[C@@H]21	ZINC000926398479	662403507	/nfs/dbraw/zinc/40/35/07/662403507.db2.gz	VSCRNOLMLDJZIV-KBPBESRZSA-N	2	0	323.441	-1.440	20	0		DAADRP
C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCNCC[NH2+]CC3)C2)C1	ZINC000926411128	662405517	/nfs/dbraw/zinc/40/55/17/662405517.db2.gz	UKIYWQOOZMEVHI-INIZCTEOSA-N	2	0	323.441	-1.438	20	0		DAADRP
Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1=O	ZINC001023084311	662428829	/nfs/dbraw/zinc/42/88/29/662428829.db2.gz	NBQVATXZRCGRIZ-MXWKQRLJSA-N	2	0	308.386	-1.203	20	0		DAADRP
O=S(=O)(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[NH2+]CC1	ZINC000091673346	662428884	/nfs/dbraw/zinc/42/88/84/662428884.db2.gz	BADQYKHLYJPWOK-NWDGAFQWSA-N	2	0	304.416	-1.411	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O	ZINC001023216390	662442069	/nfs/dbraw/zinc/44/20/69/662442069.db2.gz	GHFWFNKOEMGEIZ-HZSPNIEDSA-N	2	0	324.425	-1.136	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21	ZINC001025708442	662526547	/nfs/dbraw/zinc/52/65/47/662526547.db2.gz	UHTJGBJGGGSQPA-MOWSAHLDSA-N	2	0	320.393	-1.068	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1	ZINC001020028858	662537062	/nfs/dbraw/zinc/53/70/62/662537062.db2.gz	LMZUHUSIQSGFPU-IJLUTSLNSA-N	2	0	323.397	-1.131	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1	ZINC001020028859	662537365	/nfs/dbraw/zinc/53/73/65/662537365.db2.gz	LMZUHUSIQSGFPU-SRVKXCTJSA-N	2	0	323.397	-1.131	20	0		DAADRP
Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nc1=O	ZINC001027216714	662576111	/nfs/dbraw/zinc/57/61/11/662576111.db2.gz	XEOYIFQKVBVOGY-NEPJUHHUSA-N	2	0	322.413	-1.002	20	0		DAADRP
Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1=O	ZINC001027216715	662576522	/nfs/dbraw/zinc/57/65/22/662576522.db2.gz	XEOYIFQKVBVOGY-NWDGAFQWSA-N	2	0	322.413	-1.002	20	0		DAADRP
C[NH+](C)CCn1cc(C(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)cn1	ZINC001028857571	662692628	/nfs/dbraw/zinc/69/26/28/662692628.db2.gz	YEWHLRSQMYBUFC-LBPRGKRZSA-N	2	0	322.413	-1.018	20	0		DAADRP
Cn1[nH]c(CN2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1=O	ZINC001028984887	662694497	/nfs/dbraw/zinc/69/44/97/662694497.db2.gz	FWZYVCCIIXJQFP-NEPJUHHUSA-N	2	0	322.413	-1.002	20	0		DAADRP
Cn1[nH]c(CN2CC[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1=O	ZINC001028984889	662694525	/nfs/dbraw/zinc/69/45/25/662694525.db2.gz	FWZYVCCIIXJQFP-RYUDHWBXSA-N	2	0	322.413	-1.002	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)NCCN2CC[NH2+]CC2)CC1=O	ZINC000237162044	662697654	/nfs/dbraw/zinc/69/76/54/662697654.db2.gz	CNRDROMUZDOOEM-CYBMUJFWSA-N	2	0	311.430	-1.582	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)NCCN2CC[NH2+]CC2)CC1=O	ZINC000237160524	662697785	/nfs/dbraw/zinc/69/77/85/662697785.db2.gz	CNRDROMUZDOOEM-ZDUSSCGKSA-N	2	0	311.430	-1.582	20	0		DAADRP
C[NH+](C)CCN1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1=O	ZINC000898269822	662747398	/nfs/dbraw/zinc/74/73/98/662747398.db2.gz	LLDOHFGJCMKIDW-CQSZACIVSA-N	2	0	324.425	-1.061	20	0		DAADRP
C[NH2+]CCN(C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C(C)C	ZINC000903816390	662790464	/nfs/dbraw/zinc/79/04/64/662790464.db2.gz	NSTZXNNIKSICRC-QWHCGFSZSA-N	2	0	312.414	-1.280	20	0		DAADRP
C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)C[C@]2(C)C1	ZINC000904968050	662792231	/nfs/dbraw/zinc/79/22/31/662792231.db2.gz	FHCSDZQUGXBYAV-KCXAZCMYSA-N	2	0	324.425	-1.291	20	0		DAADRP
COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[NH+](C)C	ZINC000905012829	662793283	/nfs/dbraw/zinc/79/32/83/662793283.db2.gz	FBAVVRBVBHMCLD-LBPRGKRZSA-N	2	0	300.403	-1.157	20	0		DAADRP
[NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1	ZINC000904985815	662793371	/nfs/dbraw/zinc/79/33/71/662793371.db2.gz	DPVQTESXUNMPKA-MELADBBJSA-N	2	0	324.425	-1.006	20	0		DAADRP
C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC[NH2+]1	ZINC000904988097	662793402	/nfs/dbraw/zinc/79/34/02/662793402.db2.gz	SMMNBVKESZPRSH-MELADBBJSA-N	2	0	324.425	-1.136	20	0		DAADRP
COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1	ZINC000905016558	662793445	/nfs/dbraw/zinc/79/34/45/662793445.db2.gz	SMHKNZFFQNIGNJ-CZUORRHYSA-N	2	0	324.425	-1.013	20	0		DAADRP
[NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1	ZINC000904985347	662793621	/nfs/dbraw/zinc/79/36/21/662793621.db2.gz	ACFRJLTULFMHOJ-UPJWGTAASA-N	2	0	310.398	-1.396	20	0		DAADRP
CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000904987254	662793670	/nfs/dbraw/zinc/79/36/70/662793670.db2.gz	OBJHUUUHMVWMTK-CHWSQXEVSA-N	2	0	312.414	-1.149	20	0		DAADRP
[NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1	ZINC000904985342	662793756	/nfs/dbraw/zinc/79/37/56/662793756.db2.gz	ACFRJLTULFMHOJ-AGIUHOORSA-N	2	0	310.398	-1.396	20	0		DAADRP
[NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1	ZINC000904985345	662793917	/nfs/dbraw/zinc/79/39/17/662793917.db2.gz	ACFRJLTULFMHOJ-JHJVBQTASA-N	2	0	310.398	-1.396	20	0		DAADRP
O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000904987612	662794073	/nfs/dbraw/zinc/79/40/73/662794073.db2.gz	QGQMPYPZTDXBTH-FQUUOJAGSA-N	2	0	322.409	-1.383	20	0		DAADRP
[NH3+][C@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1	ZINC000904985346	662794137	/nfs/dbraw/zinc/79/41/37/662794137.db2.gz	ACFRJLTULFMHOJ-RWMBFGLXSA-N	2	0	310.398	-1.396	20	0		DAADRP
C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000904985402	662794186	/nfs/dbraw/zinc/79/41/86/662794186.db2.gz	BCZPUDQAJGAWGA-CHWSQXEVSA-N	2	0	312.414	-1.278	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2	ZINC000911029506	663136094	/nfs/dbraw/zinc/13/60/94/663136094.db2.gz	CLFSOHBURIDUBO-XJKSGUPXSA-N	2	0	323.441	-1.297	20	0		DAADRP
C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1	ZINC000911073329	663136643	/nfs/dbraw/zinc/13/66/43/663136643.db2.gz	RZPREULUZOJOLD-BXUZGUMPSA-N	2	0	300.403	-1.245	20	0		DAADRP
COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1	ZINC000911072703	663136713	/nfs/dbraw/zinc/13/67/13/663136713.db2.gz	NDDWIBUIRCVZGQ-WCQYABFASA-N	2	0	310.398	-1.214	20	0		DAADRP
C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000911147445	663137498	/nfs/dbraw/zinc/13/74/98/663137498.db2.gz	HTJAZGNVYIGXSZ-FVCCEPFGSA-N	2	0	310.398	-1.310	20	0		DAADRP
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1	ZINC000911148678	663137533	/nfs/dbraw/zinc/13/75/33/663137533.db2.gz	ZSIBYFUOAUOQIB-AXAPSJFSSA-N	2	0	324.425	-1.103	20	0		DAADRP
[NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1	ZINC000911148929	663137591	/nfs/dbraw/zinc/13/75/91/663137591.db2.gz	SYSUEHMUCAEKTH-AVGNSLFASA-N	2	0	310.398	-1.085	20	0		DAADRP
O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2	ZINC000911147810	663137705	/nfs/dbraw/zinc/13/77/05/663137705.db2.gz	JQZFDONIBOBSID-IKOXMDCHSA-N	2	0	322.409	-1.025	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1	ZINC000911156161	663138069	/nfs/dbraw/zinc/13/80/69/663138069.db2.gz	NGARQQFAXKCAHW-NSHDSACASA-N	2	0	300.403	-1.124	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1	ZINC000911154492	663138362	/nfs/dbraw/zinc/13/83/62/663138362.db2.gz	BPENVXZALJTGQW-LBPRGKRZSA-N	2	0	300.403	-1.122	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C	ZINC000911155778	663138406	/nfs/dbraw/zinc/13/84/06/663138406.db2.gz	LLQWVCLUUCYSMJ-LLVKDONJSA-N	2	0	300.403	-1.205	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1	ZINC000911154491	663138478	/nfs/dbraw/zinc/13/84/78/663138478.db2.gz	BPENVXZALJTGQW-GFCCVEGCSA-N	2	0	300.403	-1.122	20	0		DAADRP
CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)C1CC1	ZINC000911185674	663138571	/nfs/dbraw/zinc/13/85/71/663138571.db2.gz	BLRNZLZOQIBTMK-HNNXBMFYSA-N	2	0	312.414	-1.101	20	0		DAADRP
COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1	ZINC000911174505	663138732	/nfs/dbraw/zinc/13/87/32/663138732.db2.gz	CUDSXOQPLOPQGV-HAQNSBGRSA-N	2	0	300.403	-1.076	20	0		DAADRP
COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)C1	ZINC000911236413	663139233	/nfs/dbraw/zinc/13/92/33/663139233.db2.gz	QQYODCZZPCWJIR-FRRDWIJNSA-N	2	0	312.414	-1.205	20	0		DAADRP
C[C@H](CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[N@H+](C)C1CC1	ZINC000911206588	663139288	/nfs/dbraw/zinc/13/92/88/663139288.db2.gz	QPJZREFALSFKQV-ABAIWWIYSA-N	2	0	312.414	-1.103	20	0		DAADRP
COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1	ZINC000911239892	663139560	/nfs/dbraw/zinc/13/95/60/663139560.db2.gz	FKLBSGNDMGPNDT-VXGBXAGGSA-N	2	0	312.414	-1.063	20	0		DAADRP
O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCNCC[NH2+]CC1	ZINC000911269548	663140208	/nfs/dbraw/zinc/14/02/08/663140208.db2.gz	LMMMQVSTRSSUHI-KBPBESRZSA-N	2	0	323.441	-1.249	20	0		DAADRP
CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1COC	ZINC000911244874	663140482	/nfs/dbraw/zinc/14/04/82/663140482.db2.gz	SJPBQKXXNCAZSM-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCNCC[NH2+]CC1	ZINC000911223682	663140638	/nfs/dbraw/zinc/14/06/38/663140638.db2.gz	RHIJYMOUYQLIOY-CQSZACIVSA-N	2	0	323.441	-1.392	20	0		DAADRP
O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO	ZINC000911275062	663140687	/nfs/dbraw/zinc/14/06/87/663140687.db2.gz	UJQODLIBDZVQBK-FRRDWIJNSA-N	2	0	310.398	-1.478	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C	ZINC000911259345	663140866	/nfs/dbraw/zinc/14/08/66/663140866.db2.gz	YBFNJMOIFJHOKK-LLVKDONJSA-N	2	0	300.403	-1.205	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)C[NH+](C)C	ZINC000911298702	663141073	/nfs/dbraw/zinc/14/10/73/663141073.db2.gz	TXTNYTUABDQQRN-NWDGAFQWSA-N	2	0	300.403	-1.077	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1	ZINC000911258982	663141145	/nfs/dbraw/zinc/14/11/45/663141145.db2.gz	VHPMOLYHXKACSR-NEPJUHHUSA-N	2	0	300.403	-1.076	20	0		DAADRP
O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000911327308	663141385	/nfs/dbraw/zinc/14/13/85/663141385.db2.gz	UJQODLIBDZVQBK-AVGNSLFASA-N	2	0	310.398	-1.478	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)C[NH+](C)C	ZINC000911310817	663141391	/nfs/dbraw/zinc/14/13/91/663141391.db2.gz	NXPGCKJNOAGTNW-NEPJUHHUSA-N	2	0	316.402	-1.826	20	0		DAADRP
CN(C)c1cc[nH+]c(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)c1	ZINC000911311860	663141395	/nfs/dbraw/zinc/14/13/95/663141395.db2.gz	UBHJQHNSZHDHSJ-ZDUSSCGKSA-N	2	0	321.381	-1.132	20	0		DAADRP
CN(C)c1cc[nH+]c(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)c1	ZINC000911311859	663141727	/nfs/dbraw/zinc/14/17/27/663141727.db2.gz	UBHJQHNSZHDHSJ-CYBMUJFWSA-N	2	0	321.381	-1.132	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)C[NH+](C)C	ZINC000911310820	663141873	/nfs/dbraw/zinc/14/18/73/663141873.db2.gz	NXPGCKJNOAGTNW-VXGBXAGGSA-N	2	0	316.402	-1.826	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)C[NH+](C)C	ZINC000911336156	663141898	/nfs/dbraw/zinc/14/18/98/663141898.db2.gz	KGQOQWHKMUKFQL-MQYJIDSJSA-N	2	0	312.414	-1.063	20	0		DAADRP
COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	ZINC000911325759	663142025	/nfs/dbraw/zinc/14/20/25/663142025.db2.gz	WWKIRCCPCLJPBV-FRRDWIJNSA-N	2	0	312.414	-1.110	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C[NH+](C)C	ZINC000911349038	663142634	/nfs/dbraw/zinc/14/26/34/663142634.db2.gz	WNENFYRTOLDFBX-QJPTWQEYSA-N	2	0	300.403	-1.064	20	0		DAADRP
C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NCCOCCC[NH3+])C[C@]2(C)C1	ZINC000911348176	663142893	/nfs/dbraw/zinc/14/28/93/663142893.db2.gz	OCWVJNILCZQGHD-DOMZBBRYSA-N	2	0	312.414	-1.122	20	0		DAADRP
C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000911339353	663142905	/nfs/dbraw/zinc/14/29/05/663142905.db2.gz	VPCDOHWVSJPDMB-YNEHKIRRSA-N	2	0	312.414	-1.232	20	0		DAADRP
CN(C)c1cc[nH+]c(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)c1	ZINC000911345826	663142960	/nfs/dbraw/zinc/14/29/60/663142960.db2.gz	CQBQHDVNNKAWRP-LBPRGKRZSA-N	2	0	321.381	-1.132	20	0		DAADRP
C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000911390311	663143664	/nfs/dbraw/zinc/14/36/64/663143664.db2.gz	ZFUWVVHZTORLJO-YIYPIFLZSA-N	2	0	324.425	-1.374	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)C[NH+](C)C	ZINC000911437164	663144502	/nfs/dbraw/zinc/14/45/02/663144502.db2.gz	ZCIABHXLDBAIFI-NWDGAFQWSA-N	2	0	300.403	-1.110	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)C[NH+](C)C	ZINC000911435338	663144685	/nfs/dbraw/zinc/14/46/85/663144685.db2.gz	LPSFLMCWNGJVTD-RYUDHWBXSA-N	2	0	316.402	-1.745	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CNOC1	ZINC000911465816	663145912	/nfs/dbraw/zinc/14/59/12/663145912.db2.gz	YDSLDOYKEAJURU-LLVKDONJSA-N	2	0	301.391	-2.042	20	0		DAADRP
[NH3+]CCN1CCC[C@H](C(=O)NCCCN2CC[NH2+]CC2)C1=O	ZINC000911630022	663149581	/nfs/dbraw/zinc/14/95/81/663149581.db2.gz	MWRLZAHAIXAAAP-CYBMUJFWSA-N	2	0	311.430	-1.405	20	0		DAADRP
CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000911703062	663150456	/nfs/dbraw/zinc/15/04/56/663150456.db2.gz	VBDIACBTMUEECA-KGLIPLIRSA-N	2	0	323.441	-1.440	20	0		DAADRP
O=C(CNC(=O)c1ccc2c(n1)C[NH2+]CC2)N1CC[NH2+]CC1	ZINC000911702900	663150848	/nfs/dbraw/zinc/15/08/48/663150848.db2.gz	ROYVYZSAEBBTOE-UHFFFAOYSA-N	2	0	303.366	-1.111	20	0		DAADRP
CN(CC[N@H+](C)CCO)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000912606835	663153787	/nfs/dbraw/zinc/15/37/87/663153787.db2.gz	YOQPTRJJFXZIKE-CYBMUJFWSA-N	2	0	314.430	-1.221	20	0		DAADRP
C[NH+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C	ZINC000913915906	663238277	/nfs/dbraw/zinc/23/82/77/663238277.db2.gz	SBLANKNWEMWLMS-UPJWGTAASA-N	2	0	312.414	-1.232	20	0		DAADRP
NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC000999765533	663563157	/nfs/dbraw/zinc/56/31/57/663563157.db2.gz	PAFCVKBOPNRTMO-LGESCRJUSA-N	2	0	322.409	-1.085	20	0		DAADRP
NC(=O)CN1CCC(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1	ZINC001002876244	663619639	/nfs/dbraw/zinc/61/96/39/663619639.db2.gz	TUUBOWGGIWLSFK-QWHCGFSZSA-N	2	0	310.398	-1.085	20	0		DAADRP
NC(=O)CN1CCC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1	ZINC001002876241	663620108	/nfs/dbraw/zinc/62/01/08/663620108.db2.gz	TUUBOWGGIWLSFK-OLZOCXBDSA-N	2	0	310.398	-1.085	20	0		DAADRP
NC(=O)CN1CCC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1	ZINC001002876246	663620210	/nfs/dbraw/zinc/62/02/10/663620210.db2.gz	TUUBOWGGIWLSFK-STQMWFEESA-N	2	0	310.398	-1.085	20	0		DAADRP
C[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC[C@H]2CO1)CCOCCO	ZINC000922110928	663621923	/nfs/dbraw/zinc/62/19/23/663621923.db2.gz	SJKGWIAQUOEJPN-UONOGXRCSA-N	2	0	315.414	-1.094	20	0		DAADRP
C[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1)CCOCCO	ZINC000922110929	663622446	/nfs/dbraw/zinc/62/24/46/663622446.db2.gz	SJKGWIAQUOEJPN-ZIAGYGMSSA-N	2	0	315.414	-1.094	20	0		DAADRP
COCC[N@H+](C)C[C@H](O)CN1CCC[NH2+]C[C@@H]1C(=O)OC	ZINC000923354387	663696711	/nfs/dbraw/zinc/69/67/11/663696711.db2.gz	TUZXIDKQWWLCDB-QWHCGFSZSA-N	2	0	303.403	-1.238	20	0		DAADRP
C[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+]1CCCCC1	ZINC000842015213	663876163	/nfs/dbraw/zinc/87/61/63/663876163.db2.gz	HVRIRTWIQJBLHL-GFCCVEGCSA-N	2	0	300.403	-1.243	20	0		DAADRP
CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(CC[NH3+])CCO	ZINC000842096428	663877082	/nfs/dbraw/zinc/87/70/82/663877082.db2.gz	AWSXRKDKWUQDTQ-LBPRGKRZSA-N	2	0	300.403	-1.243	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH2+]1	ZINC000842163898	663877136	/nfs/dbraw/zinc/87/71/36/663877136.db2.gz	ALCMVLBGMGVJHQ-JHJVBQTASA-N	2	0	310.398	-1.214	20	0		DAADRP
C[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH2+]1	ZINC000842163902	663877276	/nfs/dbraw/zinc/87/72/76/663877276.db2.gz	ALCMVLBGMGVJHQ-YNEHKIRRSA-N	2	0	310.398	-1.214	20	0		DAADRP
[NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000848616666	663892150	/nfs/dbraw/zinc/89/21/50/663892150.db2.gz	QMTWJYNQSXWVJJ-STQMWFEESA-N	2	0	312.414	-1.101	20	0		DAADRP
[NH3+]CC12CC(C1)CN2C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000851685812	663896348	/nfs/dbraw/zinc/89/63/48/663896348.db2.gz	WFHMPKAPXHIJLX-WULFKBJJSA-N	2	0	322.409	-1.085	20	0		DAADRP
[NH3+]C[C@H]1CC(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)=NO1	ZINC000852793459	663898531	/nfs/dbraw/zinc/89/85/31/663898531.db2.gz	BJBDOQJPIOCNDI-VXGBXAGGSA-N	2	0	323.397	-1.240	20	0		DAADRP
[NH3+]C[C@@H]1CC(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)=NO1	ZINC000852865687	663898536	/nfs/dbraw/zinc/89/85/36/663898536.db2.gz	MDBLKJPTGJZMMG-LBPRGKRZSA-N	2	0	323.397	-1.143	20	0		DAADRP
NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C2=NO[C@@H](C[NH3+])C2)C1	ZINC000852863579	663898577	/nfs/dbraw/zinc/89/85/77/663898577.db2.gz	GZTRUNQMFZGJOP-WDEREUQCSA-N	2	0	311.386	-1.206	20	0		DAADRP
[NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=NO[C@@H](C[NH3+])C1	ZINC000852879530	663898853	/nfs/dbraw/zinc/89/88/53/663898853.db2.gz	WSMWGHQLMKEIPB-WDEREUQCSA-N	2	0	311.386	-1.064	20	0		DAADRP
[NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C1=NO[C@@H](C[NH3+])C1	ZINC000852879527	663899070	/nfs/dbraw/zinc/89/90/70/663899070.db2.gz	WSMWGHQLMKEIPB-GHMZBOCLSA-N	2	0	311.386	-1.064	20	0		DAADRP
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000861756029	663918924	/nfs/dbraw/zinc/91/89/24/663918924.db2.gz	SLSAPURVKXFPGA-QNWHQSFQSA-N	2	0	310.398	-1.168	20	0		DAADRP
Cn1nnnc1CC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000866661395	663932076	/nfs/dbraw/zinc/93/20/76/663932076.db2.gz	ITNUSZGMFIBONH-GFCCVEGCSA-N	2	0	307.402	-1.104	20	0		DAADRP
O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000868419066	663934286	/nfs/dbraw/zinc/93/42/86/663934286.db2.gz	UJKSOSVKVFCCNB-RFQIPJPRSA-N	2	0	322.409	-1.383	20	0		DAADRP
C[C@H](CNS(=O)(=O)N1CC[NH2+]CC1)CN1CC[NH+](C)CC1	ZINC000923619685	663936762	/nfs/dbraw/zinc/93/67/62/663936762.db2.gz	KNWREVSLGWBTOM-CYBMUJFWSA-N	2	0	319.475	-1.391	20	0		DAADRP
COC1CC[NH+](CCNS(=O)(=O)N2CC[NH2+]CC2)CC1	ZINC000923624019	663937715	/nfs/dbraw/zinc/93/77/15/663937715.db2.gz	BYZFKQISHGUHTJ-UHFFFAOYSA-N	2	0	306.432	-1.163	20	0		DAADRP
C[C@]1(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[NH2+]CCO1	ZINC000872302093	663939529	/nfs/dbraw/zinc/93/95/29/663939529.db2.gz	ODTIWRUXGDXNTO-OZTPJHRESA-N	2	0	324.381	-1.242	20	0		DAADRP
O=S(=O)(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1C[NH2+]C1	ZINC000923639489	663944087	/nfs/dbraw/zinc/94/40/87/663944087.db2.gz	OLFXZETYPBUJLB-SECBINFHSA-N	2	0	316.349	-1.286	20	0		DAADRP
COC[C@@]1(C(=O)N(C)CCN2CC[NH2+]CC2)C[NH2+]CCO1	ZINC000876526198	663945532	/nfs/dbraw/zinc/94/55/32/663945532.db2.gz	QOWRRFOILLQUFA-CQSZACIVSA-N	2	0	300.403	-1.645	20	0		DAADRP
COC[C@@]1(C(=O)NCC(=O)N2CC[NH2+]CC2)C[NH2+]CCO1	ZINC000876512415	663945900	/nfs/dbraw/zinc/94/59/00/663945900.db2.gz	NMROANGUUZLIIW-CYBMUJFWSA-N	2	0	300.359	-2.461	20	0		DAADRP
COC[C@@]1(C(=O)NCCCN2CC[NH2+]CC2)C[NH2+]CCO1	ZINC000876502726	663946284	/nfs/dbraw/zinc/94/62/84/663946284.db2.gz	LMOBNFGIGZLWMV-CQSZACIVSA-N	2	0	300.403	-1.597	20	0		DAADRP
O=S(=O)(C1C[NH2+]C1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21	ZINC000923649533	663946480	/nfs/dbraw/zinc/94/64/80/663946480.db2.gz	VUMRKGISJBUKIC-NEPJUHHUSA-N	2	0	301.412	-1.012	20	0		DAADRP
COC[C@]1(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C[NH2+]CCO1	ZINC000876743290	663947592	/nfs/dbraw/zinc/94/75/92/663947592.db2.gz	BBLXGONGXQYYFK-YDHLFZDLSA-N	2	0	313.398	-1.029	20	0		DAADRP
COC[C@@]1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C[NH2+]CCO1	ZINC000876849007	663948083	/nfs/dbraw/zinc/94/80/83/663948083.db2.gz	WIBSQWIQWRNGEA-UKRRQHHQSA-N	2	0	312.414	-1.503	20	0		DAADRP
COC[C@]1(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)C[NH2+]CCO1	ZINC000876782372	663948437	/nfs/dbraw/zinc/94/84/37/663948437.db2.gz	PLSMVZJTVBQDRX-ZFWWWQNUSA-N	2	0	314.430	-1.257	20	0		DAADRP
COC[C@]1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[NH2+]CCO1	ZINC000876853482	663948643	/nfs/dbraw/zinc/94/86/43/663948643.db2.gz	LSEGSQNUIBRLFV-ZFWWWQNUSA-N	2	0	312.414	-1.503	20	0		DAADRP
COC[C@@]1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[NH2+]CCO1	ZINC000876853481	663948822	/nfs/dbraw/zinc/94/88/22/663948822.db2.gz	LSEGSQNUIBRLFV-UKRRQHHQSA-N	2	0	312.414	-1.503	20	0		DAADRP
COC[C@@]1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C[NH2+]CCO1	ZINC000876849005	663948829	/nfs/dbraw/zinc/94/88/29/663948829.db2.gz	WIBSQWIQWRNGEA-DZGCQCFKSA-N	2	0	312.414	-1.503	20	0		DAADRP
O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[NH2+]CC1	ZINC000923672240	663951872	/nfs/dbraw/zinc/95/18/72/663951872.db2.gz	BWYJKDBJHYSPEI-LBPRGKRZSA-N	2	0	318.443	-1.115	20	0		DAADRP
O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH2+]CC1	ZINC000923673144	663952035	/nfs/dbraw/zinc/95/20/35/663952035.db2.gz	ZPGYNFYGCUVUNC-GFCCVEGCSA-N	2	0	318.443	-1.115	20	0		DAADRP
C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000884559986	663964473	/nfs/dbraw/zinc/96/44/73/663964473.db2.gz	KNGKSMSRYYIUNC-VOAKCMCISA-N	2	0	310.398	-1.086	20	0		DAADRP
C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000884559988	663964849	/nfs/dbraw/zinc/96/48/49/663964849.db2.gz	KNGKSMSRYYIUNC-YVECIDJPSA-N	2	0	310.398	-1.086	20	0		DAADRP
O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2	ZINC000884560354	663964861	/nfs/dbraw/zinc/96/48/61/663964861.db2.gz	VOTVVUSGUCXIBE-CYDGBPFRSA-N	2	0	308.382	-1.462	20	0		DAADRP
[NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)N1CC[NH2+]CC1)CC2	ZINC000923687366	663965951	/nfs/dbraw/zinc/96/59/51/663965951.db2.gz	KKCMOUGBGUBAFJ-LBPRGKRZSA-N	2	0	318.443	-1.034	20	0		DAADRP
COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1	ZINC000884642749	663965963	/nfs/dbraw/zinc/96/59/63/663965963.db2.gz	QHQXNPFUMHYUGT-UPJWGTAASA-N	2	0	312.414	-1.124	20	0		DAADRP
C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC2C[NH2+]C2)C[C@H]1C[NH+](C)C	ZINC000884692775	663966235	/nfs/dbraw/zinc/96/62/35/663966235.db2.gz	WNWPLFTZPFJEAO-VXGBXAGGSA-N	3	0	311.430	-1.728	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC[C@H]21	ZINC000884725397	663966927	/nfs/dbraw/zinc/96/69/27/663966927.db2.gz	IKWHWFYNKBGIJM-JHJVBQTASA-N	2	0	310.398	-1.356	20	0		DAADRP
O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2	ZINC000884787475	663967571	/nfs/dbraw/zinc/96/75/71/663967571.db2.gz	SQNCBQUJBPFJGS-IHRRRGAJSA-N	2	0	322.409	-1.071	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000884812752	663967678	/nfs/dbraw/zinc/96/76/78/663967678.db2.gz	ZIXXPUZPZCGXQQ-QWHCGFSZSA-N	2	0	312.414	-1.109	20	0		DAADRP
CCN(C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@H]1CC[NH2+]C1	ZINC000887070772	663976022	/nfs/dbraw/zinc/97/60/22/663976022.db2.gz	SPGGHHJNUSKYPN-RWMBFGLXSA-N	2	0	310.398	-1.526	20	0		DAADRP
C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1	ZINC000926325480	663981902	/nfs/dbraw/zinc/98/19/02/663981902.db2.gz	MXDXQNZXBPIFFS-IUODEOHRSA-N	2	0	312.414	-1.149	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C[C@H]1[NH+](C)C	ZINC000926340254	663982254	/nfs/dbraw/zinc/98/22/54/663982254.db2.gz	FBJZTSYHNCFKAU-CHWSQXEVSA-N	2	0	311.430	-1.584	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C[C@H]1[NH+](C)C	ZINC000926341458	663982267	/nfs/dbraw/zinc/98/22/67/663982267.db2.gz	KLQWLXCORFOXEH-LALPHHSUSA-N	2	0	312.414	-1.293	20	0		DAADRP
CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000926334222	663982438	/nfs/dbraw/zinc/98/24/38/663982438.db2.gz	RUOOHBPOUTVBCW-CYBMUJFWSA-N	2	0	311.430	-1.582	20	0		DAADRP
C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCO1	ZINC000926333821	663982455	/nfs/dbraw/zinc/98/24/55/663982455.db2.gz	KUDQOFOOKPPOMI-MELADBBJSA-N	2	0	324.425	-1.014	20	0		DAADRP
C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1	ZINC000926327611	663982649	/nfs/dbraw/zinc/98/26/49/663982649.db2.gz	ZGLOLBQYFYOJQH-ZDUSSCGKSA-N	2	0	311.430	-1.440	20	0		DAADRP
[NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1	ZINC000926326099	663982697	/nfs/dbraw/zinc/98/26/97/663982697.db2.gz	KNMGTWURJXILHT-BBRMVZONSA-N	2	0	324.425	-1.005	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C[C@@H]1[NH+](C)C	ZINC000926341461	663982795	/nfs/dbraw/zinc/98/27/95/663982795.db2.gz	KLQWLXCORFOXEH-TYNCELHUSA-N	2	0	312.414	-1.293	20	0		DAADRP
CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000926360099	663983114	/nfs/dbraw/zinc/98/31/14/663983114.db2.gz	BYPORZFPBOJXSW-UHFFFAOYSA-N	2	0	313.446	-1.194	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[C@@H]1C[NH3+]	ZINC000926385916	663983605	/nfs/dbraw/zinc/98/36/05/663983605.db2.gz	AQQVHPKOSDPVMD-YIYPIFLZSA-N	2	0	324.425	-1.293	20	0		DAADRP
C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[C@@H]1C[NH3+]	ZINC000926385911	663983729	/nfs/dbraw/zinc/98/37/29/663983729.db2.gz	AQQVHPKOSDPVMD-RFQIPJPRSA-N	2	0	324.425	-1.293	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)CC[C@H]21	ZINC000926396546	663983939	/nfs/dbraw/zinc/98/39/39/663983939.db2.gz	MHNWWELLPFVLBC-IOASZLSFSA-N	2	0	324.425	-1.149	20	0		DAADRP
C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC[C@]([NH3+])(CO)C3)C2)C1	ZINC000926411280	663984223	/nfs/dbraw/zinc/98/42/23/663984223.db2.gz	CWOOAZRFPOUWRC-JKSUJKDBSA-N	2	0	324.425	-1.147	20	0		DAADRP
C[N@@H+]1C[C@@H](O)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1	ZINC000926400119	663984226	/nfs/dbraw/zinc/98/42/26/663984226.db2.gz	GMWLSJWNYUCODD-QNWHQSFQSA-N	2	0	310.398	-1.622	20	0		DAADRP
C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1	ZINC000926400121	663984244	/nfs/dbraw/zinc/98/42/44/663984244.db2.gz	GMWLSJWNYUCODD-UMSGYPCISA-N	2	0	310.398	-1.622	20	0		DAADRP
C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2	ZINC000926440523	663984512	/nfs/dbraw/zinc/98/45/12/663984512.db2.gz	SAGICOQKJRMQHN-IOASZLSFSA-N	2	0	324.425	-1.088	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@]([NH3+])(CO)C3)CC[C@@H]21	ZINC000926396544	663984714	/nfs/dbraw/zinc/98/47/14/663984714.db2.gz	MHNWWELLPFVLBC-DVOMOZLQSA-N	2	0	324.425	-1.149	20	0		DAADRP
C[C@H](CNC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1)N1C[C@H]2C[NH2+]C[C@@H]2C1	ZINC000929313392	663988158	/nfs/dbraw/zinc/98/81/58/663988158.db2.gz	WXGNBBLNAAMDJD-IBEHDNSVSA-N	2	0	321.469	-1.207	20	0		DAADRP
CN1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000929882027	663988541	/nfs/dbraw/zinc/98/85/41/663988541.db2.gz	POQHVHWPTJAWMQ-AGIUHOORSA-N	2	0	310.398	-1.214	20	0		DAADRP
O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21	ZINC000962560192	664379102	/nfs/dbraw/zinc/37/91/02/664379102.db2.gz	ZJOKSVUIODPOHX-OZTPJHRESA-N	2	0	320.393	-1.066	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)C1	ZINC000963382550	664390095	/nfs/dbraw/zinc/39/00/95/664390095.db2.gz	JGZNKUHTJWEVRW-MJBXVCDLSA-N	2	0	324.425	-1.278	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)C1	ZINC000963512811	664392078	/nfs/dbraw/zinc/39/20/78/664392078.db2.gz	AAHQGGAZQNNAST-MCIONIFRSA-N	2	0	324.425	-1.278	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)C1	ZINC001016250810	664572705	/nfs/dbraw/zinc/57/27/05/664572705.db2.gz	QXESPRPRPQHYHN-NEPJUHHUSA-N	2	0	323.397	-1.320	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)C1	ZINC001016250815	664573012	/nfs/dbraw/zinc/57/30/12/664573012.db2.gz	QXESPRPRPQHYHN-VXGBXAGGSA-N	2	0	323.397	-1.320	20	0		DAADRP
C[NH+](C)CCn1cc(C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)cn1	ZINC001019496850	664601517	/nfs/dbraw/zinc/60/15/17/664601517.db2.gz	BQMJUZRHHWVCPL-LBPRGKRZSA-N	2	0	308.386	-1.266	20	0		DAADRP
C[NH+](C)CCC(=O)N(CCO)CCNC(=O)Cc1c[nH]cn1	ZINC001058711022	677687128	/nfs/dbraw/zinc/68/71/28/677687128.db2.gz	ZKWWEUBMRTXTAF-UHFFFAOYSA-N	2	0	311.386	-1.159	20	0		DAADRP
C[NH+]1CCC(CC(=O)N[C@@H]2CN([C@H]3CCNC3=O)C[C@H]2O)CC1	ZINC001077778651	677880669	/nfs/dbraw/zinc/88/06/69/677880669.db2.gz	VIMVXZJLGKQKGG-HZSPNIEDSA-N	2	0	324.425	-1.232	20	0		DAADRP
C[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1	ZINC001077778410	677880917	/nfs/dbraw/zinc/88/09/17/677880917.db2.gz	IICAUZNBVVUQEB-CYZMBNFOSA-N	2	0	312.414	-1.247	20	0		DAADRP
C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001082919679	678120177	/nfs/dbraw/zinc/12/01/77/678120177.db2.gz	AKPRHDFRYIWTST-GRYCIOLGSA-N	2	0	322.413	-1.003	20	0		DAADRP
C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001082919680	678120221	/nfs/dbraw/zinc/12/02/21/678120221.db2.gz	AKPRHDFRYIWTST-IJLUTSLNSA-N	2	0	322.413	-1.003	20	0		DAADRP
C[NH+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1	ZINC001042104902	678315985	/nfs/dbraw/zinc/31/59/85/678315985.db2.gz	UHBYMRAEXJHOGG-CHWSQXEVSA-N	2	0	324.425	-1.278	20	0		DAADRP
C[NH+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1	ZINC001042104903	678316180	/nfs/dbraw/zinc/31/61/80/678316180.db2.gz	UHBYMRAEXJHOGG-OLZOCXBDSA-N	2	0	324.425	-1.278	20	0		DAADRP
C[NH+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1	ZINC001042104905	678316259	/nfs/dbraw/zinc/31/62/59/678316259.db2.gz	UHBYMRAEXJHOGG-STQMWFEESA-N	2	0	324.425	-1.278	20	0		DAADRP
C[NH+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1	ZINC001043114755	678365130	/nfs/dbraw/zinc/36/51/30/678365130.db2.gz	ARVHYKZYVHALTG-CHWSQXEVSA-N	2	0	324.425	-1.278	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)C1	ZINC001043118584	678366135	/nfs/dbraw/zinc/36/61/35/678366135.db2.gz	HTVFOQBUFBUWGP-ZDUSSCGKSA-N	2	0	324.425	-1.277	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)C1	ZINC001043126767	678367504	/nfs/dbraw/zinc/36/75/04/678367504.db2.gz	CXBVTMHLWNIOAX-ZDUSSCGKSA-N	2	0	324.425	-1.277	20	0		DAADRP
C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1	ZINC001045412545	678455728	/nfs/dbraw/zinc/45/57/28/678455728.db2.gz	DFDSQYNZDIYCPE-UHFFFAOYSA-N	2	0	314.430	-1.031	20	0		DAADRP
C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1	ZINC001045716246	678469843	/nfs/dbraw/zinc/46/98/43/678469843.db2.gz	APXZEDNSYORASQ-UHFFFAOYSA-N	2	0	314.430	-1.031	20	0		DAADRP
C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1	ZINC001045713941	678469959	/nfs/dbraw/zinc/46/99/59/678469959.db2.gz	SIXJZDIEYPPOID-GFCCVEGCSA-N	2	0	312.414	-1.421	20	0		DAADRP
CC[C@@H](C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1)[NH+](C)C	ZINC001045713533	678470076	/nfs/dbraw/zinc/47/00/76/678470076.db2.gz	JMCPKOQMARHYCW-LBPRGKRZSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[C@]1(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CCN(CC(N)=O)C1	ZINC001046501144	678483592	/nfs/dbraw/zinc/48/35/92/678483592.db2.gz	KQTPFKRSENTZJL-MJVOBMLWSA-N	2	0	322.409	-1.085	20	0		DAADRP
CN(C(=O)[C@H]1CCn2cncc2C1)[C@H]1C[N@H+](CCO)C[C@@H]1O	ZINC001047432021	678518586	/nfs/dbraw/zinc/51/85/86/678518586.db2.gz	VFEDTOGEHJGSLA-UBHSHLNASA-N	2	0	308.382	-1.059	20	0		DAADRP
C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C	ZINC001057212102	678699814	/nfs/dbraw/zinc/69/98/14/678699814.db2.gz	IURRZMPKLCCSKN-ZDUSSCGKSA-N	2	0	314.430	-1.031	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1	ZINC001201334129	782217746	/nfs/dbraw/zinc/21/77/46/782217746.db2.gz	FYULCGHNUNHCFR-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NC(N)=O	ZINC001273910065	782222007	/nfs/dbraw/zinc/22/20/07/782222007.db2.gz	MDSQHQSAFSZLEH-WZQADMAKSA-N	2	0	311.386	-1.074	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1	ZINC001202060222	782227188	/nfs/dbraw/zinc/22/71/88/782227188.db2.gz	VPWCFNZKPTXTIS-CHWSQXEVSA-N	2	0	312.414	-1.109	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1	ZINC001202316344	782233685	/nfs/dbraw/zinc/23/36/85/782233685.db2.gz	XLRMJLVPPCLHFU-UHFFFAOYSA-N	2	0	313.402	-1.026	20	0		DAADRP
C[NH+](C)CCN1C[C@]2(CC[N@H+](C[C@H](O)CO)C2)OCC1=O	ZINC001274564631	782283611	/nfs/dbraw/zinc/28/36/11/782283611.db2.gz	KMAQIBDQCUGWHP-GXTWGEPZSA-N	2	0	301.387	-1.796	20	0		DAADRP
C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)CCc1c[nH]cn1	ZINC001275180021	782304028	/nfs/dbraw/zinc/30/40/28/782304028.db2.gz	QTWBVXLXUKGYQQ-JTQLQIEISA-N	2	0	322.369	-1.012	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC(N)=O)C1	ZINC001111406912	782358362	/nfs/dbraw/zinc/35/83/62/782358362.db2.gz	GRFXFLDEIFIEBN-KKOKHZNYSA-N	2	0	323.397	-1.146	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21	ZINC001114778307	782377286	/nfs/dbraw/zinc/37/72/86/782377286.db2.gz	IKSJWNARKHNREF-BBGACYKPSA-N	2	0	308.382	-1.210	20	0		DAADRP
C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O	ZINC001099975261	782518866	/nfs/dbraw/zinc/51/88/66/782518866.db2.gz	ZVBFNTOBCSDELD-KBPBESRZSA-N	2	0	317.430	-1.112	20	0		DAADRP
CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCOCCO)C[C@H]1O	ZINC001100064267	782545396	/nfs/dbraw/zinc/54/53/96/782545396.db2.gz	KPIQWPSNWVXQCS-UONOGXRCSA-N	2	0	317.430	-1.112	20	0		DAADRP
C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O	ZINC001100073415	782547319	/nfs/dbraw/zinc/54/73/19/782547319.db2.gz	CPJYQJHWXVIOLD-CHWSQXEVSA-N	2	0	303.403	-1.502	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1	ZINC001100637423	782580745	/nfs/dbraw/zinc/58/07/45/782580745.db2.gz	RCWZWRMLMLLQEJ-UHFFFAOYSA-N	2	0	313.402	-1.122	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1CC([NH2+]CC(N)=O)C1	ZINC001100986377	782588793	/nfs/dbraw/zinc/58/87/93/782588793.db2.gz	SOUBZMRHINZBOQ-HIFPTAJRSA-N	2	0	312.414	-1.076	20	0		DAADRP
C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1	ZINC001101432321	782595333	/nfs/dbraw/zinc/59/53/33/782595333.db2.gz	LTWMKVJCMDYCBW-DOMZBBRYSA-N	2	0	312.414	-1.170	20	0		DAADRP
CN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)COCC[NH+](C)C)C1=O	ZINC001115125958	782643683	/nfs/dbraw/zinc/64/36/83/782643683.db2.gz	FOBTUJIHTRMIEF-COMQUAJESA-N	2	0	324.425	-1.158	20	0		DAADRP
C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21	ZINC001115126371	782643857	/nfs/dbraw/zinc/64/38/57/782643857.db2.gz	MXAIGXBNAJJZIU-COMQUAJESA-N	2	0	324.425	-1.110	20	0		DAADRP
CN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)COCC[NH+](C)C)C1=O	ZINC001115125960	782643915	/nfs/dbraw/zinc/64/39/15/782643915.db2.gz	FOBTUJIHTRMIEF-SFDCQRBFSA-N	2	0	324.425	-1.158	20	0		DAADRP
O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[NH2+]CC1	ZINC001118553783	782725131	/nfs/dbraw/zinc/72/51/31/782725131.db2.gz	XHXKZCJEZDWOAV-ZDUSSCGKSA-N	2	0	310.398	-1.212	20	0		DAADRP
CC(C)(O)CN1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1	ZINC001119426871	782752506	/nfs/dbraw/zinc/75/25/06/782752506.db2.gz	AJDLCOCHLUYYMQ-HAQNSBGRSA-N	2	0	312.414	-1.245	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C1	ZINC001266542293	775152881	/nfs/dbraw/zinc/15/28/81/775152881.db2.gz	NNIDHNIPIXXSTJ-NWDGAFQWSA-N	2	0	318.443	-1.180	20	0		DAADRP
C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCN1C(=O)CNC1=O	ZINC001266985799	775192410	/nfs/dbraw/zinc/19/24/10/775192410.db2.gz	QECOMYRQRDXXAL-LLVKDONJSA-N	2	0	323.397	-1.272	20	0		DAADRP
C[NH+](C)CCC(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1	ZINC001100638691	775229362	/nfs/dbraw/zinc/22/93/62/775229362.db2.gz	YLBOKDKHRVRBAV-UHFFFAOYSA-N	2	0	320.459	-1.028	20	0		DAADRP
CC(C)[C@H](C(=O)N(C)CC[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001267425392	775239481	/nfs/dbraw/zinc/23/94/81/775239481.db2.gz	WHOVEAGXVXUGQJ-LLVKDONJSA-N	2	0	301.391	-1.185	20	0		DAADRP
CN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001267457065	775239988	/nfs/dbraw/zinc/23/99/88/775239988.db2.gz	RGYQOSDZOGJRBY-NSHDSACASA-N	2	0	308.382	-1.065	20	0		DAADRP
CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)C12CC[NH+](CC1)C2	ZINC001267457004	775240815	/nfs/dbraw/zinc/24/08/15/775240815.db2.gz	QTQRZVWENZOQEH-UHFFFAOYSA-N	2	0	324.425	-1.011	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CCN1C(=O)CNC1=O	ZINC001267474410	775245191	/nfs/dbraw/zinc/24/51/91/775245191.db2.gz	RGZYDGOIQKYEMA-UHFFFAOYSA-N	2	0	313.402	-1.074	20	0		DAADRP
[NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[NH2+]C1	ZINC001161418712	775250825	/nfs/dbraw/zinc/25/08/25/775250825.db2.gz	MLAQYHUPNZTQMG-UHFFFAOYSA-N	2	0	300.319	-4.317	20	0		DAADRP
C[C@H]1C[NH2+]C[C@@H](CNC(=O)CN(CC[NH3+])S(C)(=O)=O)C1	ZINC001219646264	775271801	/nfs/dbraw/zinc/27/18/01/775271801.db2.gz	RBEQPSJKUGZUJJ-MNOVXSKESA-N	2	0	306.432	-1.432	20	0		DAADRP
COC(=O)CNC(=O)CNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C	ZINC001220574507	775276093	/nfs/dbraw/zinc/27/60/93/775276093.db2.gz	ADKDRGWUBXCMGY-JTQLQIEISA-N	2	0	302.375	-1.549	20	0		DAADRP
C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(n2cc(CNCCO)nn2)C1	ZINC001105327125	775309441	/nfs/dbraw/zinc/30/94/41/775309441.db2.gz	SZORKLAYHJLIRX-SMDDNHRTSA-N	2	0	322.413	-1.059	20	0		DAADRP
C[C@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001268645169	775412837	/nfs/dbraw/zinc/41/28/37/775412837.db2.gz	JLTUSFGXWUDGQM-IJLUTSLNSA-N	2	0	320.459	-1.030	20	0		DAADRP
CN(CC(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12)C(N)=[NH2+]	ZINC001268995904	775432725	/nfs/dbraw/zinc/43/27/25/775432725.db2.gz	FJXFIOKHLJSAEI-QWRGUYRKSA-N	2	0	322.413	-1.520	20	0		DAADRP
C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2	ZINC001269246836	775452279	/nfs/dbraw/zinc/45/22/79/775452279.db2.gz	AMFNPZHUGMJPAW-CYBMUJFWSA-N	2	0	324.425	-1.061	20	0		DAADRP
CN(CC(=O)N1CCC([NH+]2CCC(C(N)=O)CC2)CC1)C(N)=[NH2+]	ZINC001269348878	775461101	/nfs/dbraw/zinc/46/11/01/775461101.db2.gz	TXGWIRYGVDBSLB-UHFFFAOYSA-N	2	0	324.429	-1.000	20	0		DAADRP
C[C@H](CNC(=O)Cc1c[nH]cn1)C[NH2+]CCN1C(=O)CNC1=O	ZINC001270525243	775496127	/nfs/dbraw/zinc/49/61/27/775496127.db2.gz	FZWPWWCHTPNELL-JTQLQIEISA-N	2	0	322.369	-1.154	20	0		DAADRP
C[C@@H](CNC(=O)Cc1c[nH]cn1)C[NH2+]CCN1C(=O)CNC1=O	ZINC001270525244	775496504	/nfs/dbraw/zinc/49/65/04/775496504.db2.gz	FZWPWWCHTPNELL-SNVBAGLBSA-N	2	0	322.369	-1.154	20	0		DAADRP
C[NH+](C)C1CCC([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC1	ZINC001168312208	775649855	/nfs/dbraw/zinc/64/98/55/775649855.db2.gz	LFCXSFKKCMFVBS-UHFFFAOYSA-N	2	0	313.402	-1.834	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CC(=O)NC(N)=O	ZINC001272224942	775654164	/nfs/dbraw/zinc/65/41/64/775654164.db2.gz	JZYWOGZBIJGXSO-SNVBAGLBSA-N	2	0	315.374	-2.314	20	0		DAADRP
C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CCN1CC(N)=O	ZINC001088757223	775655919	/nfs/dbraw/zinc/65/59/19/775655919.db2.gz	OFPSONJEGJWWNV-KOKZCLCDSA-N	2	0	322.409	-1.086	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]CCN1CCCC1=O	ZINC001272583819	775784170	/nfs/dbraw/zinc/78/41/70/775784170.db2.gz	KPTXOPQRAKTTTJ-ZDUSSCGKSA-N	2	0	312.414	-1.229	20	0		DAADRP
C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)NC(N)=O	ZINC001127466494	775807551	/nfs/dbraw/zinc/80/75/51/775807551.db2.gz	OPSKBEVJEQTDPF-MWLCHTKSSA-N	2	0	311.386	-1.383	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1	ZINC001127562960	775811707	/nfs/dbraw/zinc/81/17/07/775811707.db2.gz	QBRLXPLKSCOMLM-NSHDSACASA-N	2	0	310.402	-1.101	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001127643751	775818684	/nfs/dbraw/zinc/81/86/84/775818684.db2.gz	KBWJZNGVUDPJPT-VXGBXAGGSA-N	2	0	320.459	-1.028	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O	ZINC001124879324	775831710	/nfs/dbraw/zinc/83/17/10/775831710.db2.gz	RJKDQFOIBDVEAA-STQMWFEESA-N	2	0	312.414	-1.230	20	0		DAADRP
COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001124872574	775832596	/nfs/dbraw/zinc/83/25/96/775832596.db2.gz	KQRNEJBVECTKDX-GFCCVEGCSA-N	2	0	300.403	-1.061	20	0		DAADRP
COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001124879332	775834137	/nfs/dbraw/zinc/83/41/37/775834137.db2.gz	RPGSCZDDWGFMRX-STQMWFEESA-N	2	0	303.403	-1.190	20	0		DAADRP
COC(=O)[C@@H](NS(=O)(=O)[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1	ZINC001238705875	775854155	/nfs/dbraw/zinc/85/41/55/775854155.db2.gz	DQXWYZNRMNPUJL-MNOVXSKESA-N	2	0	305.400	-1.191	20	0		DAADRP
O=C(NCC[NH2+]CCn1cncn1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001127784744	775862858	/nfs/dbraw/zinc/86/28/58/775862858.db2.gz	BBCLYPQSIQOVAU-CHWSQXEVSA-N	2	0	308.386	-1.153	20	0		DAADRP
Cn1nncc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001127780219	775862962	/nfs/dbraw/zinc/86/29/62/775862962.db2.gz	XDYHPNXFDUBYFY-YPMHNXCESA-N	2	0	308.386	-1.116	20	0		DAADRP
O=C(NCC[NH2+]CCOCCO)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001127778870	775865024	/nfs/dbraw/zinc/86/50/24/775865024.db2.gz	HHVJXGXAKZNQOQ-OLZOCXBDSA-N	2	0	301.387	-1.436	20	0		DAADRP
CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CC(=O)NC(=O)NC	ZINC001128533982	775982702	/nfs/dbraw/zinc/98/27/02/775982702.db2.gz	VAGOIVPNUMMGAO-SNVBAGLBSA-N	2	0	319.381	-1.172	20	0		DAADRP
C[NH+](C)CC1(C(=O)N[C@@H]2CN(CCO)C[C@@H]2n2ccnn2)CC1	ZINC001129209460	776054049	/nfs/dbraw/zinc/05/40/49/776054049.db2.gz	FPHDKTXGVMXJMX-OLZOCXBDSA-N	2	0	322.413	-1.046	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O	ZINC001081732129	776116900	/nfs/dbraw/zinc/11/69/00/776116900.db2.gz	CZDDFIXHQQSHPK-OLZOCXBDSA-N	2	0	314.430	-1.175	20	0		DAADRP
CN(c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2)C1C[NH2+]C1	ZINC001166977226	776186474	/nfs/dbraw/zinc/18/64/74/776186474.db2.gz	PKOWNTNAZGZHBW-UHFFFAOYSA-N	2	0	311.411	-1.024	20	0		DAADRP
C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O	ZINC001099975264	776210255	/nfs/dbraw/zinc/21/02/55/776210255.db2.gz	ZVBFNTOBCSDELD-ZIAGYGMSSA-N	2	0	317.430	-1.112	20	0		DAADRP
NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1	ZINC001086091892	776240657	/nfs/dbraw/zinc/24/06/57/776240657.db2.gz	RNWMVADBWKKROY-QNWHQSFQSA-N	2	0	310.398	-1.181	20	0		DAADRP
CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O	ZINC001100041278	776250009	/nfs/dbraw/zinc/25/00/09/776250009.db2.gz	GVMXDBGDBPEVSC-KGLIPLIRSA-N	2	0	317.430	-1.112	20	0		DAADRP
C[NH+]1CCC(OCC(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2O)CC1	ZINC001100050777	776252350	/nfs/dbraw/zinc/25/23/50/776252350.db2.gz	MWYTUPMGTRXTLK-ZIAGYGMSSA-N	2	0	315.414	-1.359	20	0		DAADRP
NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1	ZINC001086373276	776258447	/nfs/dbraw/zinc/25/84/47/776258447.db2.gz	RNWMVADBWKKROY-FDYHWXHSSA-N	2	0	310.398	-1.181	20	0		DAADRP
CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CN(C)CCO1	ZINC001156144192	776272984	/nfs/dbraw/zinc/27/29/84/776272984.db2.gz	BDDKWCXPTHKIPR-LBPRGKRZSA-N	2	0	300.403	-1.063	20	0		DAADRP
CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CN(C)CCO1	ZINC001156144191	776273336	/nfs/dbraw/zinc/27/33/36/776273336.db2.gz	BDDKWCXPTHKIPR-GFCCVEGCSA-N	2	0	300.403	-1.063	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@]1(O)CCC[NH2+]C1	ZINC001157323463	776379900	/nfs/dbraw/zinc/37/99/00/776379900.db2.gz	RBYOOBYDLFJJPO-SMDDNHRTSA-N	2	0	300.403	-1.149	20	0		DAADRP
[NH3+]CCCC[C@H](NC(=O)[C@H]1C[NH2+]CCN1)C(=O)N1CCCC1	ZINC001157380128	776385384	/nfs/dbraw/zinc/38/53/84/776385384.db2.gz	WJPKTFHUYRXXPY-QWHCGFSZSA-N	2	0	311.430	-1.216	20	0		DAADRP
CNC(=O)C1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1	ZINC001157495916	776399191	/nfs/dbraw/zinc/39/91/91/776399191.db2.gz	OEPPAUMUBCUXFU-CYBMUJFWSA-N	2	0	311.430	-1.279	20	0		DAADRP
CNC(=O)C1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1	ZINC001157495917	776399581	/nfs/dbraw/zinc/39/95/81/776399581.db2.gz	OEPPAUMUBCUXFU-ZDUSSCGKSA-N	2	0	311.430	-1.279	20	0		DAADRP
[NH3+][C@H]1CN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[C@H]1F	ZINC001157536229	776404636	/nfs/dbraw/zinc/40/46/36/776404636.db2.gz	JEPQRLYZTLQWKR-MXWKQRLJSA-N	2	0	319.402	-1.092	20	0		DAADRP
CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2	ZINC001157716992	776427457	/nfs/dbraw/zinc/42/74/57/776427457.db2.gz	VYWWJGHPNCGZIV-MNOVXSKESA-N	2	0	317.411	-1.790	20	0		DAADRP
CC(=O)NCSC[C@H]([NH3+])C(=O)N(C)C[C@@H]1C[NH2+]CCO1	ZINC001157716430	776428362	/nfs/dbraw/zinc/42/83/62/776428362.db2.gz	NHWIGHDFCHFBGT-QWRGUYRKSA-N	2	0	304.416	-1.413	20	0		DAADRP
COC(=O)[C@@]1(F)CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1	ZINC001157716512	776428403	/nfs/dbraw/zinc/42/84/03/776428403.db2.gz	OVTARFYYPSLEIW-SMDDNHRTSA-N	2	0	316.377	-1.150	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C	ZINC001129443605	776471278	/nfs/dbraw/zinc/47/12/78/776471278.db2.gz	KZKLINGXHSNBFC-LBPRGKRZSA-N	2	0	320.459	-1.028	20	0		DAADRP
CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1	ZINC001129991883	776489675	/nfs/dbraw/zinc/48/96/75/776489675.db2.gz	AWOTYEVPEFWTBH-NEPJUHHUSA-N	2	0	323.401	-1.683	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H](CO)[C@@H](O)C1	ZINC001157906020	776493101	/nfs/dbraw/zinc/49/31/01/776493101.db2.gz	YPOYNRRCFZPCFQ-WXHSDQCUSA-N	2	0	300.403	-2.062	20	0		DAADRP
CC[C@H](C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O)[NH+](C)C	ZINC001130205763	776497262	/nfs/dbraw/zinc/49/72/62/776497262.db2.gz	VUOHPWUWMWHYOB-LLVKDONJSA-N	2	0	313.402	-1.026	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21	ZINC001130186928	776497963	/nfs/dbraw/zinc/49/79/63/776497963.db2.gz	MMEFVKVQOHKPFP-MNOVXSKESA-N	2	0	311.386	-1.096	20	0		DAADRP
CC[C@H](C(=O)NCC[NH2+]CC(=O)N1CCOCC1)[NH+](C)C	ZINC001130197133	776498129	/nfs/dbraw/zinc/49/81/29/776498129.db2.gz	DCDCUQKMAQSPIW-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H](O)[C@@H](CO)C1	ZINC001157936528	776499021	/nfs/dbraw/zinc/49/90/21/776499021.db2.gz	HBRZINRVUAEINF-KGYLQXTDSA-N	2	0	300.403	-2.062	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O	ZINC001130303398	776500743	/nfs/dbraw/zinc/50/07/43/776500743.db2.gz	BHNZRPNTLAHEAW-NSHDSACASA-N	2	0	311.386	-1.272	20	0		DAADRP
C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O	ZINC001130303895	776501129	/nfs/dbraw/zinc/50/11/29/776501129.db2.gz	NJKBHHVONTWQQF-LLVKDONJSA-N	2	0	306.432	-1.274	20	0		DAADRP
C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O	ZINC001130303397	776501188	/nfs/dbraw/zinc/50/11/88/776501188.db2.gz	BHNZRPNTLAHEAW-LLVKDONJSA-N	2	0	311.386	-1.272	20	0		DAADRP
C[C@]1(CO)CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C[C@@H]1O	ZINC001157946908	776504829	/nfs/dbraw/zinc/50/48/29/776504829.db2.gz	POGFRYUPPHYYSY-KCQAQPDRSA-N	2	0	314.430	-1.671	20	0		DAADRP
C[C@]1(CO)CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC[C@@H]1O	ZINC001157946465	776507145	/nfs/dbraw/zinc/50/71/45/776507145.db2.gz	NKBBPDZZASYGEJ-KCQAQPDRSA-N	2	0	314.430	-1.671	20	0		DAADRP
CCOC(=O)C1(C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)C[NH2+]C1	ZINC001158102510	776532112	/nfs/dbraw/zinc/53/21/12/776532112.db2.gz	SYBHPYGFOUBVLI-CYBMUJFWSA-N	2	0	310.354	-2.170	20	0		DAADRP
C[C@@H]([NH2+]CCNC(=O)C12CCC[NH+]1CCC2)C(=O)NC(N)=O	ZINC001130810531	776534523	/nfs/dbraw/zinc/53/45/23/776534523.db2.gz	VCPKSPSIRWTZKK-SNVBAGLBSA-N	2	0	311.386	-1.096	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1	ZINC001130867906	776540745	/nfs/dbraw/zinc/54/07/45/776540745.db2.gz	TYLVOJFIEXPXMM-UHFFFAOYSA-N	2	0	304.310	-1.151	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC[C@@]12CCC[NH2+]C2	ZINC001158162771	776545130	/nfs/dbraw/zinc/54/51/30/776545130.db2.gz	ZMRFFAKAISZHGV-CYBMUJFWSA-N	2	0	318.443	-1.049	20	0		DAADRP
Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(N)=O	ZINC001131062105	776554814	/nfs/dbraw/zinc/55/48/14/776554814.db2.gz	WCPVPJWWQJPVQT-VXGBXAGGSA-N	2	0	322.413	-1.259	20	0		DAADRP
O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)NC1CC1	ZINC001131520505	776574013	/nfs/dbraw/zinc/57/40/13/776574013.db2.gz	ZVHOLAWLMUOTSY-ULKWEWGCSA-N	2	0	322.409	-1.166	20	0		DAADRP
O=C(C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC1	ZINC001131520311	776574572	/nfs/dbraw/zinc/57/45/72/776574572.db2.gz	XGLKQIDUTLLQRV-MFOWVQHXSA-N	2	0	322.409	-1.212	20	0		DAADRP
CC[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C(N)=O	ZINC001131521574	776575200	/nfs/dbraw/zinc/57/52/00/776575200.db2.gz	BUWYRGCNWNCJMQ-XWAURUHHSA-N	2	0	310.398	-1.181	20	0		DAADRP
COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131519429	776575279	/nfs/dbraw/zinc/57/52/79/776575279.db2.gz	FETZJAHCEVZWRQ-SBEAFCBVSA-N	2	0	313.398	-1.437	20	0		DAADRP
COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1	ZINC001132848842	776643029	/nfs/dbraw/zinc/64/30/29/776643029.db2.gz	TZGMJWQMDHWAGJ-CHWSQXEVSA-N	2	0	303.403	-1.191	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1	ZINC001132995242	776649346	/nfs/dbraw/zinc/64/93/46/776649346.db2.gz	OVUJTVLNNAYZPG-SNVBAGLBSA-N	2	0	313.402	-1.122	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCNC(=O)CCC[NH+](C)C	ZINC001133051632	776651010	/nfs/dbraw/zinc/65/10/10/776651010.db2.gz	ISMDXFSIBFVFAD-UHFFFAOYSA-N	2	0	308.448	-1.027	20	0		DAADRP
C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1	ZINC001133290759	776663926	/nfs/dbraw/zinc/66/39/26/776663926.db2.gz	ATTUFVZPSFTWRA-LBPRGKRZSA-N	2	0	300.403	-1.203	20	0		DAADRP
C[NH+]1CCC(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CC1	ZINC001133281544	776663939	/nfs/dbraw/zinc/66/39/39/776663939.db2.gz	BNOZJZHNMCPGLP-UHFFFAOYSA-N	2	0	311.386	-1.414	20	0		DAADRP
C[NH+](C)CCC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O	ZINC001133294505	776665365	/nfs/dbraw/zinc/66/53/65/776665365.db2.gz	LNBTZZXBFJQCFE-UHFFFAOYSA-N	2	0	313.402	-1.026	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001133845329	776679264	/nfs/dbraw/zinc/67/92/64/776679264.db2.gz	BGZOYCYASWBIKO-NSHDSACASA-N	2	0	313.402	-1.120	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001133849678	776680136	/nfs/dbraw/zinc/68/01/36/776680136.db2.gz	BSTFLVNEJAQXMX-LBPRGKRZSA-N	2	0	320.459	-1.027	20	0		DAADRP
C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1	ZINC001133871251	776681431	/nfs/dbraw/zinc/68/14/31/776681431.db2.gz	ZTJDTCVENKAZMT-QWHCGFSZSA-N	2	0	312.414	-1.251	20	0		DAADRP
CC1(C)CC[N@H+](CC(=O)NCC[NH2+]CCNS(C)(=O)=O)C1	ZINC001133896642	776681571	/nfs/dbraw/zinc/68/15/71/776681571.db2.gz	MOCBIXSAXAUJJO-UHFFFAOYSA-N	2	0	320.459	-1.027	20	0		DAADRP
C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1	ZINC001133871249	776681824	/nfs/dbraw/zinc/68/18/24/776681824.db2.gz	ZTJDTCVENKAZMT-CHWSQXEVSA-N	2	0	312.414	-1.251	20	0		DAADRP
CC[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCOCC1)[NH+](C)C	ZINC001133982510	776686213	/nfs/dbraw/zinc/68/62/13/776686213.db2.gz	DCDCUQKMAQSPIW-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
CNC(=O)C[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1	ZINC001134021191	776687094	/nfs/dbraw/zinc/68/70/94/776687094.db2.gz	UPCGETQZYCLEBQ-GFCCVEGCSA-N	2	0	300.403	-1.061	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21	ZINC001135095970	776735268	/nfs/dbraw/zinc/73/52/68/776735268.db2.gz	YCEKHCODLVJXOD-WDEREUQCSA-N	2	0	311.386	-1.096	20	0		DAADRP
C[NH+](C)CCn1cc(C(=O)NCC[NH2+][C@H]2CCNC2=O)cn1	ZINC001135118415	776737444	/nfs/dbraw/zinc/73/74/44/776737444.db2.gz	MDEKFYORHUAYMJ-LBPRGKRZSA-N	2	0	308.386	-1.347	20	0		DAADRP
C[NH+]1CCC(OCC(=O)NCC[NH2+]CCS(C)(=O)=O)CC1	ZINC001135959373	776775570	/nfs/dbraw/zinc/77/55/70/776775570.db2.gz	PRHQMLCFVGUSRH-UHFFFAOYSA-N	2	0	321.443	-1.152	20	0		DAADRP
O=C([C@@H]1C[C@@H](NC[C@@H]2COCC[NH2+]2)C[NH2+]1)N1CCSC1	ZINC001246278693	776832435	/nfs/dbraw/zinc/83/24/35/776832435.db2.gz	MAAZHEKVENDXBP-UTUOFQBUSA-N	2	0	300.428	-1.172	20	0		DAADRP
O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O	ZINC001090818897	776855432	/nfs/dbraw/zinc/85/54/32/776855432.db2.gz	XLZMVTFLCVWQHW-KBPBESRZSA-N	2	0	322.413	-1.075	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@]([NH3+])(CO)C3)C[C@@H]21	ZINC001119705814	779512015	/nfs/dbraw/zinc/51/20/15/779512015.db2.gz	ZXGGMJNGFSOOKL-TYNCELHUSA-N	2	0	310.398	-1.539	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1	ZINC001124867164	779604287	/nfs/dbraw/zinc/60/42/87/779604287.db2.gz	STVTUHLWQRLTIX-OLZOCXBDSA-N	2	0	312.414	-1.061	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1	ZINC001124872431	779604507	/nfs/dbraw/zinc/60/45/07/779604507.db2.gz	FWLJNJBWYSIDLC-LLVKDONJSA-N	2	0	311.386	-1.225	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)C1	ZINC001151048506	779669596	/nfs/dbraw/zinc/66/95/96/779669596.db2.gz	BXBCBNNUDGAGDA-GFCCVEGCSA-N	2	0	312.414	-1.061	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)C1	ZINC001151056514	779670388	/nfs/dbraw/zinc/67/03/88/779670388.db2.gz	NRWWOJBVHVATIX-OLZOCXBDSA-N	2	0	312.414	-1.373	20	0		DAADRP
CC(=O)NCCOCC[NH2+]CCNC(=O)C[NH+]1CCCC1	ZINC001151100399	779671117	/nfs/dbraw/zinc/67/11/17/779671117.db2.gz	BMBPSVJWKIXRKL-UHFFFAOYSA-N	2	0	300.403	-1.059	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1	ZINC001151049808	779671449	/nfs/dbraw/zinc/67/14/49/779671449.db2.gz	ZKABORUWFRAGSY-LLVKDONJSA-N	2	0	311.386	-2.398	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1	ZINC001151066365	779671721	/nfs/dbraw/zinc/67/17/21/779671721.db2.gz	UBXRKTGQVLQAQE-LLVKDONJSA-N	2	0	311.386	-1.414	20	0		DAADRP
COCCOC[C@H](O)C[NH2+]CCNC(=O)C[NH+]1CCCC1	ZINC001151101593	779671772	/nfs/dbraw/zinc/67/17/72/779671772.db2.gz	ULOAVVBJRFMBRS-CYBMUJFWSA-N	2	0	303.403	-1.188	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCn1cncn1	ZINC001151159816	779673311	/nfs/dbraw/zinc/67/33/11/779673311.db2.gz	ULXDWQXIBZPWHJ-ZDUSSCGKSA-N	2	0	310.402	-1.048	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCOCCO	ZINC001151157926	779673566	/nfs/dbraw/zinc/67/35/66/779673566.db2.gz	NBICTCDWSXPRCD-CYBMUJFWSA-N	2	0	303.403	-1.331	20	0		DAADRP
O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc(N3CC[NH2+]CC3)nn2)N1	ZINC001155568984	779732629	/nfs/dbraw/zinc/73/26/29/779732629.db2.gz	CQOHXKKEEXSSIB-QMTHXVAHSA-N	2	0	303.370	-1.124	20	0		DAADRP
O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc(N3CC[NH2+]CC3)nn2)N1	ZINC001155568985	779733272	/nfs/dbraw/zinc/73/32/72/779733272.db2.gz	CQOHXKKEEXSSIB-YGRLFVJLSA-N	2	0	303.370	-1.124	20	0		DAADRP
O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cncc(N3CC[NH2+]CC3)n2)N1	ZINC001155570415	779733279	/nfs/dbraw/zinc/73/32/79/779733279.db2.gz	MXBQVTWYOWQFPX-YGRLFVJLSA-N	2	0	303.370	-1.124	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@H](C)[NH3+]	ZINC001157336938	779752014	/nfs/dbraw/zinc/75/20/14/779752014.db2.gz	QKZIYHCVWBENLE-GUBZILKMSA-N	2	0	301.391	-1.802	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1	ZINC001157322878	779752068	/nfs/dbraw/zinc/75/20/68/779752068.db2.gz	BMPDUFIEECTVFC-QWRGUYRKSA-N	2	0	313.402	-2.323	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1cncn1C	ZINC001157322928	779752474	/nfs/dbraw/zinc/75/24/74/779752474.db2.gz	DVGUZGGTTOZQBM-RYUDHWBXSA-N	2	0	310.402	-1.350	20	0		DAADRP
[NH3+]CCCC[C@H](NC(=O)[C@H]1[NH2+]CC[C@@H]1O)C(=O)N1CCCC1	ZINC001157379533	779753311	/nfs/dbraw/zinc/75/33/11/779753311.db2.gz	MHSXUUFQRQEIPJ-AVGNSLFASA-N	2	0	312.414	-1.055	20	0		DAADRP
N[C@]1(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)CC[NH2+]C1	ZINC001157380180	779753424	/nfs/dbraw/zinc/75/34/24/779753424.db2.gz	YPBNEKVAXQRYHA-SWLSCSKDSA-N	2	0	311.430	-1.087	20	0		DAADRP
[NH3+]CCCC[C@H](NC(=O)[C@@H]1C[C@H]([NH3+])CN1)C(=O)N1CCCC1	ZINC001157380142	779753528	/nfs/dbraw/zinc/75/35/28/779753528.db2.gz	WYRQNLCGLATLRW-AVGNSLFASA-N	2	0	311.430	-1.088	20	0		DAADRP
[NH3+]CCCC[C@H](NC(=O)CNC(=O)C[NH3+])C(=O)N1CCCC1	ZINC001157369844	779753584	/nfs/dbraw/zinc/75/35/84/779753584.db2.gz	XRADMTTYNOVAMF-NSHDSACASA-N	2	0	313.402	-1.703	20	0		DAADRP
C[N@@H+]1C[C@H](C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)OC2(CC[NH2+]CC2)C1	ZINC001157536214	779756378	/nfs/dbraw/zinc/75/63/78/779756378.db2.gz	IVIIZOFESGDXGJ-GRYCIOLGSA-N	3	0	300.378	-1.053	20	0		DAADRP
COC(=O)N1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1	ZINC001157508392	779756520	/nfs/dbraw/zinc/75/65/20/779756520.db2.gz	UBQDIQMNEGTOMN-GFCCVEGCSA-N	2	0	313.402	-1.353	20	0		DAADRP
CN(C[C@@H]1C[NH2+]CCO1)C(=O)CN(CC[NH3+])S(C)(=O)=O	ZINC001157715140	779757326	/nfs/dbraw/zinc/75/73/26/779757326.db2.gz	BUYKFFBNRZBTIS-JTQLQIEISA-N	2	0	308.404	-2.347	20	0		DAADRP
CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N(C)C[C@@H]1C[NH2+]CCO1	ZINC001157714919	779757340	/nfs/dbraw/zinc/75/73/40/779757340.db2.gz	AHVRQXGJFASLHR-RYUDHWBXSA-N	2	0	300.403	-1.077	20	0		DAADRP
COC(=O)[C@]1(F)CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1	ZINC001157716510	779757516	/nfs/dbraw/zinc/75/75/16/779757516.db2.gz	OVTARFYYPSLEIW-FZMZJTMJSA-N	2	0	316.377	-1.150	20	0		DAADRP
CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001157716175	779757544	/nfs/dbraw/zinc/75/75/44/779757544.db2.gz	MEWNOMOMRRLHOT-VXGBXAGGSA-N	2	0	310.398	-1.451	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1C[C@@H](F)[C@@H]([NH3+])C1)C(N)=O	ZINC001157544947	779757627	/nfs/dbraw/zinc/75/76/27/779757627.db2.gz	KADGYIFOOMUDLZ-UYXSQOIJSA-N	2	0	303.338	-2.409	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H](C[NH3+])[C@H]1C	ZINC001157846346	779759267	/nfs/dbraw/zinc/75/92/67/779759267.db2.gz	HCJWHZCLPUGTLJ-ZDCRXTMVSA-N	2	0	313.402	-1.720	20	0		DAADRP
[NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1	ZINC001157739818	779759537	/nfs/dbraw/zinc/75/95/37/779759537.db2.gz	KAKNILPXMSZQHT-YPMHNXCESA-N	2	0	300.378	-1.004	20	0		DAADRP
O=C([C@H]1COC2(C1)CC[NH2+]CC2)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158091716	779765227	/nfs/dbraw/zinc/76/52/27/779765227.db2.gz	HCHOMALHGOHAJO-IUODEOHRSA-N	2	0	322.409	-1.164	20	0		DAADRP
O=C([C@@H]1C[NH2+]CC12CCOCC2)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158092608	779765258	/nfs/dbraw/zinc/76/52/58/779765258.db2.gz	OGSAUZBOPSOKHB-BLLLJJGKSA-N	2	0	322.409	-1.307	20	0		DAADRP
O=C([C@H]1CC[C@H]2[NH2+]CC[C@H]2O1)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158091916	779765292	/nfs/dbraw/zinc/76/52/92/779765292.db2.gz	KBYHQLFGHZILMC-RTWAVKEYSA-N	2	0	308.382	-1.414	20	0		DAADRP
O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158093517	779765317	/nfs/dbraw/zinc/76/53/17/779765317.db2.gz	WOWUSGYDWJWUOF-MLGOLLRUSA-N	3	0	321.425	-1.449	20	0		DAADRP
[NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CCOC2(CC[NH2+]CC2)C1	ZINC001158076310	779765584	/nfs/dbraw/zinc/76/55/84/779765584.db2.gz	CXMJQSBUKOOSRR-LBPRGKRZSA-N	2	0	310.398	-1.083	20	0		DAADRP
O=C([C@@H]1NC(=O)CC12C[NH2+]C2)N1CCOC2(CC[NH2+]CC2)C1	ZINC001158070676	779765643	/nfs/dbraw/zinc/76/56/43/779765643.db2.gz	NDORHAZFZJRPEO-LBPRGKRZSA-N	2	0	308.382	-1.555	20	0		DAADRP
O=C([C@H]1NC(=O)CC12C[NH2+]C2)N1CCOC2(CC[NH2+]CC2)C1	ZINC001158070675	779765740	/nfs/dbraw/zinc/76/57/40/779765740.db2.gz	NDORHAZFZJRPEO-GFCCVEGCSA-N	2	0	308.382	-1.555	20	0		DAADRP
O=C([C@H]1C[NH2+]CC12CCOCC2)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158092615	779765744	/nfs/dbraw/zinc/76/57/44/779765744.db2.gz	OGSAUZBOPSOKHB-WBMJQRKESA-N	2	0	322.409	-1.307	20	0		DAADRP
O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158093523	779765920	/nfs/dbraw/zinc/76/59/20/779765920.db2.gz	WPMVMMMGYOQRDN-FUTJPDQTSA-N	2	0	308.382	-1.556	20	0		DAADRP
[NH3+][C@@H](Cc1cscn1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158094022	779765976	/nfs/dbraw/zinc/76/59/76/779765976.db2.gz	ZJZVOTLMGVPRNJ-GWCFXTLKSA-N	2	0	309.395	-1.297	20	0		DAADRP
NC(=O)NCCC[C@H]([NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158091459	779766003	/nfs/dbraw/zinc/76/60/03/779766003.db2.gz	CMKYJSPXHGZHCZ-ZANVPECISA-N	2	0	312.374	-2.547	20	0		DAADRP
O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158092727	779766048	/nfs/dbraw/zinc/76/60/48/779766048.db2.gz	PUVPCSQZEIQQJW-NFFDBFGFSA-N	2	0	322.409	-1.309	20	0		DAADRP
O=C([C@@H]1C[NH2+]Cc2ccnn2C1)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158091370	779766128	/nfs/dbraw/zinc/76/61/28/779766128.db2.gz	BUDUXMROOQBHRA-ABAIWWIYSA-N	2	0	318.381	-1.707	20	0		DAADRP
[NH3+][C@H](Cc1cccc(O)c1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158092172	779766189	/nfs/dbraw/zinc/76/61/89/779766189.db2.gz	LRHAJWGTCKMXNI-CJNGLKHVSA-N	2	0	318.377	-1.048	20	0		DAADRP
C[S@](=O)CC[C@H]([NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158103055	779766871	/nfs/dbraw/zinc/76/68/71/779766871.db2.gz	ZZIHTWXHEXGOAM-HYQGUANPSA-N	2	0	302.400	-2.227	20	0		DAADRP
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158102460	779766908	/nfs/dbraw/zinc/76/69/08/779766908.db2.gz	SJMZMWKVSRGRFP-UEKVPHQBSA-N	2	0	324.381	-1.924	20	0		DAADRP
O=C(C[C@@H]1C[NH2+]CC1(F)F)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158101021	779766944	/nfs/dbraw/zinc/76/69/44/779766944.db2.gz	FUAVJRVWURXWRP-SKDRFNHKSA-N	2	0	302.325	-1.078	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158101865	779767049	/nfs/dbraw/zinc/76/70/49/779767049.db2.gz	NHDIQOZIWBAVMO-JOYOIKCWSA-N	3	0	301.416	-2.304	20	0		DAADRP
C[NH2+][C@@H]1CCCN(CC(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)C1	ZINC001158102911	779767156	/nfs/dbraw/zinc/76/71/56/779767156.db2.gz	XZMQXZOCIBFZML-DOMZBBRYSA-N	2	0	309.414	-1.639	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158101523	779767293	/nfs/dbraw/zinc/76/72/93/779767293.db2.gz	JLIPEMZLCOAPLW-MWODSPESSA-N	2	0	313.358	-3.499	20	0		DAADRP
O=C(c1noc2c1C[NH2+]CC2)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158110642	779767453	/nfs/dbraw/zinc/76/74/53/779767453.db2.gz	HMACHDMJLHJQGI-CQSZACIVSA-N	2	0	305.338	-1.376	20	0		DAADRP
O=C(C[C@@H]1C[NH2+]CC1(F)F)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158101018	779767521	/nfs/dbraw/zinc/76/75/21/779767521.db2.gz	FUAVJRVWURXWRP-BXKDBHETSA-N	2	0	302.325	-1.078	20	0		DAADRP
[NH3+][C@@H](Cn1cccn1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158111227	779768274	/nfs/dbraw/zinc/76/82/74/779768274.db2.gz	LRPHOEOGNVYJRH-NHYWBVRUSA-N	2	0	318.381	-1.852	20	0		DAADRP
N[C@@H](C[NH3+])c1ccc(C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)cc1	ZINC001158112511	779768312	/nfs/dbraw/zinc/76/83/12/779768312.db2.gz	YYRVAZSOBJUXHR-XJKSGUPXSA-N	2	0	317.393	-1.051	20	0		DAADRP
O=C(N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)[C@]12CC[C@H]1C[NH2+]C2	ZINC001158118791	779768377	/nfs/dbraw/zinc/76/83/77/779768377.db2.gz	DLTUFWNOSQYQKK-KNXALSJPSA-N	2	0	304.394	-1.076	20	0		DAADRP
[NH3+][C@H](C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)C1CC[NH2+]CC1	ZINC001158120352	779768630	/nfs/dbraw/zinc/76/86/30/779768630.db2.gz	LDXIAIXYHFKBFW-BLLLJJGKSA-N	3	0	321.425	-1.749	20	0		DAADRP
[NH3+][C@@H](C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)C1CC[NH2+]CC1	ZINC001158120355	779768695	/nfs/dbraw/zinc/76/86/95/779768695.db2.gz	LDXIAIXYHFKBFW-MLGOLLRUSA-N	3	0	321.425	-1.749	20	0		DAADRP
[NH3+]CCNC(=O)/C=C/C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158111947	779768866	/nfs/dbraw/zinc/76/88/66/779768866.db2.gz	SXIGTVCWDFPFPQ-YLSAJCSVSA-N	2	0	321.381	-2.444	20	0		DAADRP
O=C([C@H]1C[NH2+]CCC1=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158121693	779769240	/nfs/dbraw/zinc/76/92/40/779769240.db2.gz	WBYSWLHSSYSSNM-ZUZCIYMTSA-N	2	0	306.366	-1.897	20	0		DAADRP
O=C([C@@H]1CC[NH2+]C[C@@H]1F)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158121044	779769609	/nfs/dbraw/zinc/76/96/09/779769609.db2.gz	RRUZTQFXHRIYDN-ZETOZRRWSA-N	2	0	310.373	-1.128	20	0		DAADRP
CO[C@@H]1CC[NH2+][C@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C1	ZINC001158121615	779769965	/nfs/dbraw/zinc/76/99/65/779769965.db2.gz	VHXYHONGCNXNCP-WQGACYEGSA-N	2	0	322.409	-1.309	20	0		DAADRP
CO[C@@H]1CC[NH2+][C@@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C1	ZINC001158121616	779770070	/nfs/dbraw/zinc/77/00/70/779770070.db2.gz	VHXYHONGCNXNCP-XHBSWPGZSA-N	2	0	322.409	-1.309	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1	ZINC001158180488	779770988	/nfs/dbraw/zinc/77/09/88/779770988.db2.gz	XQNNPTTUOIBIQS-ZRUFSTJUSA-N	2	0	300.359	-2.743	20	0		DAADRP
O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1	ZINC001158168698	779771097	/nfs/dbraw/zinc/77/10/97/779771097.db2.gz	XGNOHSFRRYEJRH-JHJVBQTASA-N	2	0	322.409	-1.451	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1	ZINC001158179120	779771142	/nfs/dbraw/zinc/77/11/42/779771142.db2.gz	IOMTTZWYMOHUTM-KWCYVHTRSA-N	3	0	311.430	-1.816	20	0		DAADRP
CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1	ZINC001158180534	779771275	/nfs/dbraw/zinc/77/12/75/779771275.db2.gz	ZDXLDXMHGWPPHG-FRRDWIJNSA-N	2	0	312.414	-1.077	20	0		DAADRP
CC(C)(O)[C@H]([NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158260796	779772018	/nfs/dbraw/zinc/77/20/18/779772018.db2.gz	HITGSHIAFKXFIH-LLVKDONJSA-N	2	0	308.386	-1.203	20	0		DAADRP
[NH3+]CC(=O)NCC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158262961	779772546	/nfs/dbraw/zinc/77/25/46/779772546.db2.gz	WQKIHZVUQJYIAH-UHFFFAOYSA-N	2	0	307.358	-2.226	20	0		DAADRP
O=C(CN1CC[NH2+]CC1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158277787	779772780	/nfs/dbraw/zinc/77/27/80/779772780.db2.gz	UYXVWMAZWOJOSI-UHFFFAOYSA-N	2	0	319.413	-1.396	20	0		DAADRP
[NH3+]CCC[C@@H]([NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158259906	779773048	/nfs/dbraw/zinc/77/30/48/779773048.db2.gz	ACTBTYPLUHTOFS-LLVKDONJSA-N	3	0	307.402	-1.235	20	0		DAADRP
CCOC(=O)c1nc2n(n1)CCN(C(=O)C[NH2+]CCC[NH3+])C2	ZINC001158430576	779775877	/nfs/dbraw/zinc/77/58/77/779775877.db2.gz	JIIWYRCULCCUFK-UHFFFAOYSA-N	2	0	310.358	-1.265	20	0		DAADRP
O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC[C@H]2[NH2+]C[C@@H]21	ZINC001158415519	779775940	/nfs/dbraw/zinc/77/59/40/779775940.db2.gz	LZLKUBXXUPQEAL-TUAOUCFPSA-N	2	0	317.397	-1.113	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@]12C[NH2+]C[C@H]1CCN2	ZINC001158495624	779777195	/nfs/dbraw/zinc/77/71/95/779777195.db2.gz	AGCPDJBMZAFALY-IPNGBCKKSA-N	2	0	322.409	-1.310	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@]12C[NH2+]C[C@@H]1CCN2	ZINC001158495623	779777205	/nfs/dbraw/zinc/77/72/05/779777205.db2.gz	AGCPDJBMZAFALY-BLXSCJOCSA-N	2	0	322.409	-1.310	20	0		DAADRP
O=C(NCCC[NH2+]CCOCCO)[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001158505314	779777254	/nfs/dbraw/zinc/77/72/54/779777254.db2.gz	ARWSOPSRHDPLSG-KBPBESRZSA-N	2	0	315.414	-1.046	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C1(O)CC[NH2+]CC1	ZINC001158495973	779777259	/nfs/dbraw/zinc/77/72/59/779777259.db2.gz	HZUUHZNHQUOFLA-SDDRHHMPSA-N	2	0	311.382	-1.147	20	0		DAADRP
O=C(N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3)[C@]12C[NH2+]C[C@H]1CCN2	ZINC001158535561	779778214	/nfs/dbraw/zinc/77/82/14/779778214.db2.gz	XNBICDIOIYTWIS-DFMBRWPFSA-N	2	0	306.410	-1.083	20	0		DAADRP
[NH3+]C1([C@@H]2CN(C(=O)[C@H]3NC(=O)CC34C[NH2+]C4)C[C@@H]2CF)CC1	ZINC001158567174	779778248	/nfs/dbraw/zinc/77/82/48/779778248.db2.gz	FMYJDCLSODJQEX-HOSYDEDBSA-N	2	0	310.373	-1.000	20	0		DAADRP
CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H](N)C[NH3+]	ZINC001158735149	779779463	/nfs/dbraw/zinc/77/94/63/779779463.db2.gz	PHGGCLTUQIEHSC-QMMMGPOBSA-N	2	0	317.371	-2.106	20	0		DAADRP
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)CC2	ZINC001158890820	779781771	/nfs/dbraw/zinc/78/17/71/779781771.db2.gz	NXIDLLVRJCLIPY-STQMWFEESA-N	2	0	324.425	-1.230	20	0		DAADRP
C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[NH2+]CCN2)C1	ZINC001159134057	779787981	/nfs/dbraw/zinc/78/79/81/779787981.db2.gz	MIHFKCHNOKHDOM-OLZOCXBDSA-N	2	0	306.414	-1.036	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2	ZINC001159289862	779791433	/nfs/dbraw/zinc/79/14/33/779791433.db2.gz	BZNMVYFMRLLMIW-AAEUAGOBSA-N	2	0	324.425	-1.245	20	0		DAADRP
COC(=O)c1cc(S(N)(=O)=O)cnc1N[C@H]([NH3+])CCC[NH3+]	ZINC001159788089	779797959	/nfs/dbraw/zinc/79/79/59/779797959.db2.gz	GXCAHCHVLOTETL-VIFPVBQESA-N	2	0	317.371	-1.049	20	0		DAADRP
CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2	ZINC001159929259	779799196	/nfs/dbraw/zinc/79/91/96/779799196.db2.gz	AFIAJHILROZJLI-NSHDSACASA-N	2	0	323.401	-1.287	20	0		DAADRP
CN1C[C@@H]2CN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C[C@@H]2C1=O	ZINC001159887738	779799422	/nfs/dbraw/zinc/79/94/22/779799422.db2.gz	XTDKARXIKNKFKN-WXHSDQCUSA-N	2	0	309.414	-1.717	20	0		DAADRP
CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)C[NH2+]CCC[NH3+])C2	ZINC001160172378	779801807	/nfs/dbraw/zinc/80/18/07/779801807.db2.gz	DFRAYFZEBSJQHB-AWEZNQCLSA-N	2	0	311.386	-2.126	20	0		DAADRP
CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC001160440509	779806080	/nfs/dbraw/zinc/80/60/80/779806080.db2.gz	QWFFRPIPKFFKFP-WDEREUQCSA-N	2	0	314.386	-1.277	20	0		DAADRP
CS(=O)(=O)N1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1	ZINC001160432005	779806336	/nfs/dbraw/zinc/80/63/36/779806336.db2.gz	KMYWVQJAPVSOSP-SNVBAGLBSA-N	2	0	302.400	-2.101	20	0		DAADRP
CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CCC[NH3+]	ZINC001160439243	779806919	/nfs/dbraw/zinc/80/69/19/779806919.db2.gz	ITMQBZXSGXTEOH-UWVGGRQHSA-N	2	0	300.359	-1.667	20	0		DAADRP
COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CCC[NH3+]	ZINC001160494278	779809585	/nfs/dbraw/zinc/80/95/85/779809585.db2.gz	RZXBEILJWNJPNU-NRPADANISA-N	2	0	319.383	-1.331	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[NH+](C(C)(C)C)CC1	ZINC001160581202	779811099	/nfs/dbraw/zinc/81/10/99/779811099.db2.gz	DZLLWUFZFNPMRI-QWRGUYRKSA-N	2	0	300.403	-1.247	20	0		DAADRP
COC(=O)CN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1	ZINC001160530987	779811206	/nfs/dbraw/zinc/81/12/06/779811206.db2.gz	DFHKQHJOUDCCCO-IUODEOHRSA-N	2	0	310.398	-1.497	20	0		DAADRP
O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCN(C2CCOCC2)C(=O)C1	ZINC001160637148	779813050	/nfs/dbraw/zinc/81/30/50/779813050.db2.gz	RSBPHEORJHTPBJ-ZDUSSCGKSA-N	2	0	322.409	-1.355	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC(N2CCNC(=O)C2)C1	ZINC001160636223	779813079	/nfs/dbraw/zinc/81/30/79/779813079.db2.gz	HXKQJKKMVUAUQI-CYBMUJFWSA-N	2	0	324.429	-2.621	20	0		DAADRP
O=C(N1CC(N2CCNC(=O)C2)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001160637374	779813372	/nfs/dbraw/zinc/81/33/72/779813372.db2.gz	PMMQRTPJIIUHSH-IAQYHMDHSA-N	2	0	307.398	-2.172	20	0		DAADRP
O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC(N2CCNC(=O)C2)C1	ZINC001160637798	779813501	/nfs/dbraw/zinc/81/35/01/779813501.db2.gz	TYOVZGKPRNWZNF-CYBMUJFWSA-N	2	0	321.425	-1.497	20	0		DAADRP
CN1CCN(C2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C2)CC1=O	ZINC001160637245	779813838	/nfs/dbraw/zinc/81/38/38/779813838.db2.gz	SJNLWNKQMUVBNN-GFCCVEGCSA-N	2	0	307.398	-2.220	20	0		DAADRP
[NH3+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)C[C@@H]1F	ZINC001160648426	779814512	/nfs/dbraw/zinc/81/45/12/779814512.db2.gz	CYYYAPFRWKDKNZ-LPEHRKFASA-N	2	0	305.375	-1.339	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCN2C(=O)OC[C@H]2C1	ZINC001160640835	779814896	/nfs/dbraw/zinc/81/48/96/779814896.db2.gz	RESRHXCVWAAJSK-VXGBXAGGSA-N	2	0	311.386	-1.600	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCN2C(=O)CC[C@@H]2C1	ZINC001160647553	779815026	/nfs/dbraw/zinc/81/50/26/779815026.db2.gz	NBBFJWVELFOGED-OLZOCXBDSA-N	2	0	309.414	-1.430	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCO[C@@H](C[NH3+])C1)C(N)=O	ZINC001160643827	779815124	/nfs/dbraw/zinc/81/51/24/779815124.db2.gz	NZONCYJHCPCDSS-LPEHRKFASA-N	2	0	315.374	-2.730	20	0		DAADRP
CS(=O)(=O)NC1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1	ZINC001160658581	779815186	/nfs/dbraw/zinc/81/51/86/779815186.db2.gz	WXFMCWBYJHRFQN-LLVKDONJSA-N	2	0	316.427	-1.379	20	0		DAADRP
C[N@@H+]1C[C@H](C(=O)N2CCO[C@@H](C[NH3+])C2)OC2(CC[NH2+]CC2)C1	ZINC001160643943	779815261	/nfs/dbraw/zinc/81/52/61/779815261.db2.gz	QPSHBJLNJAYGLO-QWHCGFSZSA-N	3	0	312.414	-1.375	20	0		DAADRP
[NH3+]C[C@H]1CN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)CCO1	ZINC001160644182	779815324	/nfs/dbraw/zinc/81/53/24/779815324.db2.gz	WEHGKHQQVLQWJY-QWRGUYRKSA-N	2	0	321.385	-1.890	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1	ZINC001160648433	779815484	/nfs/dbraw/zinc/81/54/84/779815484.db2.gz	DCDIMZNNLVFXSJ-MAUMQABQSA-N	2	0	303.338	-2.409	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@H](C[NH3+])C1	ZINC001160643697	779815611	/nfs/dbraw/zinc/81/56/11/779815611.db2.gz	MRHNJEHTAYTJBL-CIUDSAMLSA-N	2	0	301.347	-3.120	20	0		DAADRP
[NH3+]C[C@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)CCO1	ZINC001160643189	779815686	/nfs/dbraw/zinc/81/56/86/779815686.db2.gz	BXRCFHWHTYRLHN-KBPBESRZSA-N	2	0	320.393	-1.141	20	0		DAADRP
O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC1)CC(=O)NC(=O)C2	ZINC001160716693	779816422	/nfs/dbraw/zinc/81/64/22/779816422.db2.gz	SXZVUKAXRSSKNV-NSHDSACASA-N	2	0	320.393	-1.159	20	0		DAADRP
O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC1)CNC(=O)CO2	ZINC001160771565	779818050	/nfs/dbraw/zinc/81/80/50/779818050.db2.gz	AGBLVFSENSXTAK-LLVKDONJSA-N	2	0	308.382	-1.697	20	0		DAADRP
O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN2C(=O)COC[C@@H]2C1	ZINC001160789728	779818285	/nfs/dbraw/zinc/81/82/85/779818285.db2.gz	FDUNYTFQBBTFTA-QWHCGFSZSA-N	2	0	322.409	-1.070	20	0		DAADRP
O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN2C(=O)COC[C@H]2C1	ZINC001160789727	779818836	/nfs/dbraw/zinc/81/88/36/779818836.db2.gz	FDUNYTFQBBTFTA-OLZOCXBDSA-N	2	0	322.409	-1.070	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@]3(N)CC[NH2+]C3)C[C@H]1C2	ZINC001160794219	779819568	/nfs/dbraw/zinc/81/95/68/779819568.db2.gz	MNJLVGKVTYVGMI-KPNNVRJVSA-N	2	0	322.409	-1.466	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)CN(C)C(N)=[NH2+])C[C@H]1C2	ZINC001160792015	779819861	/nfs/dbraw/zinc/81/98/61/779819861.db2.gz	LKJOWQNGMMMIPO-RSQPEXBXSA-N	2	0	323.397	-1.331	20	0		DAADRP
CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)C[C@H]1C[NH2+]CC2	ZINC001160811983	779820248	/nfs/dbraw/zinc/82/02/48/779820248.db2.gz	CINYVCRTHSWYLM-MCYUEQNJSA-N	2	0	310.398	-1.323	20	0		DAADRP
CCOC(=O)[C@]12CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@H]1C[NH2+]CC2	ZINC001160812858	779820365	/nfs/dbraw/zinc/82/03/65/779820365.db2.gz	UAXXHHNGGWPORK-OXJKWZBOSA-N	2	0	310.398	-1.466	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@H]1C2	ZINC001160792063	779820413	/nfs/dbraw/zinc/82/04/13/779820413.db2.gz	NGWWLNGDTFNHAH-RQXQIDNZSA-N	2	0	323.393	-1.434	20	0		DAADRP
COC(=O)[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCN1C	ZINC001160871255	779821061	/nfs/dbraw/zinc/82/10/61/779821061.db2.gz	STOZVNRUFUEPTO-LALPHHSUSA-N	2	0	310.398	-1.499	20	0		DAADRP
C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001160838802	779821897	/nfs/dbraw/zinc/82/18/97/779821897.db2.gz	MAFWNCOXUHGIQO-KGLIPLIRSA-N	3	0	313.446	-1.474	20	0		DAADRP
COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CCN1C	ZINC001160871272	779822000	/nfs/dbraw/zinc/82/20/00/779822000.db2.gz	TYAOYWCVPYHIQH-VHSXEESVSA-N	2	0	304.416	-1.679	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1	ZINC001160971571	779822880	/nfs/dbraw/zinc/82/28/80/779822880.db2.gz	JHZOQNDHDNKDDT-QWRGUYRKSA-N	2	0	305.373	-1.068	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1	ZINC001160971569	779823256	/nfs/dbraw/zinc/82/32/56/779823256.db2.gz	JHZOQNDHDNKDDT-GHMZBOCLSA-N	2	0	305.373	-1.068	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1	ZINC001160971572	779823546	/nfs/dbraw/zinc/82/35/46/779823546.db2.gz	JHZOQNDHDNKDDT-WDEREUQCSA-N	2	0	305.373	-1.068	20	0		DAADRP
O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CC(O)([C@H]2CCCC[NH2+]2)C1	ZINC001160999593	779824215	/nfs/dbraw/zinc/82/42/15/779824215.db2.gz	IACRXISCKJSTJU-VXGBXAGGSA-N	2	0	310.398	-1.968	20	0		DAADRP
C[N@@H+]1C[C@@H](C(=O)N2CCC[C@H]2C(N)=O)OC2(CC[NH2+]CC2)C1	ZINC001161035170	779824556	/nfs/dbraw/zinc/82/45/56/779824556.db2.gz	UNIGZKPTCYFKCB-RYUDHWBXSA-N	2	0	310.398	-1.085	20	0		DAADRP
O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCN(c2ncc(O)cn2)CC1	ZINC001161082818	779826367	/nfs/dbraw/zinc/82/63/67/779826367.db2.gz	RAOUPUUTQKRMTR-LBPRGKRZSA-N	2	0	318.381	-1.360	20	0		DAADRP
CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1C[NH2+]C[C@H]1OC(C)=O	ZINC001161158628	779828998	/nfs/dbraw/zinc/82/89/98/779828998.db2.gz	ZCHVKPUHZMXROD-NWDGAFQWSA-N	2	0	315.370	-1.122	20	0		DAADRP
CCOC(=O)CN(CCC[NH3+])C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO	ZINC001161158856	779829387	/nfs/dbraw/zinc/82/93/87/779829387.db2.gz	OCYUHIXTDQEQFR-UWVGGRQHSA-N	2	0	318.374	-2.449	20	0		DAADRP
CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1NC(=O)CC12C[NH2+]C2	ZINC001161158584	779829564	/nfs/dbraw/zinc/82/95/64/779829564.db2.gz	YDFCWTRTDWXFJP-LBPRGKRZSA-N	2	0	312.370	-1.795	20	0		DAADRP
CN(C(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2)[C@@H]1[C@H]2C[NH2+]C[C@H]21	ZINC001161218417	779830604	/nfs/dbraw/zinc/83/06/04/779830604.db2.gz	IDTRZCUHBSZXJV-KXNHARMFSA-N	2	0	317.397	-1.400	20	0		DAADRP
COC(=O)[C@H]1CN(C)CCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001161237583	779830670	/nfs/dbraw/zinc/83/06/70/779830670.db2.gz	MWCHLZSDDQWHAO-LALPHHSUSA-N	2	0	310.398	-1.499	20	0		DAADRP
O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCN(c2ncncn2)CC1	ZINC001161247900	779832764	/nfs/dbraw/zinc/83/27/64/779832764.db2.gz	MUGIDHQALOWROD-LLVKDONJSA-N	2	0	303.370	-1.671	20	0		DAADRP
[NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@]34C[NH2+]C[C@H]3CCN4)C2)CC1	ZINC001161377242	779833570	/nfs/dbraw/zinc/83/35/70/779833570.db2.gz	GGQQCAWEKDBMAB-XNRPHZJLSA-N	2	0	307.442	-1.038	20	0		DAADRP
COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])CCN1C(C)=O	ZINC001161295577	779833593	/nfs/dbraw/zinc/83/35/93/779833593.db2.gz	MBQDYFUMSQQRIQ-WDEREUQCSA-N	2	0	300.359	-1.715	20	0		DAADRP
COC(=O)[C@]1(C)COCCN1C(=O)[C@@H]([NH3+])CSCC[NH3+]	ZINC001161371626	779834463	/nfs/dbraw/zinc/83/44/63/779834463.db2.gz	GBYSBBPDZYKQDP-CABZTGNLSA-N	2	0	305.400	-1.204	20	0		DAADRP
[NH3+]C1CCN([C@H]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1	ZINC001161376595	779834503	/nfs/dbraw/zinc/83/45/03/779834503.db2.gz	BOAXPHZADPQARU-KBPBESRZSA-N	2	0	323.441	-1.121	20	0		DAADRP
[NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)C[C@H]12	ZINC001161411825	779836133	/nfs/dbraw/zinc/83/61/33/779836133.db2.gz	BEOXOGCKCAWNSS-NOOOWODRSA-N	2	0	313.423	-1.041	20	0		DAADRP
[NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1	ZINC001161377524	779836252	/nfs/dbraw/zinc/83/62/52/779836252.db2.gz	GUAKPFZZUSYLRP-KGLIPLIRSA-N	2	0	323.441	-1.040	20	0		DAADRP
[NH3+]C1CCN([C@H]2CCN(C(=O)[C@H]3COC4(C[NH2+]C4)CN3)C2)CC1	ZINC001161380876	779836426	/nfs/dbraw/zinc/83/64/26/779836426.db2.gz	WJBFFOSXUOLIMR-UONOGXRCSA-N	2	0	323.441	-1.659	20	0		DAADRP
[NH3+]C1CCN([C@@H]2CCN(C(=O)[C@H]3COC4(C[NH2+]C4)CN3)C2)CC1	ZINC001161380877	779836437	/nfs/dbraw/zinc/83/64/37/779836437.db2.gz	WJBFFOSXUOLIMR-ZIAGYGMSSA-N	2	0	323.441	-1.659	20	0		DAADRP
C[NH+](C)CCN(C(=O)[C@@H]1NC(=O)CC12C[NH2+]C2)[C@H]1CCC[NH2+]C1	ZINC001161447240	779837065	/nfs/dbraw/zinc/83/70/65/779837065.db2.gz	WISPAGLYULRVOK-JSGCOSHPSA-N	3	0	323.441	-1.393	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC2	ZINC001161478363	779838304	/nfs/dbraw/zinc/83/83/04/779838304.db2.gz	MAGZSLVZOBWZQX-OZVIIMIRSA-N	3	0	322.409	-1.451	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@]13C[NH2+]C[C@@H]1CCN3)CC2	ZINC001161478655	779838544	/nfs/dbraw/zinc/83/85/44/779838544.db2.gz	NGXVKZIURXRXAG-SHUKQUCYSA-N	2	0	322.409	-1.309	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC2	ZINC001161478361	779838859	/nfs/dbraw/zinc/83/88/59/779838859.db2.gz	MAGZSLVZOBWZQX-MKBNYLNASA-N	3	0	322.409	-1.451	20	0		DAADRP
COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])COC(C)=O)CC2	ZINC001161476213	779839019	/nfs/dbraw/zinc/83/90/19/779839019.db2.gz	BLVHEDISQXFOOE-MISXGVKJSA-N	2	0	313.354	-1.370	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@@H]1CCN3)CC2	ZINC001161478656	779839068	/nfs/dbraw/zinc/83/90/68/779839068.db2.gz	NGXVKZIURXRXAG-VZAMPYOESA-N	2	0	322.409	-1.309	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1C[NH2+]CCC1=O)CC2	ZINC001161478375	779839291	/nfs/dbraw/zinc/83/92/91/779839291.db2.gz	MCRVJFUMYNINKQ-NVBFEUDRSA-N	2	0	309.366	-1.081	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[NH2+]C[C@H](O)C1)CC2	ZINC001161477777	779839316	/nfs/dbraw/zinc/83/93/16/779839316.db2.gz	JCEQRZIWTWMWNH-YFCNSXCBSA-N	2	0	311.382	-1.290	20	0		DAADRP
C[N@H+](C1CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C1)[C@H]1CCOC1	ZINC001161498661	779839786	/nfs/dbraw/zinc/83/97/86/779839786.db2.gz	KVKJYWOLJRJJPX-CMPLNLGQSA-N	2	0	313.402	-1.306	20	0		DAADRP
CO[C@@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C[C@@H]1[NH3+]	ZINC001161493790	779839867	/nfs/dbraw/zinc/83/98/67/779839867.db2.gz	RPFGFJVIFVVDIW-XSPKLOCKSA-N	2	0	301.347	-3.122	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2COC[C@H](C1)C2=O	ZINC001161491903	779840174	/nfs/dbraw/zinc/84/01/74/779840174.db2.gz	JNHNSCLTAJNOQC-NTZNESFSSA-N	2	0	310.398	-1.589	20	0		DAADRP
CO[C@@H]1CN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C[C@@H]1[NH3+]	ZINC001161493539	779840223	/nfs/dbraw/zinc/84/02/23/779840223.db2.gz	ODVWUDXZKUAHDU-AXTSPUMRSA-N	2	0	315.374	-2.732	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1C[NH2+]CCN1C)CC2	ZINC001161481414	779840815	/nfs/dbraw/zinc/84/08/15/779840815.db2.gz	SLCBXSWADJFTRE-HUBLWGQQSA-N	2	0	310.398	-1.356	20	0		DAADRP
CC(=O)NCSC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C2(COC2)C1	ZINC001161511004	779842737	/nfs/dbraw/zinc/84/27/37/779842737.db2.gz	USRACPSJOMRXKC-VHSXEESVSA-N	2	0	302.400	-1.673	20	0		DAADRP
COC(=O)CC[C@H]1COCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2	ZINC001161564534	779842755	/nfs/dbraw/zinc/84/27/55/779842755.db2.gz	BUNDRXBWXYHGEX-RYUDHWBXSA-N	2	0	311.382	-1.024	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@@H]([NH3+])C2(COC2)C1	ZINC001161510866	779842860	/nfs/dbraw/zinc/84/28/60/779842860.db2.gz	UGMXSXFBXRPEJM-SECBINFHSA-N	2	0	306.388	-2.607	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])c1cnc(O[C@H]2CC[NH2+]C2)nc1	ZINC001162128698	779850656	/nfs/dbraw/zinc/85/06/56/779850656.db2.gz	JDVQBFVURATVRX-JTQLQIEISA-N	2	0	301.372	-1.058	20	0		DAADRP
C[C@@H]1CN(c2ccc(N(CC[NH3+])S(C)(=O)=O)nn2)CC[NH2+]1	ZINC001162124181	779850933	/nfs/dbraw/zinc/85/09/33/779850933.db2.gz	QNAXDKWDLFKWGS-SNVBAGLBSA-N	2	0	314.415	-1.001	20	0		DAADRP
CNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001162872032	779863248	/nfs/dbraw/zinc/86/32/48/779863248.db2.gz	DMICBVFHJPBWTE-MQYJIDSJSA-N	2	0	310.398	-1.309	20	0		DAADRP
C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C(N)=O	ZINC001162872210	779863392	/nfs/dbraw/zinc/86/33/92/779863392.db2.gz	KMUGQIZGOKEUIF-NGWKBDRKSA-N	2	0	310.398	-1.181	20	0		DAADRP
CN(c1nccc(N2CC[NH2+]CC2)n1)S(=O)(=O)CC[NH3+]	ZINC001164287335	779878093	/nfs/dbraw/zinc/87/80/93/779878093.db2.gz	GPYQKESJUBGPJU-UHFFFAOYSA-N	2	0	300.388	-1.389	20	0		DAADRP
CN(c1ccnc(N2CC[NH2+]CC2)n1)S(=O)(=O)CC[NH3+]	ZINC001164287969	779878262	/nfs/dbraw/zinc/87/82/62/779878262.db2.gz	LAUHHHAAKRIOOT-UHFFFAOYSA-N	2	0	300.388	-1.389	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCCNC(=O)CC[NH+](C)C	ZINC001165781183	779887046	/nfs/dbraw/zinc/88/70/46/779887046.db2.gz	KBLJIZLDIGDMMR-UHFFFAOYSA-N	2	0	308.448	-1.027	20	0		DAADRP
C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001166707252	779891533	/nfs/dbraw/zinc/89/15/33/779891533.db2.gz	FBBVFOXUUCGTHM-WDEREUQCSA-N	2	0	310.402	-1.098	20	0		DAADRP
C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001166707248	779891657	/nfs/dbraw/zinc/89/16/57/779891657.db2.gz	FBBVFOXUUCGTHM-GHMZBOCLSA-N	2	0	310.402	-1.098	20	0		DAADRP
CS(=O)(=O)N(c1cncc(N2CC[NH2+]CC2)n1)C1C[NH2+]C1	ZINC001166969802	779895776	/nfs/dbraw/zinc/89/57/76/779895776.db2.gz	XSCOZPKLMXFYEW-UHFFFAOYSA-N	2	0	312.399	-1.376	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001207683988	779922668	/nfs/dbraw/zinc/92/26/68/779922668.db2.gz	JCDPMRNJWCNATF-QWRGUYRKSA-N	2	0	311.386	-1.144	20	0		DAADRP
CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)COCC[NH+](C)C	ZINC001213730853	779983355	/nfs/dbraw/zinc/98/33/55/779983355.db2.gz	ZMOOZPWIJYDBSZ-YNEHKIRRSA-N	2	0	303.403	-1.239	20	0		DAADRP
C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NC(N)=O	ZINC001215458991	780009607	/nfs/dbraw/zinc/00/96/07/780009607.db2.gz	SMPGOERISPPWDY-GMTAPVOTSA-N	2	0	313.402	-1.042	20	0		DAADRP
C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O	ZINC001216750452	780014670	/nfs/dbraw/zinc/01/46/70/780014670.db2.gz	ZRFPFNXHIUWBTE-OUAUKWLOSA-N	2	0	311.386	-1.431	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1[nH]nc2nccnc21	ZINC001218568112	780033370	/nfs/dbraw/zinc/03/33/70/780033370.db2.gz	MPDYWCDIDSKYAJ-SECBINFHSA-N	2	0	304.358	-1.007	20	0		DAADRP
COC(=O)c1cncc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)n1	ZINC001218580070	780034752	/nfs/dbraw/zinc/03/47/52/780034752.db2.gz	SXXQVJPPFAQKJK-JTQLQIEISA-N	2	0	322.369	-1.048	20	0		DAADRP
N=c1c(N)cnc(Cl)n1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001218624955	780037043	/nfs/dbraw/zinc/03/70/43/780037043.db2.gz	QGYRDQJVFONTSP-VIFPVBQESA-N	2	0	313.793	-1.011	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cnn(C2C[NH2+]C2)c1	ZINC001218640212	780037197	/nfs/dbraw/zinc/03/71/97/780037197.db2.gz	GQACAJZRVKSHGH-CYBMUJFWSA-N	3	0	307.402	-1.284	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(C[NH3+])cc1	ZINC001219349520	780082086	/nfs/dbraw/zinc/08/20/86/780082086.db2.gz	MLYLWLKIKFVAKE-KWQFWETISA-N	2	0	307.354	-1.209	20	0		DAADRP
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCC[NH+](C)C	ZINC001219554294	780116571	/nfs/dbraw/zinc/11/65/71/780116571.db2.gz	ZUCCOQJELKWDBK-QWRGUYRKSA-N	2	0	313.402	-1.881	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1	ZINC001219593645	780120435	/nfs/dbraw/zinc/12/04/35/780120435.db2.gz	BQZDBICWKWNDJZ-JTQLQIEISA-N	3	0	304.416	-1.393	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])C(=O)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1	ZINC001219595929	780121762	/nfs/dbraw/zinc/12/17/62/780121762.db2.gz	WNIJSCVSNKTVGV-NWDGAFQWSA-N	2	0	318.443	-1.193	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H](N)CN1CCC([NH3+])CC1	ZINC001219595989	780122444	/nfs/dbraw/zinc/12/24/44/780122444.db2.gz	ZGURWCPTQGEXAK-JTQLQIEISA-N	2	0	307.420	-2.516	20	0		DAADRP
O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1COC2(C[NH2+]C2)CN1	ZINC001219611133	780123939	/nfs/dbraw/zinc/12/39/39/780123939.db2.gz	WHNOXDZWOSSQPA-GZMMTYOYSA-N	2	0	308.304	-1.273	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1	ZINC001219613445	780125557	/nfs/dbraw/zinc/12/55/57/780125557.db2.gz	MFKGJBLFQBNNIP-MHYGZLNHSA-N	2	0	312.292	-1.779	20	0		DAADRP
CN1CC[NH+](CCC(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC1	ZINC001219616396	780125712	/nfs/dbraw/zinc/12/57/12/780125712.db2.gz	ZXTJKAJRXGGSAO-GXTWGEPZSA-N	2	0	302.394	-1.197	20	0		DAADRP
CN(CC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1CCC[NH2+]C1	ZINC001219619383	780126975	/nfs/dbraw/zinc/12/69/75/780126975.db2.gz	GLXIKQGUWSIMRO-MBNYWOFBSA-N	2	0	302.394	-1.151	20	0		DAADRP
O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2	ZINC001219635539	780129294	/nfs/dbraw/zinc/12/92/94/780129294.db2.gz	LBJQSGVRAKVWST-DCAQKATOSA-N	2	0	323.376	-1.260	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@H]1C[NH2+][C@H](C)C1)C(N)=O	ZINC001219685053	780133665	/nfs/dbraw/zinc/13/36/65/780133665.db2.gz	VTQIBNFGAFMESS-LMLFDSFASA-N	2	0	313.402	-1.802	20	0		DAADRP
C[N@@H+]1C[C@H](C(=O)NCCC2(O)C[NH2+]C2)OC2(CC[NH2+]CC2)C1	ZINC001219697604	780135447	/nfs/dbraw/zinc/13/54/47/780135447.db2.gz	VDXWPWPEWUIXBZ-GFCCVEGCSA-N	3	0	312.414	-1.720	20	0		DAADRP
[NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC1(O)C[NH2+]C1	ZINC001219697389	780135627	/nfs/dbraw/zinc/13/56/27/780135627.db2.gz	UNWWYQLSDKVQTJ-ZDUSSCGKSA-N	2	0	320.393	-1.487	20	0		DAADRP
O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2	ZINC001219712729	780135831	/nfs/dbraw/zinc/13/58/31/780135831.db2.gz	UUTAMTQFDKKKCZ-HBNTYKKESA-N	2	0	317.411	-2.150	20	0		DAADRP
O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2	ZINC001219711669	780136275	/nfs/dbraw/zinc/13/62/75/780136275.db2.gz	GHROROSZXCCSCG-OPRDCNLKSA-N	2	0	307.358	-2.627	20	0		DAADRP
[NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H]1C[NH2+]C[C@H]1O	ZINC001219714529	780137118	/nfs/dbraw/zinc/13/71/18/780137118.db2.gz	NSSXBVRQRJABOB-YNEHKIRRSA-N	2	0	306.366	-1.879	20	0		DAADRP
[NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[NH2+]C[C@H]1O	ZINC001219714584	780137324	/nfs/dbraw/zinc/13/73/24/780137324.db2.gz	PIVOCISIIWPTPJ-YNEHKIRRSA-N	2	0	306.366	-1.879	20	0		DAADRP
[NH3+][C@H]1COC[C@H]1NC(=O)[C@H]1Cn2ccnc2C12CC[NH2+]CC2	ZINC001219720642	780137788	/nfs/dbraw/zinc/13/77/88/780137788.db2.gz	OEQBFIGJGMFOFB-GRYCIOLGSA-N	2	0	305.382	-1.024	20	0		DAADRP
O=C(N[C@@H]1C[NH2+]C[C@H]1O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O	ZINC001219713970	780138073	/nfs/dbraw/zinc/13/80/73/780138073.db2.gz	BQBBHRDAFOYXTM-IGQOVBAYSA-N	2	0	316.361	-1.452	20	0		DAADRP
C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2O)COC1(C)C	ZINC001219714825	780138098	/nfs/dbraw/zinc/13/80/98/780138098.db2.gz	ZFXJWJYEBVGIFT-QCLAVDOMSA-N	2	0	300.359	-2.254	20	0		DAADRP
[NH3+][C@H]1COC[C@H]1NC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2	ZINC001219719960	780138128	/nfs/dbraw/zinc/13/81/28/780138128.db2.gz	BIWPOWQMEFZHTH-GARJFASQSA-N	2	0	317.411	-1.757	20	0		DAADRP
CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1	ZINC001219737237	780138822	/nfs/dbraw/zinc/13/88/22/780138822.db2.gz	QZCNEFLANQZWIR-NEPJUHHUSA-N	2	0	312.414	-1.029	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1	ZINC001219737507	780138868	/nfs/dbraw/zinc/13/88/68/780138868.db2.gz	XWCYHINYXLTIFE-JTQLQIEISA-N	2	0	320.415	-2.299	20	0		DAADRP
C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1	ZINC001219736771	780139298	/nfs/dbraw/zinc/13/92/98/780139298.db2.gz	HBBWVEJMWJBIFQ-SRVKXCTJSA-N	2	0	310.398	-1.181	20	0		DAADRP
CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1	ZINC001219736126	780139490	/nfs/dbraw/zinc/13/94/90/780139490.db2.gz	BARDJQTWSMFNIW-RYUDHWBXSA-N	2	0	312.414	-1.029	20	0		DAADRP
[NH3+][C@H]1CCCCN(CC(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)C1=O	ZINC001219737038	780139681	/nfs/dbraw/zinc/13/96/81/780139681.db2.gz	NJMTVJXOXNEABW-RYUDHWBXSA-N	2	0	310.398	-1.179	20	0		DAADRP
O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1C[NH2+][C@@H]2CCO[C@@H]21	ZINC001219748769	780140551	/nfs/dbraw/zinc/14/05/51/780140551.db2.gz	BCUSUIWVEJJFPB-OPQQBVKSSA-N	2	0	306.370	-1.236	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1	ZINC001219739044	780140594	/nfs/dbraw/zinc/14/05/94/780140594.db2.gz	GABSUDSSXCRTKH-QWHCGFSZSA-N	3	0	311.430	-1.769	20	0		DAADRP
NC(=O)NCCC[C@H]([NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2	ZINC001219746239	780141033	/nfs/dbraw/zinc/14/10/33/780141033.db2.gz	GTDBLJSHNCDVHK-VIFPVBQESA-N	2	0	324.389	-1.837	20	0		DAADRP
O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1COC2(C[NH2+]C2)CN1	ZINC001219741798	780141395	/nfs/dbraw/zinc/14/13/95/780141395.db2.gz	UTPWIOZYKPIXSN-OLZOCXBDSA-N	2	0	324.425	-1.266	20	0		DAADRP
CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)NCc1nnc2n1CCC[NH2+]C2	ZINC001219750250	780142380	/nfs/dbraw/zinc/14/23/80/780142380.db2.gz	ZAZRBWMATOBCFK-MNOVXSKESA-N	2	0	322.369	-1.461	20	0		DAADRP
CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)NCc1nnc2n1CCC[NH2+]C2	ZINC001219750251	780142766	/nfs/dbraw/zinc/14/27/66/780142766.db2.gz	ZAZRBWMATOBCFK-QWRGUYRKSA-N	2	0	322.369	-1.461	20	0		DAADRP
O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12	ZINC001219750075	780143159	/nfs/dbraw/zinc/14/31/59/780143159.db2.gz	WPTOFCFBJWSFCR-OUAUKWLOSA-N	2	0	306.370	-1.378	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCc1nnc2n1CCC[NH2+]C2	ZINC001219749157	780143309	/nfs/dbraw/zinc/14/33/09/780143309.db2.gz	IQLIYSFDLOZUMI-IUCAKERBSA-N	2	0	309.374	-1.761	20	0		DAADRP
O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1CCC2(C[NH2+]C2)O1	ZINC001219749151	780143354	/nfs/dbraw/zinc/14/33/54/780143354.db2.gz	ILYPJSIKNXEIBY-JTQLQIEISA-N	2	0	306.370	-1.091	20	0		DAADRP
[NH3+]CCOCCOCC(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1	ZINC001219765157	780144265	/nfs/dbraw/zinc/14/42/65/780144265.db2.gz	WHRPOZRNMFGOFB-OLZOCXBDSA-N	2	0	300.403	-1.612	20	0		DAADRP
CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1	ZINC001219766534	780144348	/nfs/dbraw/zinc/14/43/48/780144348.db2.gz	VWPKCGSLVYJODE-RQJABVFESA-N	2	0	310.398	-1.453	20	0		DAADRP
O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1COC2(C[NH2+]C2)CN1	ZINC001219764684	780144470	/nfs/dbraw/zinc/14/44/70/780144470.db2.gz	JWPRFAZJMKFEIV-AGIUHOORSA-N	2	0	309.414	-2.273	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1	ZINC001219766213	780144546	/nfs/dbraw/zinc/14/45/46/780144546.db2.gz	NYKYWVOTHXJESU-AGIUHOORSA-N	2	0	309.414	-1.736	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)NC1CC2(C1)CC[NH2+]CC2	ZINC001219776151	780146580	/nfs/dbraw/zinc/14/65/80/780146580.db2.gz	WEXSPHGOYSXBFT-UHFFFAOYSA-N	2	0	318.443	-1.145	20	0		DAADRP
O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@@H]1NC(=O)CC12C[NH2+]C2	ZINC001219801108	780148005	/nfs/dbraw/zinc/14/80/05/780148005.db2.gz	SMYPYFJVQNDRFR-JQWIXIFHSA-N	2	0	308.382	-1.651	20	0		DAADRP
NC(=O)NCCC[C@@H]([NH3+])C(=O)NCC[C@@H]1CCOC12C[NH2+]C2	ZINC001219800260	780148132	/nfs/dbraw/zinc/14/81/32/780148132.db2.gz	INLNBFJAKXIOKR-GHMZBOCLSA-N	2	0	313.402	-1.353	20	0		DAADRP
O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@@H]1COC2(C[NH2+]C2)CN1	ZINC001219799994	780148251	/nfs/dbraw/zinc/14/82/51/780148251.db2.gz	FXKKEQJELPCKFI-RYUDHWBXSA-N	2	0	310.398	-1.798	20	0		DAADRP
[NH3+]CCOCCOCC(=O)NCC[C@@H]1CCOC12C[NH2+]C2	ZINC001219800845	780148925	/nfs/dbraw/zinc/14/89/25/780148925.db2.gz	OPHKYWIGZHFGRC-GFCCVEGCSA-N	2	0	301.387	-1.137	20	0		DAADRP
[NH3+]CCC[NH2+]CC(=O)NCc1cc(=O)n2c(n1)CNCCC2	ZINC001219806377	780149970	/nfs/dbraw/zinc/14/99/70/780149970.db2.gz	UEEGTQKPVUVCSE-UHFFFAOYSA-N	2	0	308.386	-1.709	20	0		DAADRP
CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@]12C[NH2+]C[C@H]1COC2	ZINC001219814632	780151450	/nfs/dbraw/zinc/15/14/50/780151450.db2.gz	ISMGDVPLQRVJPF-HUBLWGQQSA-N	2	0	312.414	-1.172	20	0		DAADRP
CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NC[C@]12C[NH2+]C[C@H]1COC2	ZINC001219812493	780152119	/nfs/dbraw/zinc/15/21/19/780152119.db2.gz	CHYOIKHTQRQFGI-HUBLWGQQSA-N	2	0	312.414	-1.172	20	0		DAADRP
O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]CC[C@H]1O	ZINC001219835255	780153495	/nfs/dbraw/zinc/15/34/95/780153495.db2.gz	ZXCGBDFYBAJHOE-BHPKHCPMSA-N	2	0	313.398	-1.532	20	0		DAADRP
O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]C[C@H](O)C1	ZINC001219834708	780153535	/nfs/dbraw/zinc/15/35/35/780153535.db2.gz	SKAXQTVDMNBOHN-BHPKHCPMSA-N	2	0	313.398	-1.532	20	0		DAADRP
[NH3+][C@H]1CCCCN(CC(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)C1=O	ZINC001219831740	780153537	/nfs/dbraw/zinc/15/35/37/780153537.db2.gz	WRRBPXJQXMUJGK-NDBYEHHHSA-N	2	0	310.398	-1.181	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1	ZINC001219831611	780153617	/nfs/dbraw/zinc/15/36/17/780153617.db2.gz	QPSREDDYXGGWLT-GEVSDDDWSA-N	2	0	300.359	-2.696	20	0		DAADRP
O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@]12C[NH2+][C@@H](CO1)C2	ZINC001219833940	780153673	/nfs/dbraw/zinc/15/36/73/780153673.db2.gz	MNQRDGLZVGZJPF-CTHBEMJXSA-N	2	0	311.382	-1.371	20	0		DAADRP
O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]CC[C@@H]1O	ZINC001219835257	780153718	/nfs/dbraw/zinc/15/37/18/780153718.db2.gz	ZXCGBDFYBAJHOE-CXTNEJHOSA-N	2	0	313.398	-1.532	20	0		DAADRP
[NH3+][C@@H](Cn1cccn1)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219834876	780153759	/nfs/dbraw/zinc/15/37/59/780153759.db2.gz	TWASEUZVEXISIN-VNHYZAJKSA-N	2	0	323.397	-1.278	20	0		DAADRP
O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@]12C[NH2+][C@@H](CO1)C2	ZINC001219833941	780153848	/nfs/dbraw/zinc/15/38/48/780153848.db2.gz	MNQRDGLZVGZJPF-MYZSUADSSA-N	2	0	311.382	-1.371	20	0		DAADRP
[NH3+]CCC[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219834740	780153914	/nfs/dbraw/zinc/15/39/14/780153914.db2.gz	SSPZYTGLYORDJE-MBNYWOFBSA-N	3	0	300.403	-1.436	20	0		DAADRP
N[C@]1(C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CCC[NH2+]C1	ZINC001219836671	780154725	/nfs/dbraw/zinc/15/47/25/780154725.db2.gz	BSWLQIZPZBCVFW-VHDGCEQUSA-N	2	0	312.414	-1.421	20	0		DAADRP
O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219838345	780154877	/nfs/dbraw/zinc/15/48/77/780154877.db2.gz	PHHKSQSZBGWZGV-GZBFAFLISA-N	2	0	313.398	-1.124	20	0		DAADRP
C[NH2+][C@H](C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H](C)O	ZINC001219837484	780155018	/nfs/dbraw/zinc/15/50/18/780155018.db2.gz	JXGNGQUKYIBDCJ-NMKXLXIOSA-N	2	0	301.387	-1.534	20	0		DAADRP
NC1(C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)CC[NH2+]CC1	ZINC001219837808	780155105	/nfs/dbraw/zinc/15/51/05/780155105.db2.gz	MBYRCFOFOHRLIS-TZMCWYRMSA-N	2	0	312.414	-1.421	20	0		DAADRP
[NH3+]CCC[NH2+]CC(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219836749	780155201	/nfs/dbraw/zinc/15/52/01/780155201.db2.gz	DPZPMGDKMFZSIG-JSGCOSHPSA-N	3	0	300.403	-1.564	20	0		DAADRP
O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]CCC1=O	ZINC001219839443	780155244	/nfs/dbraw/zinc/15/52/44/780155244.db2.gz	ZVFAZPINFMNYDD-XUJVJEKNSA-N	2	0	311.382	-1.324	20	0		DAADRP
NC1(C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CC[NH2+]CC1	ZINC001219837807	780155417	/nfs/dbraw/zinc/15/54/17/780155417.db2.gz	MBYRCFOFOHRLIS-OCCSQVGLSA-N	2	0	312.414	-1.421	20	0		DAADRP
O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]CCC1=O	ZINC001219839428	780155425	/nfs/dbraw/zinc/15/54/25/780155425.db2.gz	ZVFAZPINFMNYDD-HUBLWGQQSA-N	2	0	311.382	-1.324	20	0		DAADRP
NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21	ZINC001219849910	780156009	/nfs/dbraw/zinc/15/60/09/780156009.db2.gz	JGXOTVINXMLNFB-NNYUYHANSA-N	2	0	313.402	-1.497	20	0		DAADRP
COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1	ZINC001219845796	780156360	/nfs/dbraw/zinc/15/63/60/780156360.db2.gz	SXODHOSFOBTYGD-CRWXNKLISA-N	2	0	317.430	-1.259	20	0		DAADRP
C[N@@H+]1C[C@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)OC2(CC[NH2+]CC2)C1	ZINC001219854657	780157449	/nfs/dbraw/zinc/15/74/49/780157449.db2.gz	OUGDKIDXEPFNGP-XJFOESAGSA-N	3	0	324.425	-1.458	20	0		DAADRP
CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21	ZINC001219852563	780157569	/nfs/dbraw/zinc/15/75/69/780157569.db2.gz	URGHOWXERPEVEG-YHQUGGNUSA-N	2	0	311.382	-1.122	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21	ZINC001219851848	780157605	/nfs/dbraw/zinc/15/76/05/780157605.db2.gz	GVJMJWYVUFPBGQ-ZDEQEGDKSA-N	2	0	310.398	-1.405	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21	ZINC001219851699	780157612	/nfs/dbraw/zinc/15/76/12/780157612.db2.gz	BFAVPYNSOLQQPP-UHFZAUJKSA-N	2	0	314.386	-2.449	20	0		DAADRP
CCn1nnc2c1[C@H](C(=O)N[C@H]1CO[C@@H]3C[NH2+]C[C@H]13)CNC2	ZINC001219854498	780157831	/nfs/dbraw/zinc/15/78/31/780157831.db2.gz	KHFLSNTVJOUVNS-PKZYVASSSA-N	2	0	306.370	-1.412	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21	ZINC001219852767	780157950	/nfs/dbraw/zinc/15/79/50/780157950.db2.gz	ZGDJGWIDAGURHM-FIQHERPVSA-N	3	0	302.444	-1.254	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCCc1c[nH][nH]c1=O	ZINC001219969477	780167346	/nfs/dbraw/zinc/16/73/46/780167346.db2.gz	BIAZAGFQERVWSZ-CMPLNLGQSA-N	2	0	310.402	-1.635	20	0		DAADRP
COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CN1	ZINC001219965565	780167375	/nfs/dbraw/zinc/16/73/75/780167375.db2.gz	RUKZBNMXOURSFZ-UTUOFQBUSA-N	2	0	310.398	-1.120	20	0		DAADRP
CNS(=O)(=O)CCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001219961688	780167459	/nfs/dbraw/zinc/16/74/59/780167459.db2.gz	RRCZDRHSRMFXHT-JTQLQIEISA-N	2	0	307.420	-2.598	20	0		DAADRP
CNS(=O)(=O)CCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001219961689	780168071	/nfs/dbraw/zinc/16/80/71/780168071.db2.gz	RRCZDRHSRMFXHT-SNVBAGLBSA-N	2	0	307.420	-2.598	20	0		DAADRP
COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CN1	ZINC001219967953	780168094	/nfs/dbraw/zinc/16/80/94/780168094.db2.gz	QBPXFBFOHHBKRM-WOPDTQHZSA-N	2	0	313.402	-2.244	20	0		DAADRP
COC(=O)C1(NC(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)CC[NH2+]CC1	ZINC001219999498	780168828	/nfs/dbraw/zinc/16/88/28/780168828.db2.gz	VRHXEMQTEGTNPT-JTQLQIEISA-N	2	0	310.354	-2.124	20	0		DAADRP
COC(=O)C1(NC(=O)C2=NO[C@]3(CC[NH2+]C3)C2)CC[NH2+]CC1	ZINC001219998958	780169060	/nfs/dbraw/zinc/16/90/60/780169060.db2.gz	GSDOESLUWZUGCV-CYBMUJFWSA-N	2	0	310.354	-1.094	20	0		DAADRP
COC(=O)C1(NC(=O)[C@@H]([NH3+])CC[S@@](C)=O)CC[NH2+]CC1	ZINC001220001273	780169259	/nfs/dbraw/zinc/16/92/59/780169259.db2.gz	OJDOEPFVZJZRQJ-GWNMQOMSSA-N	2	0	305.400	-1.506	20	0		DAADRP
COC(=O)C1(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC[NH2+]CC1	ZINC001220001806	780169266	/nfs/dbraw/zinc/16/92/66/780169266.db2.gz	XNUCOAFALHCWHB-IUCAKERBSA-N	2	0	316.358	-2.778	20	0		DAADRP
COC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC[NH2+]CC1	ZINC001219999083	780169305	/nfs/dbraw/zinc/16/93/05/780169305.db2.gz	JUJHJKOHBOQNEK-BXUZGUMPSA-N	3	0	310.398	-1.403	20	0		DAADRP
COC(=O)C1(NC(=O)[C@@H]2C[NH2+]C[C@H]2OC(C)=O)CC[NH2+]CC1	ZINC001220001811	780169460	/nfs/dbraw/zinc/16/94/60/780169460.db2.gz	XPDGJZTXRAGWEQ-GHMZBOCLSA-N	2	0	313.354	-1.451	20	0		DAADRP
COC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC[NH2+]CC1	ZINC001220001369	780169512	/nfs/dbraw/zinc/16/95/12/780169512.db2.gz	QEGWZXCUJMAYLX-JTQLQIEISA-N	2	0	312.370	-1.653	20	0		DAADRP
CCOC(=O)c1nnc(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])o1	ZINC001220011436	780171069	/nfs/dbraw/zinc/17/10/69/780171069.db2.gz	XKBKRTDGPHNXSV-ZETCQYMHSA-N	2	0	317.371	-1.118	20	0		DAADRP
COc1ncnc(OC)c1CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2	ZINC001220045413	780173364	/nfs/dbraw/zinc/17/33/64/780173364.db2.gz	YOTRXZMZCNTRRN-JTQLQIEISA-N	2	0	307.354	-1.081	20	0		DAADRP
CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NC(=N)SCC[NH3+]	ZINC001220106114	780179555	/nfs/dbraw/zinc/17/95/55/780179555.db2.gz	BHTHVIDNBVVDEV-QMMMGPOBSA-N	2	0	319.431	-1.012	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)NC1CC2(C1)CS(=O)(=O)C2	ZINC001220143642	780184938	/nfs/dbraw/zinc/18/49/38/780184938.db2.gz	PRNUOCOUYNKHEI-VIFPVBQESA-N	2	0	307.441	-1.301	20	0		DAADRP
C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC2(C[NH3+])COC2)COC1(C)C	ZINC001220156691	780186210	/nfs/dbraw/zinc/18/62/10/780186210.db2.gz	GVKZBESVBLXYIJ-IUCAKERBSA-N	2	0	300.359	-1.859	20	0		DAADRP
[NH3+]CC1(NC(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)COC1	ZINC001220157017	780186958	/nfs/dbraw/zinc/18/69/58/780186958.db2.gz	UJAYDGXLXCIMLQ-LBPRGKRZSA-N	2	0	306.366	-1.484	20	0		DAADRP
COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1	ZINC001220237327	780193491	/nfs/dbraw/zinc/19/34/91/780193491.db2.gz	SYXKFLYFSKLWHQ-UPJWGTAASA-N	2	0	303.403	-1.503	20	0		DAADRP
COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1	ZINC001220269138	780198461	/nfs/dbraw/zinc/19/84/61/780198461.db2.gz	QHYVLFYDMLJUNH-MCIONIFRSA-N	2	0	315.414	-1.503	20	0		DAADRP
COCCn1cncc1CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001220274506	780198841	/nfs/dbraw/zinc/19/88/41/780198841.db2.gz	FRZQFASSTANXAI-CQSZACIVSA-N	2	0	324.429	-1.104	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCc1ncn2c1C[NH2+]CCC2	ZINC001220312680	780201260	/nfs/dbraw/zinc/20/12/60/780201260.db2.gz	BKQPRBBUCOPUGG-UWVGGRQHSA-N	2	0	324.385	-2.183	20	0		DAADRP
C[N@@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])CC[S@@](C)=O)CC1	ZINC001220306763	780201471	/nfs/dbraw/zinc/20/14/71/780201471.db2.gz	OOKKIZBUNKICPY-FKIZINRSSA-N	2	0	304.460	-1.164	20	0		DAADRP
O=C(NCc1ncn2c1C[NH2+]CCC2)C1=NO[C@@H]2C[NH2+]C[C@H]12	ZINC001220312095	780201675	/nfs/dbraw/zinc/20/16/75/780201675.db2.gz	WOYFCVGHRWQUNI-JOYOIKCWSA-N	2	0	304.354	-1.033	20	0		DAADRP
[NH3+]CC(=O)N1CCC[C@H]1C(=O)NCc1ncn2c1C[NH2+]CCC2	ZINC001220311877	780201693	/nfs/dbraw/zinc/20/16/93/780201693.db2.gz	RNXLOJPHRDEEQH-LBPRGKRZSA-N	2	0	320.397	-1.058	20	0		DAADRP
NC(=O)NCCC[C@H]([NH3+])C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2	ZINC001220315191	780201930	/nfs/dbraw/zinc/20/19/30/780201930.db2.gz	AOAUSPIQEVMWAR-COPLHBTASA-N	2	0	313.402	-1.211	20	0		DAADRP
NC(=O)NCCC[C@@H]([NH3+])C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2	ZINC001220315208	780202100	/nfs/dbraw/zinc/20/21/00/780202100.db2.gz	AOAUSPIQEVMWAR-WDMOLILDSA-N	2	0	313.402	-1.211	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2	ZINC001220319602	780202988	/nfs/dbraw/zinc/20/29/88/780202988.db2.gz	HYJJUFVFYRZPDE-MIJXAVMKSA-N	2	0	314.386	-2.162	20	0		DAADRP
O=C(N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1NC(=O)CC12C[NH2+]C2	ZINC001220315972	780203274	/nfs/dbraw/zinc/20/32/74/780203274.db2.gz	KYXMTDVWOKETEK-GMXABZIVSA-N	2	0	308.382	-1.508	20	0		DAADRP
CCOC(=O)C1(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC[NH+](C)CC1	ZINC001220345974	780204581	/nfs/dbraw/zinc/20/45/81/780204581.db2.gz	VEYAZBPREDHSQK-GFCCVEGCSA-N	3	0	324.425	-1.061	20	0		DAADRP
C[N@@H+]1C[C@@H](C(=O)NC[C@H]2COCC[NH2+]2)OC2(CC[NH2+]CC2)C1	ZINC001220429215	780213403	/nfs/dbraw/zinc/21/34/03/780213403.db2.gz	NMRWDCNUNUDIRH-STQMWFEESA-N	3	0	312.414	-1.456	20	0		DAADRP
O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2	ZINC001220429433	780213800	/nfs/dbraw/zinc/21/38/00/780213800.db2.gz	RMGIQPLFBSFUTM-MNOVXSKESA-N	2	0	321.385	-1.971	20	0		DAADRP
[NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1COCC[NH2+]1	ZINC001220431703	780213981	/nfs/dbraw/zinc/21/39/81/780213981.db2.gz	NIKBJRJPTIWRKI-KBPBESRZSA-N	2	0	320.393	-1.223	20	0		DAADRP
O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1	ZINC001220428835	780214153	/nfs/dbraw/zinc/21/41/53/780214153.db2.gz	FYIMKKAKMUTBBT-AGIUHOORSA-N	2	0	310.398	-1.166	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@H]1COCC[NH2+]1)C(N)=O	ZINC001220431223	780214198	/nfs/dbraw/zinc/21/41/98/780214198.db2.gz	CULTXBTYAGBWHD-LPEHRKFASA-N	2	0	315.374	-2.812	20	0		DAADRP
C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@@H]2COCC[NH2+]2)COC1(C)C	ZINC001220432088	780214438	/nfs/dbraw/zinc/21/44/38/780214438.db2.gz	XRWUTIHNOOSYME-AXFHLTTASA-N	2	0	314.386	-1.598	20	0		DAADRP
[NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NC[C@H]1COCC[NH2+]1	ZINC001220431811	780214760	/nfs/dbraw/zinc/21/47/60/780214760.db2.gz	QNGHLNDSBBEZRO-KBPBESRZSA-N	2	0	320.393	-1.223	20	0		DAADRP
C[N@@H+]1C[C@@H](C(=O)NC[C@@H]2COCC[NH2+]2)OC2(CC[NH2+]CC2)C1	ZINC001220429213	780214960	/nfs/dbraw/zinc/21/49/60/780214960.db2.gz	NMRWDCNUNUDIRH-OLZOCXBDSA-N	3	0	312.414	-1.456	20	0		DAADRP
CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)O1	ZINC001220481223	780217351	/nfs/dbraw/zinc/21/73/51/780217351.db2.gz	AFTRJBDHQWAUCN-FMCLSXCISA-N	3	0	312.414	-1.364	20	0		DAADRP
CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)O1	ZINC001220481585	780217431	/nfs/dbraw/zinc/21/74/31/780217431.db2.gz	KTFPHMANTIBSAE-KMCWBVRRSA-N	2	0	312.414	-1.221	20	0		DAADRP
CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CSCC[NH3+]	ZINC001220479750	780217670	/nfs/dbraw/zinc/21/76/70/780217670.db2.gz	WSGMBZIEIGBFKP-IUCAKERBSA-N	2	0	307.416	-1.176	20	0		DAADRP
CC(=O)OC[C@H]([NH3+])C(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+]	ZINC001220481710	780218291	/nfs/dbraw/zinc/21/82/91/780218291.db2.gz	OHQDWECFHUUDNL-WGBDABJCSA-N	2	0	303.359	-1.282	20	0		DAADRP
CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)O1	ZINC001220481771	780218650	/nfs/dbraw/zinc/21/86/50/780218650.db2.gz	QQPVEZQUTMZVSE-BXCDGJFSSA-N	2	0	312.414	-1.223	20	0		DAADRP
COCCOCCOCCOCCNC(=O)[C@@H]([NH3+])CCC[NH3+]	ZINC001220512406	780219585	/nfs/dbraw/zinc/21/95/85/780219585.db2.gz	OQDXWPCNONIIIR-ZDUSSCGKSA-N	2	0	321.418	-1.135	20	0		DAADRP
COCCOCCOCCOCCNC(=O)[C@H]([NH3+])CCC[NH3+]	ZINC001220512405	780219991	/nfs/dbraw/zinc/21/99/91/780219991.db2.gz	OQDXWPCNONIIIR-CYBMUJFWSA-N	2	0	321.418	-1.135	20	0		DAADRP
[NH3+]CCOCCOCCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001220519089	780221410	/nfs/dbraw/zinc/22/14/10/780221410.db2.gz	AOMJMQPFPKXQNL-CYBMUJFWSA-N	3	0	317.434	-2.155	20	0		DAADRP
[NH3+]CCOCCOCCNC(=O)[C@H]1NC(=O)CC12C[NH2+]C2	ZINC001220519475	780222858	/nfs/dbraw/zinc/22/28/58/780222858.db2.gz	PKDOJALJGZXWBS-LLVKDONJSA-N	2	0	300.359	-2.427	20	0		DAADRP
[NH3+]CCOCCOCCNC(=O)[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1	ZINC001220519661	780223017	/nfs/dbraw/zinc/22/30/17/780223017.db2.gz	WVTBEIAHFFQBME-RWMBFGLXSA-N	2	0	301.387	-1.139	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@]23C[NH2+]C[C@H]2CCN3)CC[NH2+]C1	ZINC001220521970	780223057	/nfs/dbraw/zinc/22/30/57/780223057.db2.gz	WAOMRGDTTIANJL-BMIGLBTASA-N	3	0	308.382	-1.135	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC[NH2+]C1	ZINC001220521923	780223086	/nfs/dbraw/zinc/22/30/86/780223086.db2.gz	UEGUTEAIHNNCQT-LBPRGKRZSA-N	2	0	324.381	-1.757	20	0		DAADRP
CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCCOCCOCC[NH3+]	ZINC001220519529	780223217	/nfs/dbraw/zinc/22/32/17/780223217.db2.gz	QZMBYCJUQWFVPG-ZDUSSCGKSA-N	2	0	318.418	-1.272	20	0		DAADRP
[NH3+]CCOCCOCCNC(=O)[C@@H]([NH3+])C1CCC(O)CC1	ZINC001220519601	780223236	/nfs/dbraw/zinc/22/32/36/780223236.db2.gz	UAJXVYIQUQUOET-BPCQOVAHSA-N	2	0	303.403	-1.027	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCN1CC2(COC2)C1	ZINC001220570833	780228600	/nfs/dbraw/zinc/22/86/00/780228600.db2.gz	AVEQDUWJXCTBTH-ZDUSSCGKSA-N	2	0	311.430	-1.815	20	0		DAADRP
CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1O	ZINC001220578836	780230196	/nfs/dbraw/zinc/23/01/96/780230196.db2.gz	UALNDHPCHUYYHB-UPJWGTAASA-N	2	0	303.403	-1.503	20	0		DAADRP
CCOC(=O)CN(CC[NH3+])C(=O)CN(CC[NH3+])S(C)(=O)=O	ZINC001220583294	780230465	/nfs/dbraw/zinc/23/04/65/780230465.db2.gz	ILUSSJRSQAPCFQ-UHFFFAOYSA-N	2	0	324.403	-2.443	20	0		DAADRP
CCOC(=O)CN(CC[NH3+])C(=O)[C@H]([NH3+])CCCNC(N)=O	ZINC001220583463	780230967	/nfs/dbraw/zinc/23/09/67/780230967.db2.gz	LUTIPAFARZDBGP-SECBINFHSA-N	2	0	303.363	-1.887	20	0		DAADRP
CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@@H]1O	ZINC001220688925	780240777	/nfs/dbraw/zinc/24/07/77/780240777.db2.gz	WEDSTUXYCPFDPI-XQQFMLRXSA-N	2	0	303.403	-1.503	20	0		DAADRP
[NH3+]CCC[C@@H]([NH3+])C(=O)NCCCN1CCS(=O)(=O)CC1	ZINC001220756957	780244858	/nfs/dbraw/zinc/24/48/58/780244858.db2.gz	OZDXPEALPGEJAH-LLVKDONJSA-N	2	0	306.432	-1.711	20	0		DAADRP
COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1	ZINC001220768402	780245713	/nfs/dbraw/zinc/24/57/13/780245713.db2.gz	KAIYTQVZCFMUNN-XQQFMLRXSA-N	2	0	319.402	-2.267	20	0		DAADRP
C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1	ZINC001220768688	780247497	/nfs/dbraw/zinc/24/74/97/780247497.db2.gz	YPGUJMBWXFRHAC-MCIONIFRSA-N	2	0	317.430	-1.113	20	0		DAADRP
C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O	ZINC001220798683	780248745	/nfs/dbraw/zinc/24/87/45/780248745.db2.gz	FNMLZRIEUXRPBL-KGLIPLIRSA-N	2	0	317.430	-1.112	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@H]([NH3+])CCCNC(N)=O)C[NH2+]C1	ZINC001220827672	780250471	/nfs/dbraw/zinc/25/04/71/780250471.db2.gz	XINOGLBUFYUYMU-SECBINFHSA-N	2	0	313.358	-1.701	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@@H](CC)C(N)=O)C[C@@H]1O	ZINC001220831029	780250495	/nfs/dbraw/zinc/25/04/95/780250495.db2.gz	NFJZLNYDJZPHME-WOPDTQHZSA-N	2	0	300.403	-1.247	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NC)C[C@@H]1O	ZINC001220828855	780251167	/nfs/dbraw/zinc/25/11/67/780251167.db2.gz	FTMNRPQTRPUYMR-UTUOFQBUSA-N	2	0	300.403	-1.376	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)COCCOCC[NH3+])C[NH2+]C1	ZINC001220828098	780251214	/nfs/dbraw/zinc/25/12/14/780251214.db2.gz	GQQGRXGQAFDGNI-UHFFFAOYSA-N	2	0	301.343	-1.485	20	0		DAADRP
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NC1(C(=O)OCC)C[NH2+]C1	ZINC001220852883	780252277	/nfs/dbraw/zinc/25/22/77/780252277.db2.gz	BDCLXHIPUWBVIB-NXEZZACHSA-N	2	0	313.354	-1.594	20	0		DAADRP
CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CCCCNC(C)=O)C[NH2+]C1	ZINC001220853340	780253091	/nfs/dbraw/zinc/25/30/91/780253091.db2.gz	WPNNRKSMXSBVBN-NSHDSACASA-N	2	0	314.386	-1.359	20	0		DAADRP
CCOC(=O)C1(NC(=O)[C@H]([NH3+])CCCNC(N)=O)C[NH2+]C1	ZINC001220851062	780253500	/nfs/dbraw/zinc/25/35/00/780253500.db2.gz	GAJRRFUNNZKOKE-MRVPVSSYSA-N	2	0	301.347	-2.217	20	0		DAADRP
[NH3+]CCCC[C@H]([NH3+])C(=O)NCCOCCN1C(=O)C=CC1=O	ZINC001220878548	780256065	/nfs/dbraw/zinc/25/60/65/780256065.db2.gz	HDJFNOSLHSJBFI-NSHDSACASA-N	2	0	312.370	-1.500	20	0		DAADRP
[NH3+][C@H](C(=O)NCCOCCN1C(=O)C=CC1=O)C1CC[NH2+]CC1	ZINC001220878902	780256297	/nfs/dbraw/zinc/25/62/97/780256297.db2.gz	WAIMTBKHUZOQJZ-AWEZNQCLSA-N	2	0	324.381	-1.629	20	0		DAADRP
[NH3+]CCN(CCNC(=O)[C@]12C[NH2+]C[C@@H]1CCN2)N(O)N=O	ZINC001220901069	780256551	/nfs/dbraw/zinc/25/65/51/780256551.db2.gz	SJVUEUUIXXIFCQ-ONGXEEELSA-N	2	0	301.351	-2.398	20	0		DAADRP
O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2	ZINC001220881716	780257078	/nfs/dbraw/zinc/25/70/78/780257078.db2.gz	NVCUCWRVUFSLCT-GHMZBOCLSA-N	2	0	305.386	-1.208	20	0		DAADRP
Cn1cncc1C[C@H]([NH3+])C(=O)NCCN(CC[NH3+])N(O)N=O	ZINC001220901372	780257138	/nfs/dbraw/zinc/25/71/38/780257138.db2.gz	XKIYWAUMRFKCBU-JTQLQIEISA-N	2	0	314.350	-2.046	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)NCCO[C@@H]1CC[NH2+]C1	ZINC001220936177	780260850	/nfs/dbraw/zinc/26/08/50/780260850.db2.gz	DBSUQTCSWVKVEZ-SNVBAGLBSA-N	2	0	308.404	-2.299	20	0		DAADRP
O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2	ZINC001220936131	780261277	/nfs/dbraw/zinc/26/12/77/780261277.db2.gz	CVAUDJLNMTXOCZ-MNOVXSKESA-N	2	0	317.411	-1.742	20	0		DAADRP
CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)n1cc(C[NH3+])cnc1=N	ZINC001220950630	780261903	/nfs/dbraw/zinc/26/19/03/780261903.db2.gz	AMKJNYUFAVDAON-JTQLQIEISA-N	2	0	324.385	-1.280	20	0		DAADRP
CC(=O)NCSC[C@H]([NH3+])C(=O)NCCO[C@H]1CC[NH2+]C1	ZINC001220936878	780262145	/nfs/dbraw/zinc/26/21/45/780262145.db2.gz	JRBLTEDRWFAWHF-QWRGUYRKSA-N	2	0	304.416	-1.365	20	0		DAADRP
O=C(NCCO[C@@H]1CC[NH2+]C1)c1cnc(N2CC[NH2+]CC2)cn1	ZINC001220937759	780262696	/nfs/dbraw/zinc/26/26/96/780262696.db2.gz	ZPLHGEJUUFMEEL-GFCCVEGCSA-N	2	0	320.397	-1.006	20	0		DAADRP
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]C[C@H]2O)CC1	ZINC001221007175	780268654	/nfs/dbraw/zinc/26/86/54/780268654.db2.gz	YQBYSNXNSLEKQK-ZDEQEGDKSA-N	2	0	312.414	-1.328	20	0		DAADRP
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)C[C@H](O)C[NH3+])CC1	ZINC001221007017	780269121	/nfs/dbraw/zinc/26/91/21/780269121.db2.gz	RQYIVRHIEFKUGK-SRVKXCTJSA-N	2	0	300.403	-1.199	20	0		DAADRP
COC(=O)CC[C@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C(N)=O	ZINC001221018475	780270896	/nfs/dbraw/zinc/27/08/96/780270896.db2.gz	DEGLDQSSZMCRQS-ONGXEEELSA-N	2	0	300.359	-1.763	20	0		DAADRP
COCCOc1nccc(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n1	ZINC001221157809	780277667	/nfs/dbraw/zinc/27/76/67/780277667.db2.gz	OHQLVINJHLKDCO-GFCCVEGCSA-N	2	0	321.381	-1.073	20	0		DAADRP
COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1	ZINC001221188346	780281498	/nfs/dbraw/zinc/28/14/98/780281498.db2.gz	SXTQWLQVAQXQHQ-UWVGGRQHSA-N	2	0	300.359	-2.287	20	0		DAADRP
CCOC(=O)C1(C(=O)N[C@@H](CCC[NH3+])C(=O)OC)C[NH2+]C1	ZINC001221188389	780281977	/nfs/dbraw/zinc/28/19/77/780281977.db2.gz	VKFPGDQADNMURY-VIFPVBQESA-N	2	0	301.343	-1.464	20	0		DAADRP
COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])CSCNC(C)=O	ZINC001221187786	780282415	/nfs/dbraw/zinc/28/24/15/780282415.db2.gz	FNWSKEDUMCLOJI-UWVGGRQHSA-N	2	0	320.415	-1.463	20	0		DAADRP
COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@@H]1OC(C)=O	ZINC001221190402	780283559	/nfs/dbraw/zinc/28/35/59/780283559.db2.gz	MDRHAROVWHZQRW-VWYCJHECSA-N	2	0	301.343	-1.466	20	0		DAADRP
CC(=O)OCN1CCC(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1	ZINC001221258376	780285197	/nfs/dbraw/zinc/28/51/97/780285197.db2.gz	GQYPQMNTQYBEHT-ZDUSSCGKSA-N	2	0	310.398	-1.103	20	0		DAADRP
C[C@@]1([NH3+])C[C@H](NC(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C1	ZINC001221239069	780285299	/nfs/dbraw/zinc/28/52/99/780285299.db2.gz	ISLFLLSVLJGLBW-OUJBWJOFSA-N	2	0	305.386	-1.080	20	0		DAADRP
C[N@@H+]1CCC[C@@](C)(NC(=O)CN(CC[NH3+])S(C)(=O)=O)C1	ZINC001221241327	780285380	/nfs/dbraw/zinc/28/53/80/780285380.db2.gz	SOSWOIFYOBEQPV-GFCCVEGCSA-N	2	0	306.432	-1.193	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1Cc2ccccc2C[C@H]1C[NH3+]	ZINC001221334023	780290190	/nfs/dbraw/zinc/29/01/90/780290190.db2.gz	XZWHYWCITMINHI-BPNCWPANSA-N	2	0	320.393	-1.277	20	0		DAADRP
C[NH+]1CCC(CO)(NC(=O)[C@H]([NH3+])CCCNC(N)=O)CC1	ZINC001221402268	780291605	/nfs/dbraw/zinc/29/16/05/780291605.db2.gz	BQGKECLNOIRTEX-SNVBAGLBSA-N	2	0	301.391	-1.665	20	0		DAADRP
CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CCCN1C(=O)C[NH3+]	ZINC001221390334	780292291	/nfs/dbraw/zinc/29/22/91/780292291.db2.gz	QPQIEOSVPPXRQT-NSHDSACASA-N	3	0	312.418	-1.000	20	0		DAADRP
NC(=O)[C@@H]1CN(Cc2cccc(C(=O)NCC[NH3+])c2)CC[NH2+]1	ZINC001235754434	780417966	/nfs/dbraw/zinc/41/79/66/780417966.db2.gz	NDBDPVBPRFBCPE-ZDUSSCGKSA-N	2	0	305.382	-1.366	20	0		DAADRP
COC(=O)c1cnc(CN2CC[NH2+]CCNCC[NH2+]CC2)cn1	ZINC001235871320	780419840	/nfs/dbraw/zinc/41/98/40/780419840.db2.gz	SIJYYFGHRCWZCM-UHFFFAOYSA-N	2	0	322.413	-1.152	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])CC[C@@H]1C[NH2+]CCO1	ZINC001236307372	780420127	/nfs/dbraw/zinc/42/01/27/780420127.db2.gz	BFPAQKUBUGIIDI-CYBMUJFWSA-N	3	0	301.435	-1.519	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cn2c(n1)CNCC2	ZINC001236309150	780420394	/nfs/dbraw/zinc/42/03/94/780420394.db2.gz	KHAYUTMMQSSAOO-UHFFFAOYSA-N	2	0	323.445	-1.398	20	0		DAADRP
N[C@@H]1NC(CN(CCC[NH3+])CC(=O)NCCC[NH3+])=CS1	ZINC001236310463	780420473	/nfs/dbraw/zinc/42/04/73/780420473.db2.gz	ZGHOIQGWLKSMIV-GFCCVEGCSA-N	2	0	302.448	-1.478	20	0		DAADRP
O=C(NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)C12CC[NH+](CC1)C2	ZINC001278178391	780433543	/nfs/dbraw/zinc/43/35/43/780433543.db2.gz	FSBCHLVYMMJIRJ-MNOVXSKESA-N	2	0	324.381	-2.046	20	0		DAADRP
O=C(NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)C12CC[NH+](CC1)C2	ZINC001278178393	780433685	/nfs/dbraw/zinc/43/36/85/780433685.db2.gz	FSBCHLVYMMJIRJ-WDEREUQCSA-N	2	0	324.381	-2.046	20	0		DAADRP
CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)[C@@H]1CC[NH2+]C1	ZINC001238411862	780436416	/nfs/dbraw/zinc/43/64/16/780436416.db2.gz	HGONGJCSYIQRBX-GMTAPVOTSA-N	2	0	305.400	-1.191	20	0		DAADRP
O=S(=O)(NCc1nnn2c1C[NH2+]CCC2)[C@H]1CC[NH2+]C1	ZINC001238247807	780436543	/nfs/dbraw/zinc/43/65/43/780436543.db2.gz	OBBKHQQGKDXYTM-VIFPVBQESA-N	2	0	300.388	-1.447	20	0		DAADRP
O=S(=O)(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1CC[NH2+]C1	ZINC001238328717	780436565	/nfs/dbraw/zinc/43/65/65/780436565.db2.gz	TYRIAKPVFHZCAT-JHJVBQTASA-N	2	0	319.427	-1.337	20	0		DAADRP
CCOC(=O)C[C@@]1(NS(=O)(=O)[C@H]2CC[NH2+]C2)CC[NH2+]C1	ZINC001238220478	780436740	/nfs/dbraw/zinc/43/67/40/780436740.db2.gz	LASOYWHXNLBOGX-JQWIXIFHSA-N	2	0	305.400	-1.047	20	0		DAADRP
COC(=O)[C@H](NS(=O)(=O)C1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1	ZINC001238898260	780439540	/nfs/dbraw/zinc/43/95/40/780439540.db2.gz	PQTCJNQJGFDUHM-MWLCHTKSSA-N	2	0	305.400	-1.191	20	0		DAADRP
CS(=O)(=O)CS(=O)(=O)NCCC[NH2+]CCCC[NH3+]	ZINC001238880171	780439888	/nfs/dbraw/zinc/43/98/88/780439888.db2.gz	XAWSXCHQTJSSOQ-UHFFFAOYSA-N	2	0	301.434	-1.374	20	0		DAADRP
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)C1CC[NH2+]CC1	ZINC001238656755	780439960	/nfs/dbraw/zinc/43/99/60/780439960.db2.gz	JMULSHWTWAONSX-GHMZBOCLSA-N	2	0	305.400	-1.191	20	0		DAADRP
O=S(=O)(CC1CC[NH2+]CC1)N1CCN2CC[NH2+]C[C@@H]2C1	ZINC001239020647	780441196	/nfs/dbraw/zinc/44/11/96/780441196.db2.gz	QXIAUCHTGGVCFU-CYBMUJFWSA-N	2	0	302.444	-1.095	20	0		DAADRP
O=S(=O)(C1CC[NH2+]CC1)N1CCO[C@]2(C1)C[NH2+]CCOC2	ZINC001239024872	780441215	/nfs/dbraw/zinc/44/12/15/780441215.db2.gz	GMHWPXFKCXLBFJ-ZDUSSCGKSA-N	2	0	319.427	-1.241	20	0		DAADRP
O=C1CN(S(=O)(=O)C2CC[NH2+]CC2)CC2(CC[NH2+]CC2)N1	ZINC001239014994	780441220	/nfs/dbraw/zinc/44/12/20/780441220.db2.gz	GIJSUVKPCMMVNO-UHFFFAOYSA-N	2	0	316.427	-1.378	20	0		DAADRP
O=S(=O)(C1CC[NH2+]CC1)N1CCO[C@@]2(C1)C[NH2+]CCOC2	ZINC001239024870	780441332	/nfs/dbraw/zinc/44/13/32/780441332.db2.gz	GMHWPXFKCXLBFJ-CYBMUJFWSA-N	2	0	319.427	-1.241	20	0		DAADRP
O=C1CCC[C@]2(C[NH2+]CCN(S(=O)(=O)[C@@H]3CC[NH2+]C3)C2)N1	ZINC001239045393	780441383	/nfs/dbraw/zinc/44/13/83/780441383.db2.gz	GZXWIDMERUWNGV-DGCLKSJQSA-N	2	0	316.427	-1.378	20	0		DAADRP
O=S(=O)([C@@H]1CC[NH2+]C1)N1CCNCC[NH2+]CCNCC1	ZINC001239095722	780442485	/nfs/dbraw/zinc/44/24/85/780442485.db2.gz	HIEMXEVQFXELTE-GFCCVEGCSA-N	2	0	305.448	-2.238	20	0		DAADRP
COC(=O)[C@H]1C[C@H]([NH3+])CN(S(=O)(=O)C2CC[NH2+]CC2)C1	ZINC001239087316	780442743	/nfs/dbraw/zinc/44/27/43/780442743.db2.gz	LUZZXLJSLQUKIC-UWVGGRQHSA-N	2	0	305.400	-1.110	20	0		DAADRP
COC(=O)[C@]1(N)CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1	ZINC001239129806	780443511	/nfs/dbraw/zinc/44/35/11/780443511.db2.gz	PXSBJGQCPWFTOB-LBPRGKRZSA-N	2	0	305.400	-1.108	20	0		DAADRP
CCOC(=O)CCNC(=O)N1CCNCC[NH2+]CCNCC1	ZINC001239285995	780443660	/nfs/dbraw/zinc/44/36/60/780443660.db2.gz	BJCPTDLATWPWAB-UHFFFAOYSA-N	2	0	315.418	-1.266	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)CC1CC1	ZINC001239130871	780443698	/nfs/dbraw/zinc/44/36/98/780443698.db2.gz	HOEFPJXPJPFAGN-UHFFFAOYSA-N	2	0	306.432	-1.158	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)C1CCC1	ZINC001239130778	780443897	/nfs/dbraw/zinc/44/38/97/780443897.db2.gz	FOKLJRVKFNHDTA-UHFFFAOYSA-N	2	0	306.432	-1.016	20	0		DAADRP
CCOC(=O)CNC(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+]	ZINC001239295638	780444014	/nfs/dbraw/zinc/44/40/14/780444014.db2.gz	LAOPYAUJZIDQIQ-UHFFFAOYSA-N	2	0	317.390	-1.625	20	0		DAADRP
NC(=O)C1CC[NH+](C2CCN(S(=O)(=O)CC[NH3+])CC2)CC1	ZINC001239111417	780444097	/nfs/dbraw/zinc/44/40/97/780444097.db2.gz	OERWARRSQIQFLR-UHFFFAOYSA-N	2	0	318.443	-1.063	20	0		DAADRP
C[NH+](C)CCNC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+]	ZINC001239453944	780444696	/nfs/dbraw/zinc/44/46/96/780444696.db2.gz	ZUEVZTZRBJHMGG-UHFFFAOYSA-N	3	0	318.491	-1.462	20	0		DAADRP
[NH3+][C@@H](Cc1ccccc1)[C@H](O)C[NH2+]CCN1CCNCC1=O	ZINC001246009754	780447773	/nfs/dbraw/zinc/44/77/73/780447773.db2.gz	HDSHNJWSNTVWRT-LSDHHAIUSA-N	2	0	306.410	-1.061	20	0		DAADRP
O[C@H](CNCc1nnc2n1CCC[NH2+]C2)CC1(O)CC[NH2+]CC1	ZINC001245988811	780448122	/nfs/dbraw/zinc/44/81/22/780448122.db2.gz	WSWJPWJJJSLFLR-LBPRGKRZSA-N	2	0	324.429	-1.274	20	0		DAADRP
C[C@@H](CN1CC[NH2+]CC1)[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1	ZINC001245973805	780448215	/nfs/dbraw/zinc/44/82/15/780448215.db2.gz	ICMVTCVGZAFBKX-UONOGXRCSA-N	3	0	300.447	-1.265	20	0		DAADRP
COC(=O)[C@@H](NC[C@@H](O)CC1(O)CC[NH2+]CC1)C(C)(C)[NH3+]	ZINC001245980878	780448225	/nfs/dbraw/zinc/44/82/25/780448225.db2.gz	OVWIMEIUBJHLKA-WDEREUQCSA-N	2	0	303.403	-1.280	20	0		DAADRP
CCOC(=O)[C@@H]1C[NH2+]CCN1C[C@@H](O)CC1(O)CC[NH2+]CC1	ZINC001246031591	780448265	/nfs/dbraw/zinc/44/82/65/780448265.db2.gz	REMOMBQAXNFYBY-STQMWFEESA-N	2	0	315.414	-1.311	20	0		DAADRP
COC(=O)[C@@H]1CNCC[C@@H]1[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1	ZINC001246001969	780448480	/nfs/dbraw/zinc/44/84/80/780448480.db2.gz	JPJCDDHPWSIBHF-XQQFMLRXSA-N	2	0	315.414	-1.407	20	0		DAADRP
COC(=O)C[C@@H]1C[NH2+]CCN1C[C@H](O)CC1(O)CC[NH2+]CC1	ZINC001246047958	780449505	/nfs/dbraw/zinc/44/95/05/780449505.db2.gz	YNYBBTUIEBQKBF-CHWSQXEVSA-N	2	0	315.414	-1.311	20	0		DAADRP
C[N@H+](CCN1CC[NH2+]CC1)C[C@@H](O)CC1(O)CC[NH2+]CC1	ZINC001246048506	780449534	/nfs/dbraw/zinc/44/95/34/780449534.db2.gz	IVLWFJYEVUWUNF-AWEZNQCLSA-N	3	0	300.447	-1.311	20	0		DAADRP
COC(=O)[C@H]1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)CC[C@@H]1[NH3+]	ZINC001246062437	780449801	/nfs/dbraw/zinc/44/98/01/780449801.db2.gz	LGEKADAZXAVRHK-AGIUHOORSA-N	2	0	315.414	-1.326	20	0		DAADRP
COC(=O)[C@@H]1C[C@H]([NH3+])CN1C[C@H](O)CC1(O)CC[NH2+]CC1	ZINC001246067656	780449840	/nfs/dbraw/zinc/44/98/40/780449840.db2.gz	USQAAQOSMGJEHC-TUAOUCFPSA-N	2	0	301.387	-1.574	20	0		DAADRP
COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)CN1	ZINC001246147606	780450578	/nfs/dbraw/zinc/45/05/78/780450578.db2.gz	YUNOGQLLGXGBSG-UKTARXLSSA-N	2	0	313.398	-1.125	20	0		DAADRP
O=C([C@@H]1C[C@H](N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[NH2+]1)N1CCSC1	ZINC001246151201	780450592	/nfs/dbraw/zinc/45/05/92/780450592.db2.gz	ZMWDMUWBOGKVGP-FPYNETTCSA-N	2	0	312.439	-1.174	20	0		DAADRP
COC(=O)[C@H](CC[NH3+])N[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1	ZINC001246155835	780450927	/nfs/dbraw/zinc/45/09/27/780450927.db2.gz	YVLPBKKKFISJIP-DCAQKATOSA-N	2	0	316.427	-1.270	20	0		DAADRP
O=C([C@@H]1C[C@H](NCCN2CC[NH2+]CC2)C[NH2+]1)N1CCSC1	ZINC001246121001	780451469	/nfs/dbraw/zinc/45/14/69/780451469.db2.gz	VCOZCBPHZVMCOE-STQMWFEESA-N	2	0	313.471	-1.255	20	0		DAADRP
CN(CC[NH3+])CCN[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1	ZINC001246284829	780452737	/nfs/dbraw/zinc/45/27/37/780452737.db2.gz	PRMOXUSCNIHQIE-NEPJUHHUSA-N	2	0	301.460	-1.270	20	0		DAADRP
O=C([C@@H]1C[C@H](N[C@@]2(CCO)CC[NH2+]C2)C[NH2+]1)N1CCSC1	ZINC001246295837	780452915	/nfs/dbraw/zinc/45/29/15/780452915.db2.gz	PPNRLGWKELFMSA-SGMGOOAPSA-N	2	0	314.455	-1.046	20	0		DAADRP
O=C([C@@H]1C[C@H](N[C@H]2C[NH2+][C@H](CO)C2)C[NH2+]1)N1CCSC1	ZINC001246211419	780453178	/nfs/dbraw/zinc/45/31/78/780453178.db2.gz	JPPYKLVDOFCOIK-RHYQMDGZSA-N	2	0	300.428	-1.438	20	0		DAADRP
[NH3+]CCOCCOCCOCCOCC[NH2+][C@@H]1CNC(=O)C1	ZINC001246215217	780453277	/nfs/dbraw/zinc/45/32/77/780453277.db2.gz	IXDVQUSDJJNHHR-ZDUSSCGKSA-N	2	0	319.402	-1.510	20	0		DAADRP
O=C([C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C[C@@H]2CO)C[NH2+]1)N1CCSC1	ZINC001246319044	780454325	/nfs/dbraw/zinc/45/43/25/780454325.db2.gz	BWVHFMKHKMSMFX-LPWJVIDDSA-N	2	0	314.455	-1.190	20	0		DAADRP
O=C1NCC[C@]12C[N@@H+]([C@@H]1CCOC3(C[NH2+]C3)C1)CC21C[NH2+]C1	ZINC001246631307	780455017	/nfs/dbraw/zinc/45/50/17/780455017.db2.gz	WEWDYDVWKABRBI-WBMJQRKESA-N	3	0	306.410	-1.081	20	0		DAADRP
O=C([C@@H]1C[C@@H](N2CCOCC23C[NH2+]C3)C[NH2+]1)N1CCSC1	ZINC001246637265	780455057	/nfs/dbraw/zinc/45/50/57/780455057.db2.gz	NANSYQJYMRJCSB-NEPJUHHUSA-N	2	0	312.439	-1.076	20	0		DAADRP
O=C([C@@H]1C[C@@H](N2CCO[C@@H]3C[NH2+]C[C@H]32)C[NH2+]1)N1CCSC1	ZINC001246632095	780455329	/nfs/dbraw/zinc/45/53/29/780455329.db2.gz	WPJHYKLMHITVCG-YVECIDJPSA-N	2	0	312.439	-1.078	20	0		DAADRP
COC(=O)[C@@H]1C[C@H]([N@@H+]2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CCN1	ZINC001246627557	780455681	/nfs/dbraw/zinc/45/56/81/780455681.db2.gz	NAVVWFIBKUZQIK-WQGACYEGSA-N	2	0	322.409	-1.309	20	0		DAADRP
[NH3+][C@@H]1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@H]1O	ZINC001246573928	780455880	/nfs/dbraw/zinc/45/58/80/780455880.db2.gz	ZXEDRLUPFLWYFP-WHOHXGKFSA-N	2	0	300.428	-1.356	20	0		DAADRP
O=C([C@@H]1C[C@H](N2CC[NH2+]C[C@@H](O)C2)C[NH2+]1)N1CCSC1	ZINC001246597265	780455943	/nfs/dbraw/zinc/45/59/43/780455943.db2.gz	FZDFUVSFCAMDLU-TUAOUCFPSA-N	2	0	300.428	-1.484	20	0		DAADRP
[NH3+][C@@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[C@H]1O	ZINC001246569256	780456036	/nfs/dbraw/zinc/45/60/36/780456036.db2.gz	CNQMVJRFPNWNTH-WHOHXGKFSA-N	2	0	300.428	-1.356	20	0		DAADRP
CCOC(=O)C[C@H]1C(=O)NCCN1[C@H]1CCNC2(C[NH2+]C2)C1	ZINC001246773318	780456731	/nfs/dbraw/zinc/45/67/31/780456731.db2.gz	AOUUCWPEPRYYBW-RYUDHWBXSA-N	2	0	310.398	-1.166	20	0		DAADRP
NC(=O)[C@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]1	ZINC001246798202	780456857	/nfs/dbraw/zinc/45/68/57/780456857.db2.gz	SQVFWSDIWZEHCD-OUAUKWLOSA-N	2	0	313.427	-1.991	20	0		DAADRP
O=C([C@@H]1C[C@H](N2C[C@H]3C[NH2+]C[C@@H](C2)O3)C[NH2+]1)N1CCSC1	ZINC001246676344	780456941	/nfs/dbraw/zinc/45/69/41/780456941.db2.gz	DGLFXGLYRVDWJO-RVMXOQNASA-N	2	0	312.439	-1.078	20	0		DAADRP
[NH3+]C[C@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CCO1	ZINC001246823293	780457831	/nfs/dbraw/zinc/45/78/31/780457831.db2.gz	FDZNCQQMJWVWIK-WOPDTQHZSA-N	2	0	300.428	-1.091	20	0		DAADRP
O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1C[C@H]1C[NH2+]CCO1)O3	ZINC001247007035	780458045	/nfs/dbraw/zinc/45/80/45/780458045.db2.gz	AUXCKYIBTRPQAJ-WYUUTHIRSA-N	2	0	303.384	-1.880	20	0		DAADRP
COC(=O)CCS(=O)(=O)CC[C@H](C)N(CC[NH3+])CC[NH3+]	ZINC001246829412	780458216	/nfs/dbraw/zinc/45/82/16/780458216.db2.gz	GDAFGJTUGHHQJN-NSHDSACASA-N	2	0	309.432	-1.038	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])[C@@H]1CSC2(C[NH2+]C2)C1	ZINC001246918966	780458368	/nfs/dbraw/zinc/45/83/68/780458368.db2.gz	ICMKXRNLDBCWPF-LBPRGKRZSA-N	3	0	315.487	-1.050	20	0		DAADRP
[NH3+]C[C@H]1COCCN1[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1	ZINC001246857309	780458383	/nfs/dbraw/zinc/45/83/83/780458383.db2.gz	OTOOLGUOOJASIG-WOPDTQHZSA-N	2	0	300.428	-1.091	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])[C@@H]1CCNC2(C[NH2+]C2)C1	ZINC001246918353	780458487	/nfs/dbraw/zinc/45/84/87/780458487.db2.gz	DXDGMHFPSOBDAA-CYBMUJFWSA-N	3	0	312.462	-1.804	20	0		DAADRP
O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@@H]1C[NH2+]CC[C@@H]1F)O3	ZINC001247007143	780458516	/nfs/dbraw/zinc/45/85/16/780458516.db2.gz	BNGIAVCDENVABY-LVEVGFFFSA-N	2	0	305.375	-1.169	20	0		DAADRP
O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@@H]1COC2(C[NH2+]C2)C1)O3	ZINC001247013759	780459121	/nfs/dbraw/zinc/45/91/21/780459121.db2.gz	XWDKGZNTKZYYDS-NOHGZBONSA-N	2	0	315.395	-1.738	20	0		DAADRP
C[C@@H]1O[C@@H](OCC[NH2+][C@H]2CCC[N@H+](C)CC2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC001254514071	780487930	/nfs/dbraw/zinc/48/79/30/780487930.db2.gz	IYPWQAOHUUSWPK-JRULLXGZSA-N	2	0	318.414	-1.096	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)CC[NH+](C)C	ZINC001278804975	780490365	/nfs/dbraw/zinc/49/03/65/780490365.db2.gz	VKXWRXRUMXHINR-WDEREUQCSA-N	2	0	314.386	-1.848	20	0		DAADRP
C[C@H](CC(=O)N1CCOCC1)[NH2+]CCN(CC[NH3+])N(O)N=O	ZINC001256327174	780509124	/nfs/dbraw/zinc/50/91/24/780509124.db2.gz	AVZXEIJCFFDZQE-LLVKDONJSA-N	2	0	318.378	-1.238	20	0		DAADRP
CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC001258902732	780524047	/nfs/dbraw/zinc/52/40/47/780524047.db2.gz	YXYFMKZXXKMGDW-CMBQYIQPSA-N	2	0	320.430	-1.114	20	0		DAADRP
C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]1	ZINC001261554717	780548477	/nfs/dbraw/zinc/54/84/77/780548477.db2.gz	LILZVROAGFZQMS-MROQNXINSA-N	2	0	310.398	-1.480	20	0		DAADRP
O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC001261554346	780549032	/nfs/dbraw/zinc/54/90/32/780549032.db2.gz	BLWDRCUCTNRZPN-FRRDWIJNSA-N	2	0	310.398	-1.620	20	0		DAADRP
C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCC2C[NH2+]C2)CCO1	ZINC001261633400	780551175	/nfs/dbraw/zinc/55/11/75/780551175.db2.gz	FKVRVLJOEHDLMQ-CYBMUJFWSA-N	2	0	312.414	-1.109	20	0		DAADRP
[NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1	ZINC001262067032	780567101	/nfs/dbraw/zinc/56/71/01/780567101.db2.gz	QIGJNHHILZPIJQ-FDYHWXHSSA-N	2	0	310.398	-1.181	20	0		DAADRP
COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1	ZINC001262490595	780571893	/nfs/dbraw/zinc/57/18/93/780571893.db2.gz	ZTJWBQDUMGIRGF-BFHYXJOUSA-N	2	0	324.425	-1.014	20	0		DAADRP
CC(C)N1C(=O)C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1=O	ZINC001262570640	780575475	/nfs/dbraw/zinc/57/54/75/780575475.db2.gz	AUGMXSVALVBVJB-OLZOCXBDSA-N	2	0	312.414	-1.280	20	0		DAADRP
CC(C)N1C(=O)C[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1=O	ZINC001262570639	780575750	/nfs/dbraw/zinc/57/57/50/780575750.db2.gz	AUGMXSVALVBVJB-CHWSQXEVSA-N	2	0	312.414	-1.280	20	0		DAADRP
CC(C)N1C(=O)C[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1=O	ZINC001262570641	780575758	/nfs/dbraw/zinc/57/57/58/780575758.db2.gz	AUGMXSVALVBVJB-QWHCGFSZSA-N	2	0	312.414	-1.280	20	0		DAADRP
CC[NH+]1CCN(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1	ZINC001262562223	780575852	/nfs/dbraw/zinc/57/58/52/780575852.db2.gz	TXPXJNJNDXKIPO-MRXNPFEDSA-N	3	0	313.490	-1.178	20	0		DAADRP
CN1CCN(C)CCN(C(=O)c2cn(CCC[NH3+])nn2)CC1	ZINC001263245544	780577757	/nfs/dbraw/zinc/57/77/57/780577757.db2.gz	MPJSSZNSUZHMRI-UHFFFAOYSA-N	2	0	309.418	-1.054	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NCCC[NH+](C)CC(=O)NC(N)=O)CC[N@@H+]1C	ZINC001265848911	780609675	/nfs/dbraw/zinc/60/96/75/780609675.db2.gz	SRIXWFMTGNMCMX-GHMZBOCLSA-N	2	0	313.402	-1.040	20	0		DAADRP
NC(=O)C[NH2+]CCN(CCO)C(=O)C12CCC[NH+](CCC1)C2	ZINC001279738213	780626371	/nfs/dbraw/zinc/62/63/71/780626371.db2.gz	RLWAZOISSLNRLO-UHFFFAOYSA-N	2	0	312.414	-1.242	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCCNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001282945805	780724922	/nfs/dbraw/zinc/72/49/22/780724922.db2.gz	CLQALCUVYVHYCY-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O	ZINC001283830867	780782173	/nfs/dbraw/zinc/78/21/73/780782173.db2.gz	HKZFEHJCZAESBL-GHMZBOCLSA-N	2	0	314.386	-1.802	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O	ZINC001283830869	780782687	/nfs/dbraw/zinc/78/26/87/780782687.db2.gz	HKZFEHJCZAESBL-QWRGUYRKSA-N	2	0	314.386	-1.802	20	0		DAADRP
CN(CCOCC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001284877638	780842329	/nfs/dbraw/zinc/84/23/29/780842329.db2.gz	HFJKDYNSQUWVOP-OLZOCXBDSA-N	2	0	312.414	-1.109	20	0		DAADRP
NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC001091150830	781379280	/nfs/dbraw/zinc/37/92/80/781379280.db2.gz	AWXTVWIYMPQGFQ-RRHJKOLHSA-N	2	0	322.409	-1.181	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O	ZINC001171204648	781382338	/nfs/dbraw/zinc/38/23/38/781382338.db2.gz	DSZXJKFVTGACKL-LLVKDONJSA-N	2	0	314.386	-1.534	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCCC[NH2+]CCNS(C)(=O)=O	ZINC001171215389	781383738	/nfs/dbraw/zinc/38/37/38/781383738.db2.gz	BRISRYGVDKZGKB-UHFFFAOYSA-N	2	0	324.447	-1.790	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1	ZINC001171226753	781385761	/nfs/dbraw/zinc/38/57/61/781385761.db2.gz	KMECENKEEPYLDW-GFCCVEGCSA-N	2	0	320.459	-1.027	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)NCC1CC1	ZINC001147842323	781458265	/nfs/dbraw/zinc/45/82/65/781458265.db2.gz	RMVHXPQJNLCISB-UHFFFAOYSA-N	2	0	300.403	-1.203	20	0		DAADRP
COCCCNC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C	ZINC001147848673	781458515	/nfs/dbraw/zinc/45/85/15/781458515.db2.gz	SCCVIYRZXARXKD-UHFFFAOYSA-N	2	0	318.418	-1.577	20	0		DAADRP
CN1CCC[C@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C1=O	ZINC001147848409	781458757	/nfs/dbraw/zinc/45/87/57/781458757.db2.gz	NQIFKSSCYCHFSK-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCC[NH2+]CCNS(C)(=O)=O	ZINC001147893490	781458869	/nfs/dbraw/zinc/45/88/69/781458869.db2.gz	REDOREAVPFUJMP-UHFFFAOYSA-N	2	0	310.420	-2.180	20	0		DAADRP
CN(C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)C1CC1	ZINC001147841821	781459326	/nfs/dbraw/zinc/45/93/26/781459326.db2.gz	JOWBMANWUNKJAD-UHFFFAOYSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)Nc1cnccn1	ZINC001147842367	781459434	/nfs/dbraw/zinc/45/94/34/781459434.db2.gz	UUBFEWYGAFGBOQ-UHFFFAOYSA-N	2	0	324.385	-1.301	20	0		DAADRP
O=C(NCC[NH2+]C[C@H](O)CN1CCCC1=O)C12CC[NH+](CC1)C2	ZINC001147976897	781460763	/nfs/dbraw/zinc/46/07/63/781460763.db2.gz	DKUFGRHTBMGNEB-ZDUSSCGKSA-N	2	0	324.425	-1.229	20	0		DAADRP
C[N@@H+]1CCC[C@@H]2CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C[C@@H]21	ZINC001161081412	781461293	/nfs/dbraw/zinc/46/12/93/781461293.db2.gz	JNFVSAFPXRGXTE-NEPJUHHUSA-N	2	0	318.443	-1.241	20	0		DAADRP
C[N@@H+]1CCC[C@H]2CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C[C@H]21	ZINC001161081413	781461621	/nfs/dbraw/zinc/46/16/21/781461621.db2.gz	JNFVSAFPXRGXTE-NWDGAFQWSA-N	2	0	318.443	-1.241	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C	ZINC001148051752	781462667	/nfs/dbraw/zinc/46/26/67/781462667.db2.gz	SWTFDHLEFVYPIB-UHFFFAOYSA-N	2	0	322.369	-1.077	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCNC(=O)C12CC[NH+](CC1)C2	ZINC001147994829	781463456	/nfs/dbraw/zinc/46/34/56/781463456.db2.gz	QCPNOVVVJFMBNH-UHFFFAOYSA-N	2	0	318.443	-1.273	20	0		DAADRP
C[NH+](C)CCCCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O	ZINC001148364791	781470922	/nfs/dbraw/zinc/47/09/22/781470922.db2.gz	BKMBBNXYRQMUPU-UHFFFAOYSA-N	2	0	313.402	-1.024	20	0		DAADRP
CCC[N@H+](C)CC(=O)NCC[NH2+]CCNS(=O)(=O)CC	ZINC001148643381	781476071	/nfs/dbraw/zinc/47/60/71/781476071.db2.gz	XUOTXXBSWYWYMI-UHFFFAOYSA-N	2	0	308.448	-1.027	20	0		DAADRP
CCC[N@H+](C)CC(=O)NCCC[NH2+]CCNS(C)(=O)=O	ZINC001171762563	781587586	/nfs/dbraw/zinc/58/75/86/781587586.db2.gz	GFQXFGAHTKPHPQ-UHFFFAOYSA-N	2	0	308.448	-1.027	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@]12CC[N@H+](C1)CCC2	ZINC001174776966	781599458	/nfs/dbraw/zinc/59/94/58/781599458.db2.gz	JQWFLVWXPXOSIC-AWEZNQCLSA-N	2	0	311.386	-1.237	20	0		DAADRP
CN(CC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1)S(C)(=O)=O	ZINC001176058097	781613322	/nfs/dbraw/zinc/61/33/22/781613322.db2.gz	UMKUIGVGTCBKGP-LBPRGKRZSA-N	2	0	320.459	-1.075	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@H](C)C(N)=O	ZINC001176162806	781613613	/nfs/dbraw/zinc/61/36/13/781613613.db2.gz	ZYLVMBZMCYVENW-VXGBXAGGSA-N	2	0	300.403	-1.076	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CCNS(C)(=O)=O	ZINC001176975768	781628740	/nfs/dbraw/zinc/62/87/40/781628740.db2.gz	XQGVSJULPORLGT-UHFFFAOYSA-N	2	0	308.448	-1.028	20	0		DAADRP
C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1CCC[N@@H+]1C	ZINC001178356249	781645612	/nfs/dbraw/zinc/64/56/12/781645612.db2.gz	KHQHLDNENFMEIU-GARJFASQSA-N	2	0	311.386	-1.146	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C	ZINC001179481532	781659986	/nfs/dbraw/zinc/65/99/86/781659986.db2.gz	IKUFOUJSQNPFEQ-QWRGUYRKSA-N	2	0	313.402	-1.027	20	0		DAADRP
CNC(=O)C[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C	ZINC001179929593	781664779	/nfs/dbraw/zinc/66/47/79/781664779.db2.gz	QJZNPSBDCXRHNJ-RYUDHWBXSA-N	2	0	300.403	-1.110	20	0		DAADRP
CC(C)[NH+]1CCN(CC(=O)N(CC[NH3+])S(C)(=O)=O)CC1	ZINC001180342389	781669531	/nfs/dbraw/zinc/66/95/31/781669531.db2.gz	SCHCJVPUXSPHHD-UHFFFAOYSA-N	2	0	306.432	-1.241	20	0		DAADRP
NC(=[NH2+])N(CCCC[NH3+])C(=O)CN1CCS(=O)(=O)CC1	ZINC001180597731	781675051	/nfs/dbraw/zinc/67/50/51/781675051.db2.gz	DSYBVDDNWNKMPD-UHFFFAOYSA-N	2	0	305.404	-1.822	20	0		DAADRP
COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001151066741	781693885	/nfs/dbraw/zinc/69/38/85/781693885.db2.gz	YIELYNLLKUUXCL-CHWSQXEVSA-N	2	0	303.403	-1.332	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1	ZINC001151066572	781694577	/nfs/dbraw/zinc/69/45/77/781694577.db2.gz	WMMINEKGYLWNDN-OLZOCXBDSA-N	2	0	312.414	-1.203	20	0		DAADRP
COC[C@@H](O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1	ZINC001151156433	781705375	/nfs/dbraw/zinc/70/53/75/781705375.db2.gz	CKMRKUOKSVDOAK-OLZOCXBDSA-N	2	0	303.403	-1.332	20	0		DAADRP
C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)C1CC1	ZINC001183268810	781723421	/nfs/dbraw/zinc/72/34/21/781723421.db2.gz	YBTFUGPAWIPQHA-ZYHUDNBSSA-N	2	0	311.386	-1.288	20	0		DAADRP
CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](NC(C)=O)[C@@H](C)O	ZINC001183703564	781731544	/nfs/dbraw/zinc/73/15/44/781731544.db2.gz	VYXUIZXIKXFGCY-KOLCDFICSA-N	2	0	301.391	-1.064	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cncc2C)C1	ZINC001184299938	781746792	/nfs/dbraw/zinc/74/67/92/781746792.db2.gz	CCIMQMMVRGUJKN-LLVKDONJSA-N	2	0	322.369	-1.162	20	0		DAADRP
C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O	ZINC001184878077	781754061	/nfs/dbraw/zinc/75/40/61/781754061.db2.gz	ZARRJSQVYOIHSW-HBNTYKKESA-N	2	0	311.386	-1.146	20	0		DAADRP
C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O	ZINC001184878076	781754543	/nfs/dbraw/zinc/75/45/43/781754543.db2.gz	ZARRJSQVYOIHSW-GMTAPVOTSA-N	2	0	311.386	-1.146	20	0		DAADRP
CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C	ZINC001185446913	781760491	/nfs/dbraw/zinc/76/04/91/781760491.db2.gz	UOCMLNOHTOEFOR-ZYHUDNBSSA-N	2	0	313.402	-1.042	20	0		DAADRP
CCOC(=O)N[C@@H](CC(N)=O)C(=O)N(CCCC[NH3+])C(N)=[NH2+]	ZINC001185873623	781766902	/nfs/dbraw/zinc/76/69/02/781766902.db2.gz	VFUOSUUDLIBHDC-QMMMGPOBSA-N	2	0	316.362	-1.563	20	0		DAADRP
C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1	ZINC001187115536	781796004	/nfs/dbraw/zinc/79/60/04/781796004.db2.gz	LDBWLIQNUFZQHP-GFCCVEGCSA-N	2	0	321.443	-1.200	20	0		DAADRP
C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(=O)NC(N)=O	ZINC001187843144	781808277	/nfs/dbraw/zinc/80/82/77/781808277.db2.gz	VHRTXUAECGXEFG-GHMZBOCLSA-N	2	0	311.386	-1.144	20	0		DAADRP
COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1	ZINC001376860920	921739438	/nfs/dbraw/zinc/73/94/38/921739438.db2.gz	JKFVMDLPQUMGFQ-UONOGXRCSA-N	2	0	315.414	-1.094	20	0		DAADRP
COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1	ZINC001376860910	921739276	/nfs/dbraw/zinc/73/92/76/921739276.db2.gz	JKFVMDLPQUMGFQ-KBPBESRZSA-N	2	0	315.414	-1.094	20	0		DAADRP
COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1	ZINC001376875182	921741654	/nfs/dbraw/zinc/74/16/54/921741654.db2.gz	ULNIEPTWEVWYHN-MGPQQGTHSA-N	2	0	315.414	-1.095	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1	ZINC001376875425	921741856	/nfs/dbraw/zinc/74/18/56/921741856.db2.gz	UYIQYDZLKIGSEK-GFCCVEGCSA-N	2	0	312.414	-1.109	20	0		DAADRP
O=S(=O)(C[C@H]1C[NH2+]CCO1)NCCC[NH+]1CCC(O)CC1	ZINC001118933922	916136217	/nfs/dbraw/zinc/13/62/17/916136217.db2.gz	VVPNGOJPYBQEQQ-CYBMUJFWSA-N	2	0	321.443	-1.259	20	0		DAADRP
C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)CC[NH+](C)C	ZINC001316845405	916234907	/nfs/dbraw/zinc/23/49/07/916234907.db2.gz	HVUWDYBZWGAKEN-JTQLQIEISA-N	2	0	301.391	-1.040	20	0		DAADRP
CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001317572408	916328154	/nfs/dbraw/zinc/32/81/54/916328154.db2.gz	FEFPUVPPOHKYBR-CYBMUJFWSA-N	2	0	312.414	-1.013	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C	ZINC001317664659	916342756	/nfs/dbraw/zinc/34/27/56/916342756.db2.gz	MNNNLHYDNLOIMD-UHFFFAOYSA-N	2	0	301.391	-1.170	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O	ZINC001320271654	916490609	/nfs/dbraw/zinc/49/06/09/916490609.db2.gz	UATLTZLXSHFWGX-UWVGGRQHSA-N	2	0	300.359	-2.190	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O)C1	ZINC001321249145	916558790	/nfs/dbraw/zinc/55/87/90/916558790.db2.gz	IZCCMVPMTZSFAP-KXMPLOMGSA-N	2	0	311.386	-1.215	20	0		DAADRP
C[C@@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)C[NH+]1CCCC1	ZINC001322079388	916619369	/nfs/dbraw/zinc/61/93/69/916619369.db2.gz	GHWFZAQPGMJFHE-NSHDSACASA-N	2	0	306.432	-1.274	20	0		DAADRP
CO[C@H](C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CN(C)CCO1	ZINC001325997532	916880024	/nfs/dbraw/zinc/88/00/24/916880024.db2.gz	RUMVLMRRPKQPEA-OLZOCXBDSA-N	2	0	303.403	-1.238	20	0		DAADRP
C[NH+](C)CCNC(=O)Cn1cc(NC(=O)COCC[NH3+])cn1	ZINC001326052900	916888787	/nfs/dbraw/zinc/88/87/87/916888787.db2.gz	VRNWXYYJTACLPM-UHFFFAOYSA-N	2	0	312.374	-1.525	20	0		DAADRP
CNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001326075130	916892475	/nfs/dbraw/zinc/89/24/75/916892475.db2.gz	YFKARHLIQLHYCP-LBPRGKRZSA-N	2	0	300.403	-1.373	20	0		DAADRP
C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H](CO)CN2CCOCC2)CC1	ZINC001326236306	916907641	/nfs/dbraw/zinc/90/76/41/916907641.db2.gz	HDOCJYMPYCANMJ-GJZGRUSLSA-N	2	0	316.446	-2.123	20	0		DAADRP
C[NH+]1CCN(C[C@H](O)C[NH2+][C@H](CO)CN2CCOCC2)CC1	ZINC001326236308	916908100	/nfs/dbraw/zinc/90/81/00/916908100.db2.gz	HDOCJYMPYCANMJ-LSDHHAIUSA-N	2	0	316.446	-2.123	20	0		DAADRP
C[NH+](C)CC[C@H](N)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC001326577260	916930319	/nfs/dbraw/zinc/93/03/19/916930319.db2.gz	JONLDHJSLPZMHW-OLZOCXBDSA-N	2	0	313.446	-1.031	20	0		DAADRP
C[NH+](C)CC[C@@H](N)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC001326577262	916934092	/nfs/dbraw/zinc/93/40/92/916934092.db2.gz	JONLDHJSLPZMHW-QWHCGFSZSA-N	2	0	313.446	-1.031	20	0		DAADRP
O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC001326844130	916960697	/nfs/dbraw/zinc/96/06/97/916960697.db2.gz	FLPMLWOSJWHGRI-RWMBFGLXSA-N	2	0	310.398	-1.478	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@](C)(O)C1	ZINC001326993222	916976748	/nfs/dbraw/zinc/97/67/48/916976748.db2.gz	UHLCXBIZPOTIFR-HNNXBMFYSA-N	2	0	314.430	-1.079	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCCCCC[NH3+]	ZINC001327055839	916986832	/nfs/dbraw/zinc/98/68/32/916986832.db2.gz	OHIPRLMNBHZZGP-CYBMUJFWSA-N	2	0	313.446	-1.016	20	0		DAADRP
OC[C@@H]1C[N@H+](CCCCC[NH+]2C[C@@H](O)[C@H](CO)C2)C[C@@H]1O	ZINC001327067542	916989048	/nfs/dbraw/zinc/98/90/48/916989048.db2.gz	PUKXVDNIKDXBQD-ZQDZILKHSA-N	2	0	302.415	-1.273	20	0		DAADRP
COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cn(CCCC[NH3+])nn1	ZINC001327120250	916993655	/nfs/dbraw/zinc/99/36/55/916993655.db2.gz	DEXGGCFWXCFFRO-LBPRGKRZSA-N	2	0	324.385	-1.006	20	0		DAADRP
C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC001327708555	917036203	/nfs/dbraw/zinc/03/62/03/917036203.db2.gz	YSOXHUJVEAGNCV-MROQNXINSA-N	2	0	310.398	-1.541	20	0		DAADRP
CCN1CCO[C@@H](C(=O)N2CCC(O)(C[NH2+]CCO)CC2)C1	ZINC001328218177	917069941	/nfs/dbraw/zinc/06/99/41/917069941.db2.gz	YVNNDAQASKAEGO-CYBMUJFWSA-N	2	0	315.414	-1.358	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)C(=O)NCC1([NH3+])CCOCC1	ZINC001328986616	917127091	/nfs/dbraw/zinc/12/70/91/917127091.db2.gz	GCWSFCCFRUPFIB-UHFFFAOYSA-N	2	0	316.402	-1.695	20	0		DAADRP
O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC001329114848	917142371	/nfs/dbraw/zinc/14/23/71/917142371.db2.gz	JVMMZIYUYQPWOB-SDDRHHMPSA-N	2	0	312.370	-2.632	20	0		DAADRP
C[C@H](CN1CCOCC1)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1	ZINC001329135381	917144088	/nfs/dbraw/zinc/14/40/88/917144088.db2.gz	RKDAPSURBKHXMU-CABCVRRESA-N	2	0	300.447	-1.095	20	0		DAADRP
CN1C(=O)[C@H]2C[N@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)C[C@H]2C1=O	ZINC001329744335	917197386	/nfs/dbraw/zinc/19/73/86/917197386.db2.gz	XVYOUMJOSCIAEU-UTUOFQBUSA-N	2	0	308.382	-1.270	20	0		DAADRP
COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1	ZINC001331176183	917282282	/nfs/dbraw/zinc/28/22/82/917282282.db2.gz	GHTUGYUOPGDUMU-TXEJJXNPSA-N	2	0	300.403	-1.076	20	0		DAADRP
CCN(CC[NH3+])C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1	ZINC001331738596	917326349	/nfs/dbraw/zinc/32/63/49/917326349.db2.gz	MSRUDZKWVZHEEW-UHFFFAOYSA-N	2	0	313.446	-1.063	20	0		DAADRP
C[NH+](C)CCCC(=O)NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O	ZINC001331774566	917334339	/nfs/dbraw/zinc/33/43/39/917334339.db2.gz	MXAXJHFANFWTPM-QWRGUYRKSA-N	2	0	314.386	-1.800	20	0		DAADRP
C[NH+](C)CCCC(=O)NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O	ZINC001331774564	917335278	/nfs/dbraw/zinc/33/52/78/917335278.db2.gz	MXAXJHFANFWTPM-MNOVXSKESA-N	2	0	314.386	-1.800	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCC[NH+]1CCC(O)CC1	ZINC001332151543	917358808	/nfs/dbraw/zinc/35/88/08/917358808.db2.gz	DNUUGOINPNJEHQ-ZDUSSCGKSA-N	2	0	312.414	-1.182	20	0		DAADRP
CN1CC[NH+](C2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)CC1	ZINC001332315400	917363716	/nfs/dbraw/zinc/36/37/16/917363716.db2.gz	BQGNBTZOESHAQC-ZDUSSCGKSA-N	2	0	323.441	-1.297	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001332603163	917391881	/nfs/dbraw/zinc/39/18/81/917391881.db2.gz	VFUWMBHNOCWXCM-RYUDHWBXSA-N	2	0	321.443	-1.608	20	0		DAADRP
CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCNCC[NH2+]CC1	ZINC001332816053	917411400	/nfs/dbraw/zinc/41/14/00/917411400.db2.gz	OJXFZLQHPRESTQ-UHFFFAOYSA-N	2	0	305.448	-1.590	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1	ZINC001333377633	917437261	/nfs/dbraw/zinc/43/72/61/917437261.db2.gz	HZTVUOLCDUSWBD-HEHGZKQESA-N	2	0	323.441	-1.584	20	0		DAADRP
CCN(C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@H]1CC[NH2+]C1	ZINC001333376969	917437346	/nfs/dbraw/zinc/43/73/46/917437346.db2.gz	FFIOKPLCALTTGC-STQMWFEESA-N	2	0	311.430	-1.441	20	0		DAADRP
C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1	ZINC001333564621	917450347	/nfs/dbraw/zinc/45/03/47/917450347.db2.gz	ATOSJEUJJKLMAZ-SECBINFHSA-N	2	0	322.369	-1.533	20	0		DAADRP
O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO	ZINC001335205563	917530495	/nfs/dbraw/zinc/53/04/95/917530495.db2.gz	VFPOQJIIVOSJQQ-OLZOCXBDSA-N	2	0	310.398	-1.620	20	0		DAADRP
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCOCCC[NH3+])C1	ZINC001335248346	917537055	/nfs/dbraw/zinc/53/70/55/917537055.db2.gz	PFRAERGIWAHNAY-TXEJJXNPSA-N	2	0	300.403	-1.076	20	0		DAADRP
C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC001335255447	917538809	/nfs/dbraw/zinc/53/88/09/917538809.db2.gz	MDZDBWQJVWNWRP-RWMBFGLXSA-N	2	0	312.414	-1.103	20	0		DAADRP
C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC001335255445	917540322	/nfs/dbraw/zinc/54/03/22/917540322.db2.gz	MDZDBWQJVWNWRP-AVGNSLFASA-N	2	0	312.414	-1.103	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2	ZINC001336557445	917591514	/nfs/dbraw/zinc/59/15/14/917591514.db2.gz	RCFJOLZFWYEWIC-FVCCEPFGSA-N	2	0	309.414	-1.643	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1	ZINC001336555993	917592032	/nfs/dbraw/zinc/59/20/32/917592032.db2.gz	KBTFWMJDGDZCAT-BFHYXJOUSA-N	2	0	323.441	-1.584	20	0		DAADRP
C[NH2+]CCNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC001337472183	917621965	/nfs/dbraw/zinc/62/19/65/917621965.db2.gz	VTPRTOHGKZDUJE-UHFFFAOYSA-N	2	0	311.430	-1.440	20	0		DAADRP
[NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1	ZINC001338321956	917677731	/nfs/dbraw/zinc/67/77/31/917677731.db2.gz	MFKNYGFKCVVBDJ-SYQHCUMBSA-N	2	0	324.425	-1.103	20	0		DAADRP
C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC001340926940	917745568	/nfs/dbraw/zinc/74/55/68/917745568.db2.gz	ATQGSGUKLSKQAB-KFWWJZLASA-N	2	0	307.442	-1.119	20	0		DAADRP
COC[C@@]1(C(=O)N2CCN(C)CC[N@H+](C)CC2)C[NH2+]CCO1	ZINC001341395557	917757034	/nfs/dbraw/zinc/75/70/34/917757034.db2.gz	UPPLVRSEKVUWQN-OAHLLOKOSA-N	2	0	314.430	-1.303	20	0		DAADRP
C[NH2+]CCOCCN(C)C(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2	ZINC001341458319	917757508	/nfs/dbraw/zinc/75/75/08/917757508.db2.gz	QGEXKOHRABVHHG-AAEUAGOBSA-N	2	0	319.427	-1.685	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O	ZINC001341685054	917762995	/nfs/dbraw/zinc/76/29/95/917762995.db2.gz	RDNUXKGPCFIBFG-LBPRGKRZSA-N	2	0	300.403	-1.122	20	0		DAADRP
[NH3+]CCN1CCC[C@@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1=O	ZINC001341788095	917767778	/nfs/dbraw/zinc/76/77/78/917767778.db2.gz	OSASAMOPQWDRGG-UONOGXRCSA-N	2	0	323.441	-1.310	20	0		DAADRP
COCCN1CC[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1	ZINC001345605883	917850256	/nfs/dbraw/zinc/85/02/56/917850256.db2.gz	LHUQSLYCRVYZSM-CABCVRRESA-N	2	0	300.447	-1.095	20	0		DAADRP
C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@@H+]1C	ZINC001345911105	917865448	/nfs/dbraw/zinc/86/54/48/917865448.db2.gz	IDBLTGFWDZPHMR-OLZOCXBDSA-N	2	0	311.430	-1.393	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C[NH+](C)C	ZINC001345993373	917868829	/nfs/dbraw/zinc/86/88/29/917868829.db2.gz	HOHKOSGAOWIHGO-SRVKXCTJSA-N	2	0	300.403	-1.077	20	0		DAADRP
C[NH+]1CCN(CCCNC(=O)c2cn(CCC[NH3+])nn2)CC1	ZINC001346104988	917869367	/nfs/dbraw/zinc/86/93/67/917869367.db2.gz	NUJXSTXTAAZWPD-UHFFFAOYSA-N	2	0	309.418	-1.006	20	0		DAADRP
C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+](C)CCOCCO	ZINC001348131934	917929820	/nfs/dbraw/zinc/92/98/20/917929820.db2.gz	MHLCWNSYOYMKIG-ZIAGYGMSSA-N	2	0	314.430	-1.568	20	0		DAADRP
C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1	ZINC001348957468	917983561	/nfs/dbraw/zinc/98/35/61/917983561.db2.gz	GYKKRXVVQDHGCD-JKSUJKDBSA-N	3	0	313.490	-1.180	20	0		DAADRP
CC(C)NS(=O)(=O)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1	ZINC001348958555	917985185	/nfs/dbraw/zinc/98/51/85/917985185.db2.gz	VGGJRVUUEBDEIL-CYBMUJFWSA-N	2	0	322.475	-1.488	20	0		DAADRP
C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC001349863344	918041551	/nfs/dbraw/zinc/04/15/51/918041551.db2.gz	GBRNBSVWGRKLEP-RWMBFGLXSA-N	2	0	310.398	-1.668	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+]	ZINC001350004872	918045730	/nfs/dbraw/zinc/04/57/30/918045730.db2.gz	MEVBEJGUUBDNIS-CHWSQXEVSA-N	2	0	311.430	-1.312	20	0		DAADRP
C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC[N@@H+]1C	ZINC001353121180	918141039	/nfs/dbraw/zinc/14/10/39/918141039.db2.gz	HJKKKPPJVWSUDB-JMSVASOKSA-N	2	0	312.414	-1.103	20	0		DAADRP
C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC[N@@H+]1C	ZINC001353121182	918144022	/nfs/dbraw/zinc/14/40/22/918144022.db2.gz	HJKKKPPJVWSUDB-TYNCELHUSA-N	2	0	312.414	-1.103	20	0		DAADRP
CN1CC[NH+](C2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)CC1	ZINC001353302570	918148972	/nfs/dbraw/zinc/14/89/72/918148972.db2.gz	KSYWVASEEWRCMN-UHFFFAOYSA-N	2	0	309.414	-1.687	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O	ZINC001353750129	918159800	/nfs/dbraw/zinc/15/98/00/918159800.db2.gz	YAVUHVWJSWBGNN-LBPRGKRZSA-N	2	0	300.403	-1.122	20	0		DAADRP
O=C(N1CCNCC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2	ZINC001355016918	918196388	/nfs/dbraw/zinc/19/63/88/918196388.db2.gz	WODKTKFKQWENAW-AAEUAGOBSA-N	2	0	316.427	-2.358	20	0		DAADRP
C[NH+](C)C[C@@H]1CN(C(=O)Cn2nnc(N)n2)C[C@H]1C[NH+](C)C	ZINC001363147749	918704313	/nfs/dbraw/zinc/70/43/13/918704313.db2.gz	CLDVBMCFZMPQNM-GHMZBOCLSA-N	2	0	310.406	-1.547	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C2CC2)C1	ZINC001366075201	919277390	/nfs/dbraw/zinc/27/73/90/919277390.db2.gz	FWLXLCVMFIBBSP-GHMZBOCLSA-N	2	0	311.386	-1.383	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001366339133	919313929	/nfs/dbraw/zinc/31/39/29/919313929.db2.gz	BZDGEORLTAADNR-MNOVXSKESA-N	2	0	313.402	-1.122	20	0		DAADRP
C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C	ZINC001366379264	919320487	/nfs/dbraw/zinc/32/04/87/919320487.db2.gz	NHDJLTHCMHOWPQ-OUAUKWLOSA-N	2	0	311.386	-1.288	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1	ZINC001366397056	919324292	/nfs/dbraw/zinc/32/42/92/919324292.db2.gz	GOQLGTWXRXFYEW-STQMWFEESA-N	2	0	312.414	-1.109	20	0		DAADRP
C[NH+](C)CCCC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1	ZINC001366408360	919328121	/nfs/dbraw/zinc/32/81/21/919328121.db2.gz	XPTANFQUSLXFFO-LLVKDONJSA-N	2	0	313.402	-1.039	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[NH+]1CCCC1	ZINC001366774081	919377656	/nfs/dbraw/zinc/37/76/56/919377656.db2.gz	JJWVCQVTCGIUPV-LLVKDONJSA-N	2	0	313.402	-1.026	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001366765109	919378072	/nfs/dbraw/zinc/37/80/72/919378072.db2.gz	RXZOFUMQVGYLFX-GHMZBOCLSA-N	2	0	313.402	-1.027	20	0		DAADRP
CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(=O)NC	ZINC001367140968	919439593	/nfs/dbraw/zinc/43/95/93/919439593.db2.gz	OAXMSAUCYTXNAQ-QWRGUYRKSA-N	2	0	313.402	-1.122	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001367371679	919461979	/nfs/dbraw/zinc/46/19/79/919461979.db2.gz	CXSVAGVYCIUSKM-WDEREUQCSA-N	2	0	313.402	-1.027	20	0		DAADRP
CC(C)[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnnn1C)[NH+](C)C	ZINC001367588899	919502817	/nfs/dbraw/zinc/50/28/17/919502817.db2.gz	MJWRAZZBGHZPTA-OLZOCXBDSA-N	2	0	312.418	-1.032	20	0		DAADRP
COC[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001367614369	919528689	/nfs/dbraw/zinc/52/86/89/919528689.db2.gz	AFCXLCYQBSQRKU-VXGBXAGGSA-N	2	0	301.387	-1.844	20	0		DAADRP
Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001367625466	919538986	/nfs/dbraw/zinc/53/89/86/919538986.db2.gz	QRZUZVNRIAOFII-DGCLKSJQSA-N	2	0	310.402	-1.276	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O	ZINC001367626942	919539960	/nfs/dbraw/zinc/53/99/60/919539960.db2.gz	XRBCFEHEACKUFF-RYUDHWBXSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O	ZINC001367626940	919540139	/nfs/dbraw/zinc/54/01/39/919540139.db2.gz	XRBCFEHEACKUFF-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1)[NH+](C)C	ZINC001367626034	919541898	/nfs/dbraw/zinc/54/18/98/919541898.db2.gz	UALSGDIZRCUTNX-NEPJUHHUSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[C@@H](C[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)CC[NH+](C)C	ZINC001367752699	919566302	/nfs/dbraw/zinc/56/63/02/919566302.db2.gz	JTZMNRRWOJOWRD-NSHDSACASA-N	2	0	313.402	-2.009	20	0		DAADRP
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1	ZINC001368012679	919603875	/nfs/dbraw/zinc/60/38/75/919603875.db2.gz	JSIHPGFZGBSILM-SNVBAGLBSA-N	2	0	311.386	-1.096	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(CCO)CC[NH2+][C@@H]1CCN(C)C1=O	ZINC001368415395	919717138	/nfs/dbraw/zinc/71/71/38/919717138.db2.gz	UITOLZZHDCIDTF-CYBMUJFWSA-N	2	0	314.430	-1.032	20	0		DAADRP
COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001368502808	919732704	/nfs/dbraw/zinc/73/27/04/919732704.db2.gz	FUJOEAPPLYJGRZ-STQMWFEESA-N	2	0	303.403	-1.238	20	0		DAADRP
CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NC)C1)[NH+](C)C	ZINC001368513581	919735231	/nfs/dbraw/zinc/73/52/31/919735231.db2.gz	NFWUZZIQKKVGBT-NWDGAFQWSA-N	2	0	300.403	-1.110	20	0		DAADRP
C[C@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1	ZINC001369147641	919823322	/nfs/dbraw/zinc/82/33/22/919823322.db2.gz	BUFNOUQZZQNSKJ-RYUDHWBXSA-N	2	0	310.398	-1.227	20	0		DAADRP
C[N@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1)C1CCC1	ZINC001369326270	919859740	/nfs/dbraw/zinc/85/97/40/919859740.db2.gz	TXPOYHUKCDEFEM-LBPRGKRZSA-N	2	0	312.414	-1.230	20	0		DAADRP
O=C(C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N1CCC1	ZINC001369330701	919863077	/nfs/dbraw/zinc/86/30/77/919863077.db2.gz	XWANETHCAWKWRO-ZIAGYGMSSA-N	2	0	324.425	-1.373	20	0		DAADRP
CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001369330747	919866244	/nfs/dbraw/zinc/86/62/44/919866244.db2.gz	XXCKTBVRNUXVRE-IJLUTSLNSA-N	2	0	300.403	-1.471	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1	ZINC001369346676	919886552	/nfs/dbraw/zinc/88/65/52/919886552.db2.gz	JPINFNFSVYIOOL-OLZOCXBDSA-N	2	0	314.430	-1.079	20	0		DAADRP
CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1	ZINC001369360503	919894847	/nfs/dbraw/zinc/89/48/47/919894847.db2.gz	IALPYPOYZCLNMX-HZMBPMFUSA-N	2	0	318.393	-1.249	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@@H](C)C(=O)N(C)C	ZINC001369370771	919907546	/nfs/dbraw/zinc/90/75/46/919907546.db2.gz	FIJCZCZESPBWAU-NWDGAFQWSA-N	2	0	302.419	-1.130	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)CCC[NH+](C)C	ZINC001369483791	919955681	/nfs/dbraw/zinc/95/56/81/919955681.db2.gz	MGYKXMNFKDDXCN-NEPJUHHUSA-N	2	0	300.403	-1.374	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)C[NH+]1CCCC1	ZINC001369489216	919962399	/nfs/dbraw/zinc/96/23/99/919962399.db2.gz	YZLLSDZGIHAVCD-CYBMUJFWSA-N	2	0	312.414	-1.230	20	0		DAADRP
C[NH+](C)CCCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001370709689	920136443	/nfs/dbraw/zinc/13/64/43/920136443.db2.gz	VKDKDNLULHUWPL-CHWSQXEVSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)C12CC[NH+](CC1)C2	ZINC001370753050	920157741	/nfs/dbraw/zinc/15/77/41/920157741.db2.gz	CIBSNPOLMSXBQT-CHWSQXEVSA-N	2	0	324.425	-1.230	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)C12CC[NH+](CC1)C2	ZINC001370784842	920174349	/nfs/dbraw/zinc/17/43/49/920174349.db2.gz	DWQMOBJGGFYSLS-LBPRGKRZSA-N	2	0	312.414	-1.373	20	0		DAADRP
CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001371435058	920251293	/nfs/dbraw/zinc/25/12/93/920251293.db2.gz	WVOFXOLNMVTTIF-ONGXEEELSA-N	2	0	301.391	-1.138	20	0		DAADRP
CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001371435051	920251656	/nfs/dbraw/zinc/25/16/56/920251656.db2.gz	WVOFXOLNMVTTIF-GXSJLCMTSA-N	2	0	301.391	-1.138	20	0		DAADRP
C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCOCC1	ZINC001371473836	920266913	/nfs/dbraw/zinc/26/69/13/920266913.db2.gz	OMDDTNYLSMCCLW-STQMWFEESA-N	2	0	312.414	-1.109	20	0		DAADRP
CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)[NH+](C)C	ZINC001371472273	920267120	/nfs/dbraw/zinc/26/71/20/920267120.db2.gz	SFFAVAVHZGKUSB-FRRDWIJNSA-N	2	0	314.430	-1.034	20	0		DAADRP
C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O	ZINC001371543043	920283895	/nfs/dbraw/zinc/28/38/95/920283895.db2.gz	ODCRMLXHYXBYMM-OLZOCXBDSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[C@@H]([NH2+]CCN(C)C(=O)CCC[NH+](C)C)C(=O)NC(N)=O	ZINC001372948939	920438782	/nfs/dbraw/zinc/43/87/82/920438782.db2.gz	RMTRNWSDCCCENN-SNVBAGLBSA-N	2	0	301.391	-1.040	20	0		DAADRP
C[C@H]([NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)NC(N)=O	ZINC001372943699	920439091	/nfs/dbraw/zinc/43/90/91/920439091.db2.gz	HFCUEQNUCXHGEI-JTQLQIEISA-N	2	0	313.402	-1.040	20	0		DAADRP
C[C@H]([NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)NC(N)=O	ZINC001372953585	920441053	/nfs/dbraw/zinc/44/10/53/920441053.db2.gz	YXGSORVSCZPLFT-JTQLQIEISA-N	2	0	313.402	-1.040	20	0		DAADRP
C[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)CC1	ZINC001374641077	920669069	/nfs/dbraw/zinc/66/90/69/920669069.db2.gz	ILYWYRZPOQNWGX-ZDUSSCGKSA-N	2	0	312.414	-1.327	20	0		DAADRP
C[NH+]1CCC(OCC(=O)NC[C@@H](O)C[NH2+]CC(N)=O)CC1	ZINC001374654323	920675496	/nfs/dbraw/zinc/67/54/96/920675496.db2.gz	AEGFMFCNWOSAAR-JTQLQIEISA-N	2	0	302.375	-2.351	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O	ZINC001374674940	920687899	/nfs/dbraw/zinc/68/78/99/920687899.db2.gz	SOAGWDVFCSRURD-NWDGAFQWSA-N	2	0	300.403	-1.327	20	0		DAADRP
CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC	ZINC001374686093	920693827	/nfs/dbraw/zinc/69/38/27/920693827.db2.gz	SBPUFPRMWTWNLB-RYUDHWBXSA-N	2	0	300.403	-1.327	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CC1	ZINC001375250783	920760111	/nfs/dbraw/zinc/76/01/11/920760111.db2.gz	HCFHALVECQSJPY-LLVKDONJSA-N	2	0	313.402	-1.122	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C	ZINC001375765820	920805949	/nfs/dbraw/zinc/80/59/49/920805949.db2.gz	SDNHLBVWBHHNFA-LLVKDONJSA-N	2	0	313.402	-1.026	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1	ZINC001375768833	920808401	/nfs/dbraw/zinc/80/84/01/920808401.db2.gz	LXMWURXCBGVZMW-LLVKDONJSA-N	2	0	311.386	-1.142	20	0		DAADRP
CCN1CCO[C@@H](C(=O)N[C@@]2(CO)CCC[N@H+](CCO)C2)C1	ZINC001376505643	920960213	/nfs/dbraw/zinc/96/02/13/920960213.db2.gz	WZTNVDQVTOVQTA-HIFRSBDPSA-N	2	0	315.414	-1.358	20	0		DAADRP
CCN1CCO[C@@H](C(=O)N[C@]2(CO)CCC[N@H+](CCO)C2)C1	ZINC001376505646	920961281	/nfs/dbraw/zinc/96/12/81/920961281.db2.gz	WZTNVDQVTOVQTA-UKRRQHHQSA-N	2	0	315.414	-1.358	20	0		DAADRP
CC[C@H](C(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O)[NH+](C)C	ZINC001376544527	920974748	/nfs/dbraw/zinc/97/47/48/920974748.db2.gz	FUIWEQTYILWSAW-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
NC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001377471685	921824199	/nfs/dbraw/zinc/82/41/99/921824199.db2.gz	WJGSHDRZZPXEDU-LLVKDONJSA-N	2	0	323.397	-1.285	20	0		DAADRP
CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(N)=O	ZINC001377592193	921841987	/nfs/dbraw/zinc/84/19/87/921841987.db2.gz	UCGYHRLLDSXHBE-SNVBAGLBSA-N	2	0	301.391	-1.040	20	0		DAADRP
C[N@H+](CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)C1CCC1	ZINC001379206503	922070777	/nfs/dbraw/zinc/07/07/77/922070777.db2.gz	ODECZFPZFBALPQ-QWHCGFSZSA-N	2	0	312.414	-1.184	20	0		DAADRP
C[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1)C1CCC1	ZINC001379208863	922074808	/nfs/dbraw/zinc/07/48/08/922074808.db2.gz	UAOISUYWBZMKIJ-ZDUSSCGKSA-N	2	0	312.414	-1.230	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1	ZINC001379208303	922074943	/nfs/dbraw/zinc/07/49/43/922074943.db2.gz	SFAPJPITFKEJOU-GHMZBOCLSA-N	2	0	300.403	-1.328	20	0		DAADRP
C[C@H]([NH2+]C[C@H](O)CNC(=O)C[N@H+](C)CC(C)(C)C)C(N)=O	ZINC001379241043	922092589	/nfs/dbraw/zinc/09/25/89/922092589.db2.gz	JPBWEGQIDMNYFT-QWRGUYRKSA-N	2	0	302.419	-1.095	20	0		DAADRP
C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)COC1CC[NH+](C)CC1	ZINC001379258764	922103380	/nfs/dbraw/zinc/10/33/80/922103380.db2.gz	MOHCYDJGTSSKCN-NEPJUHHUSA-N	2	0	303.403	-1.455	20	0		DAADRP
C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)COC1CC[NH+](C)CC1	ZINC001379258774	922103931	/nfs/dbraw/zinc/10/39/31/922103931.db2.gz	MOHCYDJGTSSKCN-RYUDHWBXSA-N	2	0	303.403	-1.455	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001379258936	922104089	/nfs/dbraw/zinc/10/40/89/922104089.db2.gz	NHBUDPULMZLTDF-NWDGAFQWSA-N	2	0	300.403	-1.469	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1	ZINC001379295809	922118903	/nfs/dbraw/zinc/11/89/03/922118903.db2.gz	SMQWWLPUHYXINT-GXTWGEPZSA-N	2	0	314.430	-1.081	20	0		DAADRP
C[N@H+](CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O)C1CCC1	ZINC001379410089	922162684	/nfs/dbraw/zinc/16/26/84/922162684.db2.gz	KADCQCFNQSCIJG-WCQYABFASA-N	2	0	312.414	-1.184	20	0		DAADRP
C[NH+](C)C1(C(=O)NC[C@H](CO)[NH2+]CCn2cncn2)CCC1	ZINC001379413977	922164778	/nfs/dbraw/zinc/16/47/78/922164778.db2.gz	SXVICGZGXLTHGW-GFCCVEGCSA-N	2	0	310.402	-1.171	20	0		DAADRP
CC(C)[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001379426873	922168847	/nfs/dbraw/zinc/16/88/47/922168847.db2.gz	OJUZYDQJSVLBTD-ONGXEEELSA-N	2	0	317.390	-2.166	20	0		DAADRP
O=C(NC[C@H](CO)[NH2+][C@H]1CCCNC1=O)C12CCC[NH+]1CCC2	ZINC001379433620	922175287	/nfs/dbraw/zinc/17/52/87/922175287.db2.gz	LCAQJEBGCSBLJM-OLZOCXBDSA-N	2	0	324.425	-1.040	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)C1	ZINC001379473864	922192971	/nfs/dbraw/zinc/19/29/71/922192971.db2.gz	COYHCVCNWJUPRL-OLZOCXBDSA-N	2	0	310.402	-1.313	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)C1	ZINC001379503896	922206699	/nfs/dbraw/zinc/20/66/99/922206699.db2.gz	JHOIVVJGNMQACZ-STQMWFEESA-N	2	0	310.402	-1.313	20	0		DAADRP
COC[C@H](O)C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2	ZINC001379505626	922207095	/nfs/dbraw/zinc/20/70/95/922207095.db2.gz	OMXFXDCGJSOMBB-VXGBXAGGSA-N	2	0	301.387	-1.844	20	0		DAADRP
CC(C)[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CC(N)=O)CC1	ZINC001379510864	922209595	/nfs/dbraw/zinc/20/95/95/922209595.db2.gz	ZUMRMPKFBMBJQZ-GFCCVEGCSA-N	2	0	300.403	-1.341	20	0		DAADRP
C[C@@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1)C(=O)NC1CC1	ZINC001379528302	922216151	/nfs/dbraw/zinc/21/61/51/922216151.db2.gz	PAGIAKQOXGSOON-DGCLKSJQSA-N	2	0	312.414	-1.184	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C	ZINC001379551290	922225946	/nfs/dbraw/zinc/22/59/46/922225946.db2.gz	MQMWSLPLKQEDIQ-VHSXEESVSA-N	2	0	301.391	-1.124	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C	ZINC001379549674	922226615	/nfs/dbraw/zinc/22/66/15/922226615.db2.gz	IKUFOUJSQNPFEQ-GHMZBOCLSA-N	2	0	313.402	-1.027	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)[C@@H]1CCC[N@@H+]1C	ZINC001379761695	922253527	/nfs/dbraw/zinc/25/35/27/922253527.db2.gz	RWKJHOIZHVDWCT-OLZOCXBDSA-N	2	0	312.414	-1.232	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001379838030	922275780	/nfs/dbraw/zinc/27/57/80/922275780.db2.gz	VYWLPRLERCKSBU-CHWSQXEVSA-N	2	0	314.430	-1.127	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001379838056	922276569	/nfs/dbraw/zinc/27/65/69/922276569.db2.gz	VYWLPRLERCKSBU-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1	ZINC001379867691	922282554	/nfs/dbraw/zinc/28/25/54/922282554.db2.gz	HXXMFSJAWGWFCJ-CHWSQXEVSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)NC(N)=O)C2CC2)C1	ZINC001379943414	922302287	/nfs/dbraw/zinc/30/22/87/922302287.db2.gz	YDUGYFJYHLLWGW-MNOVXSKESA-N	2	0	311.386	-1.383	20	0		DAADRP
CC[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001380566113	922391955	/nfs/dbraw/zinc/39/19/55/922391955.db2.gz	PGMIITBIRSYSOL-WBMJQRKESA-N	2	0	324.425	-1.101	20	0		DAADRP
C[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O	ZINC001380763385	922452148	/nfs/dbraw/zinc/45/21/48/922452148.db2.gz	IIIRSISDGDLRQD-YPMHNXCESA-N	2	0	312.414	-1.388	20	0		DAADRP
CNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1	ZINC001381055877	922492821	/nfs/dbraw/zinc/49/28/21/922492821.db2.gz	PQAFOUSSDKCWEZ-DOMZBBRYSA-N	2	0	312.414	-1.373	20	0		DAADRP
CNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1	ZINC001381055889	922494805	/nfs/dbraw/zinc/49/48/05/922494805.db2.gz	PQAFOUSSDKCWEZ-WFASDCNBSA-N	2	0	312.414	-1.373	20	0		DAADRP
CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC)CC[N@@H+]1C	ZINC001382209961	922619188	/nfs/dbraw/zinc/61/91/88/922619188.db2.gz	MUZQIECEOPPCOP-SDDRHHMPSA-N	2	0	300.403	-1.471	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C1CCC1	ZINC001382216236	922625188	/nfs/dbraw/zinc/62/51/88/922625188.db2.gz	RMTSXGSRSUKQJA-MNOVXSKESA-N	2	0	300.403	-1.328	20	0		DAADRP
CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1)[NH+](C)C	ZINC001382218916	922625209	/nfs/dbraw/zinc/62/52/09/922625209.db2.gz	UXJBVHUSHSRRIF-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[C@@H]([NH2+][C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C	ZINC001382232373	922632263	/nfs/dbraw/zinc/63/22/63/922632263.db2.gz	CGVPGAOADYIYJY-VXGBXAGGSA-N	2	0	314.430	-1.128	20	0		DAADRP
C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C)CC[N@@H+]1C	ZINC001382236718	922635688	/nfs/dbraw/zinc/63/56/88/922635688.db2.gz	OZUODOKQIRIRFJ-AVGNSLFASA-N	2	0	314.430	-1.128	20	0		DAADRP
CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C(C)C)CC1	ZINC001382266818	922651457	/nfs/dbraw/zinc/65/14/57/922651457.db2.gz	VETOXWKTPVJVPW-CYBMUJFWSA-N	2	0	314.430	-1.081	20	0		DAADRP
O=C(NC[C@H](CO)[NH2+][C@H]1CCCNC1=O)C12CC[NH+](CC1)C2	ZINC001382268237	922652726	/nfs/dbraw/zinc/65/27/26/922652726.db2.gz	UFFBIKHUNCWIFM-NEPJUHHUSA-N	2	0	310.398	-1.573	20	0		DAADRP
CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001382266703	922653565	/nfs/dbraw/zinc/65/35/65/922653565.db2.gz	MGOODYQIENMHPF-CHWSQXEVSA-N	2	0	314.430	-1.127	20	0		DAADRP
CCN(CC)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001382270809	922655970	/nfs/dbraw/zinc/65/59/70/922655970.db2.gz	DRPYYXARJKLTQM-CHWSQXEVSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC2CC2)C1	ZINC001382275823	922662007	/nfs/dbraw/zinc/66/20/07/922662007.db2.gz	UGDKXPXKXUPEBX-CHWSQXEVSA-N	2	0	312.414	-1.469	20	0		DAADRP
C[C@@H]([NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O	ZINC001382277190	922663302	/nfs/dbraw/zinc/66/33/02/922663302.db2.gz	ZYCNVHHREXZXJJ-ZJUUUORDSA-N	2	0	315.374	-2.268	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001382385008	922710114	/nfs/dbraw/zinc/71/01/14/922710114.db2.gz	GTISNVZWMRWLRQ-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C	ZINC001382385009	922711506	/nfs/dbraw/zinc/71/15/06/922711506.db2.gz	GTISNVZWMRWLRQ-RYUDHWBXSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001382433668	922748528	/nfs/dbraw/zinc/74/85/28/922748528.db2.gz	LKBKFFOTESUWTO-ZJUUUORDSA-N	2	0	317.390	-2.070	20	0		DAADRP
CC[NH+](CC)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001382438089	922751592	/nfs/dbraw/zinc/75/15/92/922751592.db2.gz	DDCFSJNRWPFRHK-OLZOCXBDSA-N	2	0	314.430	-1.127	20	0		DAADRP
CC[NH+](CC)CC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001382438091	922751716	/nfs/dbraw/zinc/75/17/16/922751716.db2.gz	DDCFSJNRWPFRHK-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
CN(C[C@H](O)C[NH2+]Cc1cnnn1C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001382444902	922758437	/nfs/dbraw/zinc/75/84/37/922758437.db2.gz	POGFGDJYENUZOE-DGCLKSJQSA-N	2	0	310.402	-1.324	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1	ZINC001382590032	922818677	/nfs/dbraw/zinc/81/86/77/922818677.db2.gz	YNSSBFVPHSGBSO-UHFFFAOYSA-N	2	0	313.402	-1.027	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)NC(=O)CC[NH+](C)C)C1	ZINC001382633239	922826275	/nfs/dbraw/zinc/82/62/75/922826275.db2.gz	UJTYYALZMSUBIF-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001383901153	922965945	/nfs/dbraw/zinc/96/59/45/922965945.db2.gz	YWXOGDHJGWTJPE-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[NH+](C)C1	ZINC001383923146	922975489	/nfs/dbraw/zinc/97/54/89/922975489.db2.gz	CYXSRMOEKCMFHF-OLZOCXBDSA-N	2	0	314.430	-1.128	20	0		DAADRP
CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O)[NH+](C)C	ZINC001384266060	923084052	/nfs/dbraw/zinc/08/40/52/923084052.db2.gz	VGJGIYLXKCCYNL-AGIUHOORSA-N	2	0	314.430	-1.034	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1O	ZINC001384798038	923118666	/nfs/dbraw/zinc/11/86/66/923118666.db2.gz	HRPCQUUHFNUECN-OLZOCXBDSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001389122745	923563662	/nfs/dbraw/zinc/56/36/62/923563662.db2.gz	KFNCKAFJPNCUGY-GFCCVEGCSA-N	2	0	312.414	-1.373	20	0		DAADRP
C[NH+](C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CCC1	ZINC001389962505	923701823	/nfs/dbraw/zinc/70/18/23/923701823.db2.gz	USLWHSOPKQNQNL-AOOOYVTPSA-N	2	0	311.386	-1.098	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1	ZINC001389970099	923704304	/nfs/dbraw/zinc/70/43/04/923704304.db2.gz	ZRGXSAWZDFBFID-OUAUKWLOSA-N	2	0	311.386	-1.227	20	0		DAADRP
C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(=O)NC(N)=O	ZINC001390016417	923710937	/nfs/dbraw/zinc/71/09/37/923710937.db2.gz	SMFQVLQMXYKJMH-ZRUFSTJUSA-N	2	0	311.386	-1.242	20	0		DAADRP
C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C(=O)NC(N)=O	ZINC001390016383	923711581	/nfs/dbraw/zinc/71/15/81/923711581.db2.gz	SMFQVLQMXYKJMH-XWLWVQCSSA-N	2	0	311.386	-1.242	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2	ZINC001390506100	923751097	/nfs/dbraw/zinc/75/10/97/923751097.db2.gz	ICLUKWPLHMIZNQ-SNVBAGLBSA-N	2	0	311.386	-1.368	20	0		DAADRP
C[NH+](C)CCCC(=O)NC[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1	ZINC001391092956	923804356	/nfs/dbraw/zinc/80/43/56/923804356.db2.gz	OEYAFIFYHHQBLQ-LLVKDONJSA-N	2	0	313.402	-1.039	20	0		DAADRP
C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1	ZINC001391092959	923804487	/nfs/dbraw/zinc/80/44/87/923804487.db2.gz	OEYAFIFYHHQBLQ-NSHDSACASA-N	2	0	313.402	-1.039	20	0		DAADRP
C[C@H]([NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)NC(N)=O	ZINC001391226588	923818604	/nfs/dbraw/zinc/81/86/04/923818604.db2.gz	JBFPFTDNFFWSMT-JTQLQIEISA-N	2	0	311.386	-1.286	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O	ZINC001391221378	923819032	/nfs/dbraw/zinc/81/90/32/923819032.db2.gz	PXPRQMPHUHLTHP-CHWSQXEVSA-N	2	0	312.414	-1.109	20	0		DAADRP
C[C@@H]([NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)NC(N)=O	ZINC001391226596	923820796	/nfs/dbraw/zinc/82/07/96/923820796.db2.gz	JBFPFTDNFFWSMT-SNVBAGLBSA-N	2	0	311.386	-1.286	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NCC2CN(CCNS(C)(=O)=O)C2)C1	ZINC001391515232	923850390	/nfs/dbraw/zinc/85/03/90/923850390.db2.gz	NNDGELFZROLGRJ-LBPRGKRZSA-N	2	0	318.443	-1.465	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001392149749	923945092	/nfs/dbraw/zinc/94/50/92/923945092.db2.gz	ZHKOOHGJQZANLR-OLZOCXBDSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1	ZINC001392389792	924001992	/nfs/dbraw/zinc/00/19/92/924001992.db2.gz	OZIIKRYTVAUBJB-STQMWFEESA-N	2	0	312.414	-1.230	20	0		DAADRP
CC(C)(C(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O)[NH+]1CCCC1	ZINC001392392852	924007037	/nfs/dbraw/zinc/00/70/37/924007037.db2.gz	PWRMNLWUJAQCDW-NEPJUHHUSA-N	2	0	312.414	-1.184	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001392403332	924013680	/nfs/dbraw/zinc/01/36/80/924013680.db2.gz	UXUWSAWCIXWQHD-OLZOCXBDSA-N	2	0	314.430	-1.127	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCC(C)CC1	ZINC001392413350	924018994	/nfs/dbraw/zinc/01/89/94/924018994.db2.gz	RPNUFKRRARDEBJ-OLZOCXBDSA-N	2	0	314.430	-1.081	20	0		DAADRP
C[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)[NH+]1CCCCCC1	ZINC001392414097	924019393	/nfs/dbraw/zinc/01/93/93/924019393.db2.gz	VQDRPTVJMYUIQB-NWDGAFQWSA-N	2	0	300.403	-1.197	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)C1	ZINC001392420494	924024229	/nfs/dbraw/zinc/02/42/29/924024229.db2.gz	HIMAYLYJOKGLHO-VHSXEESVSA-N	2	0	315.374	-2.410	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)C1	ZINC001392420483	924024472	/nfs/dbraw/zinc/02/44/72/924024472.db2.gz	HIMAYLYJOKGLHO-NXEZZACHSA-N	2	0	315.374	-2.410	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001392427017	924028581	/nfs/dbraw/zinc/02/85/81/924028581.db2.gz	SLRLKXQNPOQSJZ-STQMWFEESA-N	2	0	314.430	-1.081	20	0		DAADRP
C[C@H]([NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)N(C)C	ZINC001392431470	924029578	/nfs/dbraw/zinc/02/95/78/924029578.db2.gz	WPLUOXGITZSXNR-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[C@H]([NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)N(C)C	ZINC001392431475	924030817	/nfs/dbraw/zinc/03/08/17/924030817.db2.gz	WPLUOXGITZSXNR-RYUDHWBXSA-N	2	0	300.403	-1.374	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)CCC[NH+](C)C	ZINC001392507989	924041252	/nfs/dbraw/zinc/04/12/52/924041252.db2.gz	WBGUWHFYXRDJEP-SNVBAGLBSA-N	2	0	301.391	-1.122	20	0		DAADRP
C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)C12CC[NH+](CC1)C2	ZINC001392522709	924044172	/nfs/dbraw/zinc/04/41/72/924044172.db2.gz	CKWSTGICPJYZNM-ZJUUUORDSA-N	2	0	311.386	-1.240	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@]1(O)CC[N@@H+]([C@@H]2CCCNC2=O)C1	ZINC001393272504	924144124	/nfs/dbraw/zinc/14/41/24/924144124.db2.gz	CZQIMJFFFOCLPO-CZUORRHYSA-N	2	0	324.425	-1.086	20	0		DAADRP
C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1	ZINC001393278184	924147262	/nfs/dbraw/zinc/14/72/62/924147262.db2.gz	RDXUFEOONIOPPU-DOMZBBRYSA-N	2	0	314.430	-1.032	20	0		DAADRP
COC[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1	ZINC001393275194	924148740	/nfs/dbraw/zinc/14/87/40/924148740.db2.gz	MDMFQYHTLCSPEO-OCCSQVGLSA-N	2	0	303.403	-1.502	20	0		DAADRP
COC[C@H](O)C[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1	ZINC001393457119	924210000	/nfs/dbraw/zinc/21/00/00/924210000.db2.gz	VJQOLCROEYIUGJ-HIFRSBDPSA-N	2	0	317.430	-1.112	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C	ZINC001393469720	924213550	/nfs/dbraw/zinc/21/35/50/924213550.db2.gz	ZPAWESRNMUBPNA-RYUDHWBXSA-N	2	0	300.403	-1.374	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CCO1	ZINC001393582260	924229641	/nfs/dbraw/zinc/22/96/41/924229641.db2.gz	FGRGAMUKSWALMR-QWHCGFSZSA-N	2	0	312.414	-1.109	20	0		DAADRP
C[NH+](C)CC1(C(=O)N2CCC[C@@](CO)([NH2+]CC(N)=O)C2)CC1	ZINC001393691881	924247085	/nfs/dbraw/zinc/24/70/85/924247085.db2.gz	KQGSLHPBKBSJBM-OAHLLOKOSA-N	2	0	312.414	-1.243	20	0		DAADRP
CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001394533796	924306803	/nfs/dbraw/zinc/30/68/03/924306803.db2.gz	BEFGFPHBMZGRDC-NXEZZACHSA-N	2	0	301.391	-1.042	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1	ZINC001394607818	924335435	/nfs/dbraw/zinc/33/54/35/924335435.db2.gz	PBUAUJUBGYOJAL-WDEREUQCSA-N	2	0	300.403	-1.328	20	0		DAADRP
CN1CCC[C@H]([NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)C1=O	ZINC001394624333	924344408	/nfs/dbraw/zinc/34/44/08/924344408.db2.gz	WLDOFPOIOBXGGK-NEPJUHHUSA-N	2	0	300.403	-1.374	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1	ZINC001394633797	924346993	/nfs/dbraw/zinc/34/69/93/924346993.db2.gz	SNMICDBHUWZTRI-WCQYABFASA-N	2	0	314.430	-1.081	20	0		DAADRP
CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1)[NH+](C)C	ZINC001394655248	924357554	/nfs/dbraw/zinc/35/75/54/924357554.db2.gz	UXJBVHUSHSRRIF-RYUDHWBXSA-N	2	0	300.403	-1.374	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C	ZINC001394755427	924377850	/nfs/dbraw/zinc/37/78/50/924377850.db2.gz	CTFAYAFWXSIXKU-WCQYABFASA-N	2	0	302.419	-1.273	20	0		DAADRP
CN(C[C@@H](O)C[N@H+](C)[C@@H]1CCNC1=O)C(=O)C[NH+]1CCCC1	ZINC001394796421	924393741	/nfs/dbraw/zinc/39/37/41/924393741.db2.gz	ZADBKDSNLHRSAL-QWHCGFSZSA-N	2	0	312.414	-1.278	20	0		DAADRP
CN(C[C@@H](O)C[N@H+](C)[C@H]1CCNC1=O)C(=O)C[NH+]1CCCC1	ZINC001394796422	924393859	/nfs/dbraw/zinc/39/38/59/924393859.db2.gz	ZADBKDSNLHRSAL-STQMWFEESA-N	2	0	312.414	-1.278	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1	ZINC001396440964	924528537	/nfs/dbraw/zinc/52/85/37/924528537.db2.gz	XRVAUZNCXUWFSD-OLZOCXBDSA-N	2	0	314.430	-1.034	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001397100507	924556888	/nfs/dbraw/zinc/55/68/88/924556888.db2.gz	RVNFXEPHJYNCET-GARJFASQSA-N	2	0	311.386	-1.383	20	0		DAADRP
Cn1cc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]CC(N)=O)cn1	ZINC001397721815	924595969	/nfs/dbraw/zinc/59/59/69/924595969.db2.gz	CJBNFMMAJIRHDX-QWHCGFSZSA-N	2	0	322.413	-1.259	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001399829787	924739643	/nfs/dbraw/zinc/73/96/43/924739643.db2.gz	IHEQTUCHOZIHEY-STQMWFEESA-N	2	0	324.425	-1.373	20	0		DAADRP
CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)NC(=O)NC	ZINC001400868206	924834395	/nfs/dbraw/zinc/83/43/95/924834395.db2.gz	XIBHNOPGPQYWKL-JTQLQIEISA-N	2	0	301.391	-1.122	20	0		DAADRP
C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)NC(N)=O	ZINC001401108587	924842354	/nfs/dbraw/zinc/84/23/54/924842354.db2.gz	RDLWPNCQBBTPNX-HBNTYKKESA-N	2	0	313.402	-1.137	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001401123082	924844131	/nfs/dbraw/zinc/84/41/31/924844131.db2.gz	IYOCKWOHJHLXGG-WDEREUQCSA-N	2	0	313.402	-1.122	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001401536776	924877881	/nfs/dbraw/zinc/87/78/81/924877881.db2.gz	IZOVHRAKZJYOGG-NWDGAFQWSA-N	2	0	300.403	-1.327	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C	ZINC001401541176	924880781	/nfs/dbraw/zinc/88/07/81/924880781.db2.gz	NXOLKQCTNXWTQM-VXGBXAGGSA-N	2	0	300.403	-1.327	20	0		DAADRP
C[NH+](C)Cc1ccsc1C(=O)NC[C@H](O)C[NH2+]CC(N)=O	ZINC001401546840	924881297	/nfs/dbraw/zinc/88/12/97/924881297.db2.gz	UVWJLJWVSYZIRO-SNVBAGLBSA-N	2	0	314.411	-1.025	20	0		DAADRP
CN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)C2CC[NH+](C)CC2)C1=O	ZINC001401556187	924887848	/nfs/dbraw/zinc/88/78/48/924887848.db2.gz	NTXAQKAJUQUKHR-STQMWFEESA-N	2	0	312.414	-1.374	20	0		DAADRP
C[NH+](C)C1(C(=O)NC[C@H](O)C[NH2+][C@@H]2CCCNC2=O)CCC1	ZINC001401556867	924888350	/nfs/dbraw/zinc/88/83/50/924888350.db2.gz	QRJRWLWLFXNHBV-VXGBXAGGSA-N	2	0	312.414	-1.184	20	0		DAADRP
C[NH+](C)CC1(C(=O)NC[C@@H](O)C[NH2+][C@@H]2CCCNC2=O)CC1	ZINC001401559595	924889824	/nfs/dbraw/zinc/88/98/24/924889824.db2.gz	DBKIPZRQSQGDOT-NWDGAFQWSA-N	2	0	312.414	-1.327	20	0		DAADRP
C[NH+](C)CC1(C(=O)NC[C@@H](O)C[NH2+][C@H]2CCCNC2=O)CC1	ZINC001401559600	924890608	/nfs/dbraw/zinc/89/06/08/924890608.db2.gz	DBKIPZRQSQGDOT-RYUDHWBXSA-N	2	0	312.414	-1.327	20	0		DAADRP
CC(C)[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)[NH+](C)C	ZINC001401563496	924892026	/nfs/dbraw/zinc/89/20/26/924892026.db2.gz	IIZNOMZOSXNCDI-YPMHNXCESA-N	2	0	302.419	-1.273	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001401562062	924892521	/nfs/dbraw/zinc/89/25/21/924892521.db2.gz	TZWZQGIFXUHRIG-STQMWFEESA-N	2	0	314.430	-1.081	20	0		DAADRP
CC(C)[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)[NH+](C)C	ZINC001401563492	924892838	/nfs/dbraw/zinc/89/28/38/924892838.db2.gz	IIZNOMZOSXNCDI-WCQYABFASA-N	2	0	302.419	-1.273	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)C1	ZINC001401581490	924900681	/nfs/dbraw/zinc/90/06/81/924900681.db2.gz	KZPDWQYWHJTDBR-DGCLKSJQSA-N	2	0	312.414	-1.327	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)C1	ZINC001401581499	924901383	/nfs/dbraw/zinc/90/13/83/924901383.db2.gz	KZPDWQYWHJTDBR-YPMHNXCESA-N	2	0	312.414	-1.327	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O	ZINC001401591926	924904316	/nfs/dbraw/zinc/90/43/16/924904316.db2.gz	VXMVXSLCHYUBHU-NEPJUHHUSA-N	2	0	300.403	-1.328	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1	ZINC001401857337	924925614	/nfs/dbraw/zinc/92/56/14/924925614.db2.gz	AZWCCBFFRQZQKV-NSHDSACASA-N	2	0	323.397	-1.239	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)CC[NH+](C)C)C1CC1	ZINC001402332866	924978132	/nfs/dbraw/zinc/97/81/32/924978132.db2.gz	COUYPYRXWYQPPG-LLVKDONJSA-N	2	0	313.402	-1.122	20	0		DAADRP
C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+][C@@H]2CCNC2=O)CC[N@@H+]1C	ZINC001402467319	925001845	/nfs/dbraw/zinc/00/18/45/925001845.db2.gz	NXZJOKGHSAWLSM-JHJVBQTASA-N	2	0	312.414	-1.374	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001402512518	925007301	/nfs/dbraw/zinc/00/73/01/925007301.db2.gz	JENSESXMGHYYOW-DCAQKATOSA-N	2	0	311.386	-1.098	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CC(=O)N3CCC3)C2)C1	ZINC001402595886	925016211	/nfs/dbraw/zinc/01/62/11/925016211.db2.gz	KONJVIRXFFXPNO-KGLIPLIRSA-N	2	0	324.425	-1.013	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001402605496	925018336	/nfs/dbraw/zinc/01/83/36/925018336.db2.gz	PYSRVACNGIMAHQ-GFCCVEGCSA-N	2	0	300.403	-1.157	20	0		DAADRP
C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O	ZINC001402638558	925020760	/nfs/dbraw/zinc/02/07/60/925020760.db2.gz	XQHMMOBLAABKJB-MXWKQRLJSA-N	2	0	323.397	-1.098	20	0		DAADRP
C[NH+]1CCC(C(=O)N2CCC[C@@](CO)([NH2+]CC(N)=O)C2)CC1	ZINC001402721554	925025924	/nfs/dbraw/zinc/02/59/24/925025924.db2.gz	ODJNUKHMCAXACN-OAHLLOKOSA-N	2	0	312.414	-1.243	20	0		DAADRP
COC[C@H](O)C[NH2+]CC1(O)CCN(C(=O)CC[NH+](C)C)CC1	ZINC001402786543	925029417	/nfs/dbraw/zinc/02/94/17/925029417.db2.gz	AAINMGKRUSYOOP-CYBMUJFWSA-N	2	0	317.430	-1.112	20	0		DAADRP
C[NH+](C)CCCC(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1	ZINC001402794286	925030263	/nfs/dbraw/zinc/03/02/63/925030263.db2.gz	OMEGPEIILMYKNZ-UHFFFAOYSA-N	2	0	300.403	-1.243	20	0		DAADRP
CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1	ZINC001403243469	925067369	/nfs/dbraw/zinc/06/73/69/925067369.db2.gz	FWEAEOCCWBNTDT-NSHDSACASA-N	2	0	313.402	-1.039	20	0		DAADRP
C[C@H](CCNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH2+]CC(N)=O	ZINC001403462954	925078581	/nfs/dbraw/zinc/07/85/81/925078581.db2.gz	GJRAZTIEAQUGHD-VXGBXAGGSA-N	2	0	300.403	-1.076	20	0		DAADRP
O=C(NC[C@H](CO)[NH2+]CCO)c1ccn(-c2cc[nH+]cc2)n1	ZINC001403692574	925117951	/nfs/dbraw/zinc/11/79/51/925117951.db2.gz	SLYKZHZHUGWYKX-LLVKDONJSA-N	2	0	305.338	-1.060	20	0		DAADRP
C[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCCNC2=O)CC1	ZINC001403693474	925118151	/nfs/dbraw/zinc/11/81/51/925118151.db2.gz	BQQBGZBDNXRKED-QWHCGFSZSA-N	2	0	312.414	-1.327	20	0		DAADRP
CC(C)[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C)[NH+](C)C	ZINC001403710341	925124391	/nfs/dbraw/zinc/12/43/91/925124391.db2.gz	AJYICNFGTWGHBX-WCQYABFASA-N	2	0	302.419	-1.273	20	0		DAADRP
Cn1cc(CC[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)cn1	ZINC001403749230	925136757	/nfs/dbraw/zinc/13/67/57/925136757.db2.gz	PSKHFCUVVBBYMJ-UONOGXRCSA-N	2	0	309.414	-1.019	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001403826570	925147205	/nfs/dbraw/zinc/14/72/05/925147205.db2.gz	BUCXWGDPZKZKSQ-JHJVBQTASA-N	2	0	314.430	-1.128	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001403854530	925155936	/nfs/dbraw/zinc/15/59/36/925155936.db2.gz	RPVJNQBYIVSRON-NWDGAFQWSA-N	2	0	300.403	-1.245	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O	ZINC001403878593	925162077	/nfs/dbraw/zinc/16/20/77/925162077.db2.gz	KSNFJNHHOSNXIX-OLZOCXBDSA-N	2	0	314.430	-1.034	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001403886560	925164342	/nfs/dbraw/zinc/16/43/42/925164342.db2.gz	UOWAQIXQAPLGFW-VXGBXAGGSA-N	2	0	310.398	-1.620	20	0		DAADRP
CN(C[C@@H](O)C[N@H+](C)[C@@H]1CCNC1=O)C(=O)CC[NH+](C)C	ZINC001403891265	925164987	/nfs/dbraw/zinc/16/49/87/925164987.db2.gz	BVBXGMDQQDTCGQ-NWDGAFQWSA-N	2	0	300.403	-1.422	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001403886550	925165200	/nfs/dbraw/zinc/16/52/00/925165200.db2.gz	UOWAQIXQAPLGFW-NEPJUHHUSA-N	2	0	310.398	-1.620	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)NC(N)=O)C1	ZINC001404041505	925180167	/nfs/dbraw/zinc/18/01/67/925180167.db2.gz	PCQBLVRBUDYNEN-GHMZBOCLSA-N	2	0	311.386	-1.286	20	0		DAADRP
C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(N)=O	ZINC001404306349	925189814	/nfs/dbraw/zinc/18/98/14/925189814.db2.gz	ABPIFJDBBZFKMO-HBNTYKKESA-N	2	0	313.402	-1.042	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)Cc2ncc[nH]2)CC[N@@H+]1C	ZINC001405292663	925279071	/nfs/dbraw/zinc/27/90/71/925279071.db2.gz	QRRGHUCVNSUKEY-IJLUTSLNSA-N	2	0	323.397	-1.114	20	0		DAADRP
CC[N@H+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[NH+](C)C1	ZINC001405291987	925280430	/nfs/dbraw/zinc/28/04/30/925280430.db2.gz	WMNKDLAUBTYIPI-QWHCGFSZSA-N	2	0	314.430	-1.127	20	0		DAADRP
O=C(C[NH+]1CCCC1)N[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2	ZINC001405345652	925294359	/nfs/dbraw/zinc/29/43/59/925294359.db2.gz	UDHILMPERZVBRV-CYBMUJFWSA-N	2	0	324.425	-1.229	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[NH+](C)C1	ZINC001405406192	925307447	/nfs/dbraw/zinc/30/74/47/925307447.db2.gz	YKEYNZIZVRUONL-QWHCGFSZSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]CC(=O)NC(N)=O	ZINC001405702061	925331517	/nfs/dbraw/zinc/33/15/17/925331517.db2.gz	WOVVGOSHADTKSZ-SNVBAGLBSA-N	2	0	313.402	-1.135	20	0		DAADRP
CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001405736346	925333358	/nfs/dbraw/zinc/33/33/58/925333358.db2.gz	QLNIRJCDNYIXAI-UWVGGRQHSA-N	2	0	301.391	-1.137	20	0		DAADRP
CC(C)(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)[NH+]1CCCCC1	ZINC001406228627	925365822	/nfs/dbraw/zinc/36/58/22/925365822.db2.gz	YNWNBVVETONROC-NSHDSACASA-N	2	0	300.403	-1.197	20	0		DAADRP
NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1	ZINC001406253164	925376948	/nfs/dbraw/zinc/37/69/48/925376948.db2.gz	WYIQAIKVWOCZOA-OLZOCXBDSA-N	2	0	312.414	-1.055	20	0		DAADRP
CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC	ZINC001406252550	925377948	/nfs/dbraw/zinc/37/79/48/925377948.db2.gz	XUCRRZPMUVPQFB-NWDGAFQWSA-N	2	0	300.403	-1.327	20	0		DAADRP
CN1CCC[C@@H]([NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)C1=O	ZINC001406253514	925380487	/nfs/dbraw/zinc/38/04/87/925380487.db2.gz	CRMXIYIWMRNCKP-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1	ZINC001406257332	925380746	/nfs/dbraw/zinc/38/07/46/925380746.db2.gz	JNRFOKWBEKWDTB-STQMWFEESA-N	2	0	314.430	-1.079	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1	ZINC001406257327	925381507	/nfs/dbraw/zinc/38/15/07/925381507.db2.gz	JNRFOKWBEKWDTB-OLZOCXBDSA-N	2	0	314.430	-1.079	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)COC1CC[NH+](C)CC1	ZINC001406269009	925388358	/nfs/dbraw/zinc/38/83/58/925388358.db2.gz	BWYQSOZUGJGORN-LLVKDONJSA-N	2	0	316.402	-2.090	20	0		DAADRP
C[NH+](C)CCCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O	ZINC001406275739	925389869	/nfs/dbraw/zinc/38/98/69/925389869.db2.gz	VNMCMBUVIGHZTD-NWDGAFQWSA-N	2	0	300.403	-1.327	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1	ZINC001406293383	925396656	/nfs/dbraw/zinc/39/66/56/925396656.db2.gz	QNBVVCVQXYBISO-LBPRGKRZSA-N	2	0	300.403	-1.373	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)N(C)C	ZINC001406315678	925401161	/nfs/dbraw/zinc/40/11/61/925401161.db2.gz	ZFPUPEFYSRSDLC-NEPJUHHUSA-N	2	0	302.419	-1.130	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)N(C)C	ZINC001406315686	925401866	/nfs/dbraw/zinc/40/18/66/925401866.db2.gz	ZFPUPEFYSRSDLC-RYUDHWBXSA-N	2	0	302.419	-1.130	20	0		DAADRP
CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1	ZINC001406395504	925411301	/nfs/dbraw/zinc/41/13/01/925411301.db2.gz	INUMDDUEYMSYRQ-OLZOCXBDSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NC(N)=O)C1	ZINC001407115841	925453231	/nfs/dbraw/zinc/45/32/31/925453231.db2.gz	SSGRMABIFWWTLD-GHMZBOCLSA-N	2	0	311.386	-1.286	20	0		DAADRP
NC(=O)NC(=O)C[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1	ZINC001407570173	925506710	/nfs/dbraw/zinc/50/67/10/925506710.db2.gz	LFSUIZNBANICMG-TXEJJXNPSA-N	2	0	323.397	-1.333	20	0		DAADRP
C[NH+]1CCC(C(=O)N(CCO)CC[NH2+][C@@H]2CCNC2=O)CC1	ZINC001407669857	925516808	/nfs/dbraw/zinc/51/68/08/925516808.db2.gz	XRWARPQHKNSRKE-CYBMUJFWSA-N	2	0	312.414	-1.373	20	0		DAADRP
C[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)N(C)C	ZINC001407664487	925517420	/nfs/dbraw/zinc/51/74/20/925517420.db2.gz	COEAOVUFSLMRBV-OLZOCXBDSA-N	2	0	314.430	-1.175	20	0		DAADRP
O=C(N(CCO)CC[NH2+][C@@H]1CCCNC1=O)C12CC[NH+](CC1)C2	ZINC001407658947	925517698	/nfs/dbraw/zinc/51/76/98/925517698.db2.gz	MIFJNLBBTWCUJV-CYBMUJFWSA-N	2	0	324.425	-1.229	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCC1	ZINC001407771102	925525767	/nfs/dbraw/zinc/52/57/67/925525767.db2.gz	CEMIDCSTHYTHBJ-JTQLQIEISA-N	2	0	311.386	-1.096	20	0		DAADRP
CNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1	ZINC001408047309	925542558	/nfs/dbraw/zinc/54/25/58/925542558.db2.gz	ILWGKWXBGYMPII-CQSZACIVSA-N	2	0	300.403	-1.373	20	0		DAADRP
NC(=O)C[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCOCC1	ZINC001408064231	925543221	/nfs/dbraw/zinc/54/32/21/925543221.db2.gz	WREBMTWHSARUNC-UHFFFAOYSA-N	2	0	310.398	-1.178	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001408086983	925546500	/nfs/dbraw/zinc/54/65/00/925546500.db2.gz	ULMBDVSDYIUNNG-MNOVXSKESA-N	2	0	313.402	-1.042	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H](C)C1	ZINC001408086996	925546692	/nfs/dbraw/zinc/54/66/92/925546692.db2.gz	ULMBDVSDYIUNNG-QWRGUYRKSA-N	2	0	313.402	-1.042	20	0		DAADRP
C[NH+]1CCC[C@@H]1C(=O)NCC(O)CNC(=O)[C@H]1CCC[N@H+]1C	ZINC001410137873	925692573	/nfs/dbraw/zinc/69/25/73/925692573.db2.gz	GNUMDVBCOODMIQ-CHWSQXEVSA-N	2	0	312.414	-1.232	20	0		DAADRP
C[NH+](C)C1(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCCNC2=O)CCC1	ZINC001410665107	925754546	/nfs/dbraw/zinc/75/45/46/925754546.db2.gz	WTWHRZOJCIYHSZ-VXGBXAGGSA-N	2	0	312.414	-1.184	20	0		DAADRP
CC(C)[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1)[NH+](C)C	ZINC001410676207	925756531	/nfs/dbraw/zinc/75/65/31/925756531.db2.gz	KRBDMPKNPNUHET-JSGCOSHPSA-N	2	0	314.430	-1.128	20	0		DAADRP
CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001410757942	925774393	/nfs/dbraw/zinc/77/43/93/925774393.db2.gz	VGRAXKYBMHWSAG-DTWKUNHWSA-N	2	0	303.363	-2.412	20	0		DAADRP
C[C@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C[NH+]1CCCC1	ZINC001410840116	925788853	/nfs/dbraw/zinc/78/88/53/925788853.db2.gz	CLEKOINONCXFEZ-WDEREUQCSA-N	2	0	311.386	-1.144	20	0		DAADRP
C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1)C(N)=O	ZINC001411088939	925811651	/nfs/dbraw/zinc/81/16/51/925811651.db2.gz	LRRCBWIMVGJOLP-QWRGUYRKSA-N	2	0	300.403	-1.389	20	0		DAADRP
C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1)C(=O)N(C)C	ZINC001411131556	925818351	/nfs/dbraw/zinc/81/83/51/925818351.db2.gz	WQKHFCULEYRSKU-QWHCGFSZSA-N	2	0	314.430	-1.032	20	0		DAADRP
CCC[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+](C)[C@H]1CCNC1=O	ZINC001411180215	925830218	/nfs/dbraw/zinc/83/02/18/925830218.db2.gz	OEYUIJBOMVNAOI-STQMWFEESA-N	2	0	314.430	-1.032	20	0		DAADRP
CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]CC(=O)NC(N)=O)C1	ZINC001411240088	925833359	/nfs/dbraw/zinc/83/33/59/925833359.db2.gz	SNXAORJVDGPRHZ-VQXHTEKXSA-N	2	0	311.386	-1.146	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)N[C@@H](CO)CNC(=O)CC[NH+](C)C)C1	ZINC001412976703	925996737	/nfs/dbraw/zinc/99/67/37/925996737.db2.gz	WNBIUAUAGPXBQL-QWHCGFSZSA-N	2	0	314.430	-1.127	20	0		DAADRP
CN(C[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001413271181	926027061	/nfs/dbraw/zinc/02/70/61/926027061.db2.gz	SFDZGSAAKMHWNE-OLZOCXBDSA-N	2	0	314.430	-1.175	20	0		DAADRP
CN(C[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001413271183	926027287	/nfs/dbraw/zinc/02/72/87/926027287.db2.gz	SFDZGSAAKMHWNE-QWHCGFSZSA-N	2	0	314.430	-1.175	20	0		DAADRP
C[NH+](C)C[C@@H]1CN(C(=O)[C@H](CO)NC(N)=O)C[C@H]1C[NH+](C)C	ZINC001413414473	926050697	/nfs/dbraw/zinc/05/06/97/926050697.db2.gz	QGXBTEQKXOIBQL-UTUOFQBUSA-N	2	0	315.418	-1.787	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1O	ZINC001413977476	926092961	/nfs/dbraw/zinc/09/29/61/926092961.db2.gz	KROXRYZPZFKCMO-JHJVBQTASA-N	2	0	312.414	-1.280	20	0		DAADRP
CC[C@H](C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)[NH+](C)C	ZINC001414068851	926106003	/nfs/dbraw/zinc/10/60/03/926106003.db2.gz	SFFAVAVHZGKUSB-UPJWGTAASA-N	2	0	314.430	-1.034	20	0		DAADRP
C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1)C1CCC1	ZINC001418117775	926366705	/nfs/dbraw/zinc/36/67/05/926366705.db2.gz	CRESBQRBXXERGT-AOOOYVTPSA-N	2	0	311.386	-1.098	20	0		DAADRP
C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O	ZINC001418364776	926384737	/nfs/dbraw/zinc/38/47/37/926384737.db2.gz	WSMNSDMIPPQUIS-GHMZBOCLSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[NH+](C)CCn1cc(C(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)cn1	ZINC001418357452	926385282	/nfs/dbraw/zinc/38/52/82/926385282.db2.gz	UPRZLUGQOJKAOF-GFCCVEGCSA-N	2	0	322.413	-1.018	20	0		DAADRP
C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001418537372	926401703	/nfs/dbraw/zinc/40/17/03/926401703.db2.gz	ZDVACKYGZUOJSQ-GHMZBOCLSA-N	2	0	310.402	-1.003	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CC[NH+](C)C	ZINC001418833867	926426559	/nfs/dbraw/zinc/42/65/59/926426559.db2.gz	SBZHPIGLYLBUKR-SNVBAGLBSA-N	2	0	301.391	-1.170	20	0		DAADRP
C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCN(C)S(C)(=O)=O	ZINC001419927672	926508039	/nfs/dbraw/zinc/50/80/39/926508039.db2.gz	SIXDMHJIMXHPGV-NEPJUHHUSA-N	2	0	320.459	-1.076	20	0		DAADRP
C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCN(C)S(C)(=O)=O	ZINC001419927689	926509481	/nfs/dbraw/zinc/50/94/81/926509481.db2.gz	SIXDMHJIMXHPGV-NWDGAFQWSA-N	2	0	320.459	-1.076	20	0		DAADRP
CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C	ZINC001420014246	926515465	/nfs/dbraw/zinc/51/54/65/926515465.db2.gz	XVKFDOWYUHRBSU-QWRGUYRKSA-N	2	0	313.402	-1.040	20	0		DAADRP
CC(C)CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001420119190	926529584	/nfs/dbraw/zinc/52/95/84/926529584.db2.gz	ZWBKNLPFFBVGDM-OLZOCXBDSA-N	2	0	314.430	-1.081	20	0		DAADRP
CCCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1	ZINC001420140264	926540459	/nfs/dbraw/zinc/54/04/59/926540459.db2.gz	DQCLTTNRCHAEEN-CYBMUJFWSA-N	2	0	314.430	-1.079	20	0		DAADRP
C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O	ZINC001420154567	926544406	/nfs/dbraw/zinc/54/44/06/926544406.db2.gz	FKBQAKGBWYTTHR-GHMZBOCLSA-N	2	0	300.403	-1.199	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1	ZINC001420174790	926550835	/nfs/dbraw/zinc/55/08/35/926550835.db2.gz	SUHYKMPDHQBATD-CHWSQXEVSA-N	2	0	312.414	-1.230	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1	ZINC001420174792	926551533	/nfs/dbraw/zinc/55/15/33/926551533.db2.gz	SUHYKMPDHQBATD-QWHCGFSZSA-N	2	0	312.414	-1.230	20	0		DAADRP
O=C(NC[C@H](O)C[NH2+][C@H]1CCCNC1=O)C12CC[NH+](CC1)C2	ZINC001420197401	926560385	/nfs/dbraw/zinc/56/03/85/926560385.db2.gz	OJHLLUXACSTTNE-NEPJUHHUSA-N	2	0	310.398	-1.573	20	0		DAADRP
NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](CC2CC2)CC1	ZINC001420200986	926563521	/nfs/dbraw/zinc/56/35/21/926563521.db2.gz	WDRKJZRGFVFKOH-CYBMUJFWSA-N	2	0	312.414	-1.340	20	0		DAADRP
C[C@H]([NH2+]C[C@@H](O)CNC(=O)CC[NH+]1CCCCC1)C(N)=O	ZINC001420211335	926565396	/nfs/dbraw/zinc/56/53/96/926565396.db2.gz	JTGCKWHMCHCUMN-NWDGAFQWSA-N	2	0	300.403	-1.197	20	0		DAADRP
O=C(CC[NH+]1CCCCC1)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O	ZINC001420221536	926567264	/nfs/dbraw/zinc/56/72/64/926567264.db2.gz	YAFSYCZFMDXZGM-STQMWFEESA-N	2	0	312.414	-1.182	20	0		DAADRP
C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001420420525	926589413	/nfs/dbraw/zinc/58/94/13/926589413.db2.gz	KFAHPEXXBYARJK-ONGXEEELSA-N	2	0	311.386	-1.383	20	0		DAADRP
CC[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CC(N)=O	ZINC001421490115	926718026	/nfs/dbraw/zinc/71/80/26/926718026.db2.gz	NODGYRBXALLLCV-RYUDHWBXSA-N	2	0	300.403	-1.076	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001421765471	926751477	/nfs/dbraw/zinc/75/14/77/926751477.db2.gz	GDXPMROTJPWEMM-MNOVXSKESA-N	2	0	313.402	-1.264	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001421765477	926751744	/nfs/dbraw/zinc/75/17/44/926751744.db2.gz	GDXPMROTJPWEMM-QWRGUYRKSA-N	2	0	313.402	-1.264	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001421765481	926752528	/nfs/dbraw/zinc/75/25/28/926752528.db2.gz	GDXPMROTJPWEMM-WDEREUQCSA-N	2	0	313.402	-1.264	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C	ZINC001421941108	926775737	/nfs/dbraw/zinc/77/57/37/926775737.db2.gz	UXLUNAVQCQIFAJ-SNVBAGLBSA-N	2	0	301.391	-1.170	20	0		DAADRP
NC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1	ZINC001421974979	926777423	/nfs/dbraw/zinc/77/74/23/926777423.db2.gz	ZPRNDCWAVXWDDT-CJNGLKHVSA-N	2	0	324.425	-1.243	20	0		DAADRP
O=C(NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O)C12CCC[NH+]1CCC2	ZINC001422328860	926830521	/nfs/dbraw/zinc/83/05/21/926830521.db2.gz	NGTRBZGSOCHCIV-CHWSQXEVSA-N	2	0	324.425	-1.040	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001422366424	926852366	/nfs/dbraw/zinc/85/23/66/926852366.db2.gz	ZQLKDLWZXTUZTE-VXGBXAGGSA-N	2	0	300.403	-1.469	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O	ZINC001422379145	926854883	/nfs/dbraw/zinc/85/48/83/926854883.db2.gz	KHKNKYWJBSFOFA-VXGBXAGGSA-N	2	0	300.403	-1.327	20	0		DAADRP
CC(C)[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)[NH+]1CCCC1	ZINC001422429910	926871663	/nfs/dbraw/zinc/87/16/63/926871663.db2.gz	UKHDFBMCHAMGMR-WCQYABFASA-N	2	0	300.403	-1.341	20	0		DAADRP
CC[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NC)[NH+](C)C	ZINC001422504661	926880974	/nfs/dbraw/zinc/88/09/74/926880974.db2.gz	CJEOHEUJGPAFRH-NXEZZACHSA-N	2	0	301.391	-1.124	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001422907546	926927458	/nfs/dbraw/zinc/92/74/58/926927458.db2.gz	QPXOZMZLUUDNOX-GMTAPVOTSA-N	2	0	311.386	-1.383	20	0		DAADRP
C[C@H](CN(C)Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001422936041	926930437	/nfs/dbraw/zinc/93/04/37/926930437.db2.gz	NSFREQDDMIAHCR-GHMZBOCLSA-N	2	0	310.402	-1.003	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C	ZINC001423060628	926940107	/nfs/dbraw/zinc/94/01/07/926940107.db2.gz	UVOQZCXVYHLQTA-QWRGUYRKSA-N	2	0	313.402	-1.027	20	0		DAADRP
C[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O)CC1	ZINC001423256620	927000270	/nfs/dbraw/zinc/00/02/70/927000270.db2.gz	HBVJRROOYYLDDW-SNVBAGLBSA-N	2	0	315.374	-2.410	20	0		DAADRP
CN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)CCC[NH+](C)C)C1=O	ZINC001423262090	927005748	/nfs/dbraw/zinc/00/57/48/927005748.db2.gz	ZXHJNGGQGOMDSD-NEPJUHHUSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O	ZINC001423282175	927012059	/nfs/dbraw/zinc/01/20/59/927012059.db2.gz	JTPFLOXHJOMFAB-VXGBXAGGSA-N	2	0	300.403	-1.327	20	0		DAADRP
CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001423293936	927019350	/nfs/dbraw/zinc/01/93/50/927019350.db2.gz	JRPJKQSBTXLKNU-OLZOCXBDSA-N	2	0	324.425	-1.230	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CC2)C1	ZINC001423301972	927022747	/nfs/dbraw/zinc/02/27/47/927022747.db2.gz	UOKRHVVXEOWACS-WCQYABFASA-N	2	0	312.414	-1.327	20	0		DAADRP
CCCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001423299025	927022853	/nfs/dbraw/zinc/02/28/53/927022853.db2.gz	HAYYVOPITZYHBH-NEPJUHHUSA-N	2	0	300.403	-1.469	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]C[C@H]1CCc2ncnn21	ZINC001423311279	927026777	/nfs/dbraw/zinc/02/67/77/927026777.db2.gz	XLXYHLQREOAZDE-CHWSQXEVSA-N	2	0	322.413	-1.072	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1	ZINC001423358029	927031439	/nfs/dbraw/zinc/03/14/39/927031439.db2.gz	QUAJPVGVXIXBEB-GHMZBOCLSA-N	2	0	313.402	-1.027	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001423467457	927066402	/nfs/dbraw/zinc/06/64/02/927066402.db2.gz	IKXYBIAVSVDTJZ-LBPRGKRZSA-N	2	0	300.403	-1.517	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2	ZINC001423477060	927070372	/nfs/dbraw/zinc/07/03/72/927070372.db2.gz	HVORUWCLSGWQLH-LBPRGKRZSA-N	2	0	312.414	-1.421	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCNC1=O	ZINC001423492672	927078617	/nfs/dbraw/zinc/07/86/17/927078617.db2.gz	IGILOQFQGDQZFS-NWDGAFQWSA-N	2	0	300.403	-1.376	20	0		DAADRP
CN(C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cn1ccnc1	ZINC001423547712	927093365	/nfs/dbraw/zinc/09/33/65/927093365.db2.gz	VKUUTAGTDDONJA-QWHCGFSZSA-N	2	0	323.397	-1.135	20	0		DAADRP
CN(C[C@H](O)C[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)Cn1ccnc1	ZINC001423547710	927094048	/nfs/dbraw/zinc/09/40/48/927094048.db2.gz	VKUUTAGTDDONJA-OLZOCXBDSA-N	2	0	323.397	-1.135	20	0		DAADRP
C[C@@H]([NH2+]CCN(CCO)C(=O)C12CCC[NH+]1CCC2)C(N)=O	ZINC001424040381	927185519	/nfs/dbraw/zinc/18/55/19/927185519.db2.gz	FGSMVGFZWMBVLJ-GFCCVEGCSA-N	2	0	312.414	-1.101	20	0		DAADRP
C[N@H+](CC(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O)C1CCC1	ZINC001424051004	927187420	/nfs/dbraw/zinc/18/74/20/927187420.db2.gz	RTXONWFMSQADHJ-ZDUSSCGKSA-N	2	0	312.414	-1.230	20	0		DAADRP
C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1)C(N)=O	ZINC001424238825	927211553	/nfs/dbraw/zinc/21/15/53/927211553.db2.gz	NFAIDTWUEZJOIV-VXGBXAGGSA-N	2	0	310.398	-1.227	20	0		DAADRP
C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001424493862	927237102	/nfs/dbraw/zinc/23/71/02/927237102.db2.gz	ZDVACKYGZUOJSQ-MNOVXSKESA-N	2	0	310.402	-1.003	20	0		DAADRP
C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001424493919	927237279	/nfs/dbraw/zinc/23/72/79/927237279.db2.gz	ZDVACKYGZUOJSQ-WDEREUQCSA-N	2	0	310.402	-1.003	20	0		DAADRP
CNC(=O)C[NH2+]CC1(O)CCN(C(=O)Cc2cncn2C)CC1	ZINC001424553715	927242791	/nfs/dbraw/zinc/24/27/91/927242791.db2.gz	YQWKZZMSQBRJRP-UHFFFAOYSA-N	2	0	323.397	-1.348	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NC1CC(C[NH2+]CC(N)=O)C1	ZINC001424738900	927256806	/nfs/dbraw/zinc/25/68/06/927256806.db2.gz	BYMJNZYBTULZCJ-HIFPTAJRSA-N	2	0	312.414	-1.076	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001425388556	927342862	/nfs/dbraw/zinc/34/28/62/927342862.db2.gz	CWDJCDDYDUHNIO-NWDGAFQWSA-N	2	0	300.403	-1.517	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001425388554	927344358	/nfs/dbraw/zinc/34/43/58/927344358.db2.gz	CWDJCDDYDUHNIO-NEPJUHHUSA-N	2	0	300.403	-1.517	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[NH+](C)C1	ZINC001425411489	927353834	/nfs/dbraw/zinc/35/38/34/927353834.db2.gz	MWLGLTKISSIKJZ-QWHCGFSZSA-N	2	0	314.430	-1.128	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)C1CC[NH+](C)CC1	ZINC001425496524	927382096	/nfs/dbraw/zinc/38/20/96/927382096.db2.gz	TYHYRMOVNPYNMB-ZDUSSCGKSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)NC(N)=O	ZINC001425628555	927396710	/nfs/dbraw/zinc/39/67/10/927396710.db2.gz	ASEBFNGYJVWBIB-SNVBAGLBSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCN1CCNC1=O	ZINC001425711613	927405724	/nfs/dbraw/zinc/40/57/24/927405724.db2.gz	JGXDJWJHWWPQMO-RYUDHWBXSA-N	2	0	313.402	-1.828	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C)CC[N@@H+]1C	ZINC001425751606	927425645	/nfs/dbraw/zinc/42/56/45/927425645.db2.gz	GBPBGRSGAFXURI-GRYCIOLGSA-N	2	0	300.403	-1.519	20	0		DAADRP
O=C(NC[C@H](CO)[NH2+][C@@H]1CCNC1=O)C12CCC[NH+](CCC1)C2	ZINC001425764166	927432864	/nfs/dbraw/zinc/43/28/64/927432864.db2.gz	BIKATFUBJDUFGV-CHWSQXEVSA-N	2	0	324.425	-1.182	20	0		DAADRP
O=C(C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NC1CC1	ZINC001425762424	927433262	/nfs/dbraw/zinc/43/32/62/927433262.db2.gz	WKZYNKICPFPTOI-UONOGXRCSA-N	2	0	324.425	-1.327	20	0		DAADRP
CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H](CO)[NH2+]CCO	ZINC001425783397	927445969	/nfs/dbraw/zinc/44/59/69/927445969.db2.gz	ZBNRJLBBWJAXKO-GFCCVEGCSA-N	2	0	303.403	-1.596	20	0		DAADRP
CNC(=O)C[NH2+][C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1	ZINC001425824250	927465465	/nfs/dbraw/zinc/46/54/65/927465465.db2.gz	RRPBZKOCZUBYBK-GFCCVEGCSA-N	2	0	300.403	-1.469	20	0		DAADRP
C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O	ZINC001426001335	927500291	/nfs/dbraw/zinc/50/02/91/927500291.db2.gz	PZBXRTOGRRYAGC-NEPJUHHUSA-N	2	0	312.414	-1.103	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)CCC[NH+](C)C	ZINC001426020781	927508813	/nfs/dbraw/zinc/50/88/13/927508813.db2.gz	DEJNUYUCZASOEK-STQMWFEESA-N	2	0	314.430	-1.032	20	0		DAADRP
CC[N@H+](C)CCC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O	ZINC001426026785	927509379	/nfs/dbraw/zinc/50/93/79/927509379.db2.gz	BYBOXGNZTVGOBV-QWHCGFSZSA-N	2	0	314.430	-1.032	20	0		DAADRP
CN(C[C@H](O)C[N@H+](C)[C@@H]1CCNC1=O)C(=O)CCC[NH+](C)C	ZINC001426087602	927529312	/nfs/dbraw/zinc/52/93/12/927529312.db2.gz	UZXMLGOBANQHTK-CHWSQXEVSA-N	2	0	314.430	-1.032	20	0		DAADRP
CN(C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CC[NH+](C)C	ZINC001428261150	927768355	/nfs/dbraw/zinc/76/83/55/927768355.db2.gz	PXBVTLSTPXVVKF-STQMWFEESA-N	2	0	314.430	-1.032	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](O)CNC(=O)C1CC[NH+](C)CC1	ZINC001433326405	928216172	/nfs/dbraw/zinc/21/61/72/928216172.db2.gz	ZVARLFDJHQGVDD-ZDUSSCGKSA-N	2	0	314.430	-1.127	20	0		DAADRP
CN1CCN(c2cc[nH+]c(NC(=O)[C@H](CO)NC(N)=O)c2)CC1	ZINC001434280125	928324628	/nfs/dbraw/zinc/32/46/28/928324628.db2.gz	ZBDHBFQCLYSRIM-NSHDSACASA-N	2	0	322.369	-1.199	20	0		DAADRP
CN1CCN(c2cc[nH+]c(NC(=O)[C@@H](CO)NC(N)=O)c2)CC1	ZINC001434280123	928326241	/nfs/dbraw/zinc/32/62/41/928326241.db2.gz	ZBDHBFQCLYSRIM-LLVKDONJSA-N	2	0	322.369	-1.199	20	0		DAADRP
C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC(=O)NC(N)=O	ZINC001437165990	928431945	/nfs/dbraw/zinc/43/19/45/928431945.db2.gz	KMKIVQNORXXBOP-SNVBAGLBSA-N	2	0	311.386	-1.096	20	0		DAADRP
NC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1	ZINC001437741101	928476710	/nfs/dbraw/zinc/47/67/10/928476710.db2.gz	IKTUHJOUGUBQCF-NSHDSACASA-N	2	0	311.386	-1.285	20	0		DAADRP
C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)C[NH2+]CC(N)=O	ZINC001438533241	928520183	/nfs/dbraw/zinc/52/01/83/928520183.db2.gz	GWNBKCBDIDOIBN-LLVKDONJSA-N	2	0	300.403	-1.076	20	0		DAADRP
C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@H](C)C(=O)NC(N)=O	ZINC001438526029	928521478	/nfs/dbraw/zinc/52/14/78/928521478.db2.gz	YNGHUVIGRUJGFY-VHSXEESVSA-N	2	0	301.391	-1.137	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001438989952	928560924	/nfs/dbraw/zinc/56/09/24/928560924.db2.gz	JLCYYVBYHWNLDR-OLZOCXBDSA-N	2	0	312.414	-1.517	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001438989953	928562528	/nfs/dbraw/zinc/56/25/28/928562528.db2.gz	JLCYYVBYHWNLDR-QWHCGFSZSA-N	2	0	312.414	-1.517	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C	ZINC001438995486	928564192	/nfs/dbraw/zinc/56/41/92/928564192.db2.gz	CTFDYIOTIYJUQU-CHWSQXEVSA-N	2	0	314.430	-1.081	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C	ZINC001438995492	928564981	/nfs/dbraw/zinc/56/49/81/928564981.db2.gz	CTFDYIOTIYJUQU-OLZOCXBDSA-N	2	0	314.430	-1.081	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C	ZINC001438995502	928565008	/nfs/dbraw/zinc/56/50/08/928565008.db2.gz	CTFDYIOTIYJUQU-STQMWFEESA-N	2	0	314.430	-1.081	20	0		DAADRP
CCN(CC)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001439040782	928588436	/nfs/dbraw/zinc/58/84/36/928588436.db2.gz	FEBYUKOEBWCEHJ-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
CC(C)[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnnn1C)[NH+](C)C	ZINC001439044391	928590498	/nfs/dbraw/zinc/59/04/98/928590498.db2.gz	MJWRAZZBGHZPTA-QWHCGFSZSA-N	2	0	312.418	-1.032	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCN(C)C1=O	ZINC001439044261	928591070	/nfs/dbraw/zinc/59/10/70/928591070.db2.gz	MFFRSGOQQQPDQG-NEPJUHHUSA-N	2	0	300.403	-1.374	20	0		DAADRP
CN1CC[C@H]([N@@H+]2CC[C@](O)(CNC(=O)C[NH+]3CCCC3)C2)C1=O	ZINC001440023575	928669381	/nfs/dbraw/zinc/66/93/81/928669381.db2.gz	NFEHGKMVUHKATK-BBRMVZONSA-N	2	0	324.425	-1.134	20	0		DAADRP
C[C@@H]([NH2+]CCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1)C(N)=O	ZINC001440204012	928704378	/nfs/dbraw/zinc/70/43/78/928704378.db2.gz	GISGYQIOGLUAFB-NWDGAFQWSA-N	2	0	300.403	-1.388	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1	ZINC001440353577	928715487	/nfs/dbraw/zinc/71/54/87/928715487.db2.gz	NDSVUFAQUQJDRP-UHFFFAOYSA-N	2	0	311.386	-1.094	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001440761563	928743902	/nfs/dbraw/zinc/74/39/02/928743902.db2.gz	QPXOZMZLUUDNOX-YVNMAJEFSA-N	2	0	311.386	-1.383	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001441417957	928786433	/nfs/dbraw/zinc/78/64/33/928786433.db2.gz	RGIFUZZPYWKQPK-DCAQKATOSA-N	2	0	311.386	-1.240	20	0		DAADRP
CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001441743550	928848827	/nfs/dbraw/zinc/84/88/27/928848827.db2.gz	SLYCCURNUIJMHE-AVGNSLFASA-N	2	0	314.430	-1.081	20	0		DAADRP
C[C@@H]([NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C	ZINC001441748912	928851924	/nfs/dbraw/zinc/85/19/24/928851924.db2.gz	RZSYAEZCFPOIAC-DGCLKSJQSA-N	2	0	314.430	-1.128	20	0		DAADRP
CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1	ZINC001441751614	928852908	/nfs/dbraw/zinc/85/29/08/928852908.db2.gz	UTMITTDTFPFOMU-ZDUSSCGKSA-N	2	0	314.430	-1.127	20	0		DAADRP
CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1	ZINC001441758687	928853804	/nfs/dbraw/zinc/85/38/04/928853804.db2.gz	ZENPDVBUPYBPBM-LBPRGKRZSA-N	2	0	300.403	-1.469	20	0		DAADRP
CC(C)[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001441763539	928858660	/nfs/dbraw/zinc/85/86/60/928858660.db2.gz	OJUZYDQJSVLBTD-GXSJLCMTSA-N	2	0	317.390	-2.166	20	0		DAADRP
C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)COC1CC[NH+](C)CC1	ZINC001441769145	928858792	/nfs/dbraw/zinc/85/87/92/928858792.db2.gz	QECHHTGDRGTNFR-NEPJUHHUSA-N	2	0	303.403	-1.455	20	0		DAADRP
Cc1nc(C)n(CC[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1	ZINC001441787928	928866602	/nfs/dbraw/zinc/86/66/02/928866602.db2.gz	GNWJLFLPPXXETC-ZIAGYGMSSA-N	2	0	324.429	-1.087	20	0		DAADRP
O=C(C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)N1CCC1	ZINC001441789631	928867552	/nfs/dbraw/zinc/86/75/52/928867552.db2.gz	OQJWOZLLNNUFNV-GFCCVEGCSA-N	2	0	310.398	-1.619	20	0		DAADRP
CN1CCC[C@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)C1=O	ZINC001441797024	928870209	/nfs/dbraw/zinc/87/02/09/928870209.db2.gz	PXIWZDYOJACVNM-OLZOCXBDSA-N	2	0	312.414	-1.230	20	0		DAADRP
CN1CCC[C@@H]([NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)C1=O	ZINC001441797032	928870421	/nfs/dbraw/zinc/87/04/21/928870421.db2.gz	PXIWZDYOJACVNM-QWHCGFSZSA-N	2	0	312.414	-1.230	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O	ZINC001441827715	928873113	/nfs/dbraw/zinc/87/31/13/928873113.db2.gz	OMSZDNHSQFVYHX-VXGBXAGGSA-N	2	0	300.403	-1.328	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O	ZINC001441840256	928874777	/nfs/dbraw/zinc/87/47/77/928874777.db2.gz	ZRBIXYBCCOVPQM-VIFPVBQESA-N	2	0	303.363	-2.412	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C	ZINC001442003752	928905401	/nfs/dbraw/zinc/90/54/01/928905401.db2.gz	XQQHYVLBPULACG-SNVBAGLBSA-N	2	0	317.390	-2.197	20	0		DAADRP
CC[N@H+](C)CCC(=O)N(C)C[C@@H](O)C[NH+](C)[C@H]1CCNC1=O	ZINC001442095405	928926118	/nfs/dbraw/zinc/92/61/18/928926118.db2.gz	OSGYZBOIFAUXQW-STQMWFEESA-N	2	0	314.430	-1.032	20	0		DAADRP
CC[N@H+](C)CCC(=O)N(C)C[C@@H](O)C[NH+](C)[C@@H]1CCNC1=O	ZINC001442095404	928927377	/nfs/dbraw/zinc/92/73/77/928927377.db2.gz	OSGYZBOIFAUXQW-QWHCGFSZSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)C[NH+]1CCCC1	ZINC001444125880	929065854	/nfs/dbraw/zinc/06/58/54/929065854.db2.gz	PCCVYFQCFGOETF-STQMWFEESA-N	2	0	312.414	-1.230	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)CC[NH+](C)C)CC[N@@H+]1C	ZINC001444194479	929083422	/nfs/dbraw/zinc/08/34/22/929083422.db2.gz	NQOQHVPCJSTDGW-JHJVBQTASA-N	2	0	314.430	-1.128	20	0		DAADRP
C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001444727628	929150703	/nfs/dbraw/zinc/15/07/03/929150703.db2.gz	NPGHQYCGSDTFEW-MNOVXSKESA-N	2	0	310.402	-1.003	20	0		DAADRP
Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001445179103	929175477	/nfs/dbraw/zinc/17/54/77/929175477.db2.gz	JMGVXOXUTQGOHX-ZIAGYGMSSA-N	2	0	322.413	-1.276	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1	ZINC001445188733	929179890	/nfs/dbraw/zinc/17/98/90/929179890.db2.gz	KQLXUQBHVHMKHJ-LLVKDONJSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1	ZINC001445227521	929194867	/nfs/dbraw/zinc/19/48/67/929194867.db2.gz	UITRPGOIMMJPEP-NEPJUHHUSA-N	2	0	321.443	-1.561	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1	ZINC001445270141	929205953	/nfs/dbraw/zinc/20/59/53/929205953.db2.gz	PGRNGXDHHWQNBI-LBPRGKRZSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1	ZINC001445264888	929206284	/nfs/dbraw/zinc/20/62/84/929206284.db2.gz	GHQVEZGHDLIYMK-RYUDHWBXSA-N	2	0	314.430	-1.081	20	0		DAADRP
CN(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1	ZINC001445270137	929206595	/nfs/dbraw/zinc/20/65/95/929206595.db2.gz	LUBAIWUXNNANCE-YPMHNXCESA-N	2	0	312.414	-1.374	20	0		DAADRP
CN(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1	ZINC001445270132	929207063	/nfs/dbraw/zinc/20/70/63/929207063.db2.gz	LUBAIWUXNNANCE-AAEUAGOBSA-N	2	0	312.414	-1.374	20	0		DAADRP
Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1=O	ZINC001445267181	929207787	/nfs/dbraw/zinc/20/77/87/929207787.db2.gz	ISKIWPYWTHLXJU-KGLIPLIRSA-N	2	0	322.409	-1.096	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NC	ZINC001445482162	929224816	/nfs/dbraw/zinc/22/48/16/929224816.db2.gz	NQVLHAMULAYYHV-SNVBAGLBSA-N	2	0	301.391	-1.122	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1O	ZINC001445527252	929234329	/nfs/dbraw/zinc/23/43/29/929234329.db2.gz	GIZJTCVHFKCHPY-YNEHKIRRSA-N	2	0	312.414	-1.422	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O	ZINC001445660952	929248678	/nfs/dbraw/zinc/24/86/78/929248678.db2.gz	GIZJTCVHFKCHPY-XQQFMLRXSA-N	2	0	312.414	-1.422	20	0		DAADRP
CC[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](C[C@@H](O)COC)C1)[NH+](C)C	ZINC001446790194	929323717	/nfs/dbraw/zinc/32/37/17/929323717.db2.gz	WYOLADNTPZJCPR-IPYPFGDCSA-N	2	0	317.430	-1.113	20	0		DAADRP
O=C(N(CCO)CC[NH2+][C@@H]1CCNC1=O)C12CCC[NH+]1CCC2	ZINC001447060873	929366745	/nfs/dbraw/zinc/36/67/45/929366745.db2.gz	IPEVPXVRNASCBQ-CYBMUJFWSA-N	2	0	324.425	-1.086	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001447056651	929368128	/nfs/dbraw/zinc/36/81/28/929368128.db2.gz	BXLGRICHUMTOEG-QWHCGFSZSA-N	2	0	314.430	-1.127	20	0		DAADRP
CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)CC[NH+](C)C)CCO2)C1=O	ZINC001447284354	929382594	/nfs/dbraw/zinc/38/25/94/929382594.db2.gz	BUHUYQMXFMTYQW-STQMWFEESA-N	2	0	312.414	-1.014	20	0		DAADRP
C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)NC(N)=O	ZINC001448742574	929469752	/nfs/dbraw/zinc/46/97/52/929469752.db2.gz	XLFNLTRIUGSAMZ-JTQLQIEISA-N	2	0	313.402	-1.040	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001448792726	929471429	/nfs/dbraw/zinc/47/14/29/929471429.db2.gz	VRNWIIOBBPAIOM-QWRGUYRKSA-N	2	0	313.402	-1.170	20	0		DAADRP
CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001448833582	929489011	/nfs/dbraw/zinc/48/90/11/929489011.db2.gz	CJYXKNHHMBIHAC-STQMWFEESA-N	2	0	312.414	-1.469	20	0		DAADRP
CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)C1=O	ZINC001448956179	929525385	/nfs/dbraw/zinc/52/53/85/929525385.db2.gz	QEZDJBBZEFTXRV-QWHCGFSZSA-N	2	0	312.414	-1.230	20	0		DAADRP
CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)C1=O	ZINC001448956174	929526423	/nfs/dbraw/zinc/52/64/23/929526423.db2.gz	QEZDJBBZEFTXRV-CHWSQXEVSA-N	2	0	312.414	-1.230	20	0		DAADRP
C[C@@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1)C(=O)N(C)C	ZINC001448960790	929528144	/nfs/dbraw/zinc/52/81/44/929528144.db2.gz	XONOVXPIQUFYSI-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[C@H]([NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1)C(=O)N(C)C	ZINC001448960783	929528963	/nfs/dbraw/zinc/52/89/63/929528963.db2.gz	XONOVXPIQUFYSI-RYUDHWBXSA-N	2	0	300.403	-1.374	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001449141844	929551572	/nfs/dbraw/zinc/55/15/72/929551572.db2.gz	AEERDURIMZCUII-DGCLKSJQSA-N	2	0	314.430	-1.128	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2	ZINC001449148843	929552579	/nfs/dbraw/zinc/55/25/79/929552579.db2.gz	VUDQCVVKNZRXMT-GFCCVEGCSA-N	2	0	312.414	-1.230	20	0		DAADRP
COC[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001449147174	929554281	/nfs/dbraw/zinc/55/42/81/929554281.db2.gz	FLKMIGNSOMEYLG-FRRDWIJNSA-N	2	0	303.403	-1.503	20	0		DAADRP
Cc1nc[nH]c1CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C	ZINC001449167052	929558956	/nfs/dbraw/zinc/55/89/56/929558956.db2.gz	BGJHGLKFEZUDHP-NSHDSACASA-N	2	0	311.386	-1.242	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCC1	ZINC001449188474	929562667	/nfs/dbraw/zinc/56/26/67/929562667.db2.gz	MLMXOVJNVDUOES-CYBMUJFWSA-N	2	0	314.430	-1.032	20	0		DAADRP
CN(C[C@@H](O)C[N@H+](C)CCn1cncn1)C(=O)[C@H]1CC[NH+](C)C1	ZINC001449250282	929575343	/nfs/dbraw/zinc/57/53/43/929575343.db2.gz	WMHVMPHJEVCRGL-KBPBESRZSA-N	2	0	324.429	-1.019	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O	ZINC001521504476	929663607	/nfs/dbraw/zinc/66/36/07/929663607.db2.gz	VAMNSDODQCNPNO-OLZOCXBDSA-N	2	0	311.430	-1.454	20	0		DAADRP
COCCOCC[N@H+](C)CCC(=O)N1CC[NH2+]C[C@H]1CO	ZINC001522419573	929668068	/nfs/dbraw/zinc/66/80/68/929668068.db2.gz	YTQSADZXHRXYRO-ZDUSSCGKSA-N	2	0	303.403	-1.236	20	0		DAADRP
CC1(C)CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC2(C[NH2+]C2)O1	ZINC001548579187	930030466	/nfs/dbraw/zinc/03/04/66/930030466.db2.gz	QSWALCIECHZOOX-LLVKDONJSA-N	2	0	310.398	-1.166	20	0		DAADRP
CN1CC[NH2+]C[C@H]1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC001548553508	930030834	/nfs/dbraw/zinc/03/08/34/930030834.db2.gz	NGHCRROEUFQECS-AWEZNQCLSA-N	2	0	323.441	-1.343	20	0		DAADRP
CC1(C)CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC2(C[NH2+]C2)O1	ZINC001548579192	930030958	/nfs/dbraw/zinc/03/09/58/930030958.db2.gz	QSWALCIECHZOOX-NSHDSACASA-N	2	0	310.398	-1.166	20	0		DAADRP
C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@@H]1C[NH+]2CCN1CCC2	ZINC001548700842	930039180	/nfs/dbraw/zinc/03/91/80/930039180.db2.gz	DQWFYGLKMJVAOG-RBSFLKMASA-N	2	0	307.442	-1.119	20	0		DAADRP
Cn1cc([C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)C[C@@H]2[NH3+])cn1	ZINC001549123014	930050016	/nfs/dbraw/zinc/05/00/16/930050016.db2.gz	FMHVEABBWJKKIX-ABHRYQDASA-N	2	0	305.382	-1.091	20	0		DAADRP
Cn1cc([C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)C[C@H]2[NH3+])cn1	ZINC001549123017	930050390	/nfs/dbraw/zinc/05/03/90/930050390.db2.gz	FMHVEABBWJKKIX-COMQUAJESA-N	2	0	305.382	-1.091	20	0		DAADRP
O=C(N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1(O)C[NH2+]C1	ZINC001549293534	930052280	/nfs/dbraw/zinc/05/22/80/930052280.db2.gz	WSIUWZGXJIIPAQ-NWDGAFQWSA-N	2	0	323.397	-1.933	20	0		DAADRP
CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)NCC23CC(C2)C[NH2+]3)nn1	ZINC001549299805	930053381	/nfs/dbraw/zinc/05/33/81/930053381.db2.gz	KJIJVONRAYAYJR-GBDWCXJYSA-N	2	0	320.397	-1.152	20	0		DAADRP
CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3C[NH2+]CCO3)CC2)C1=O	ZINC001550093172	930060121	/nfs/dbraw/zinc/06/01/21/930060121.db2.gz	YZFDKGKIVXXKBW-STQMWFEESA-N	2	0	310.398	-1.214	20	0		DAADRP
COC[C@]1(C(=O)N2C[C@H]([NH3+])[C@@H](c3cnn(C)c3)C2)C[NH2+]CCO1	ZINC001550066601	930060619	/nfs/dbraw/zinc/06/06/19/930060619.db2.gz	HYVJHVBYFRWKQC-IPYPFGDCSA-N	2	0	323.397	-1.322	20	0		DAADRP
CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3OCC[C@@H]3[NH3+])CC2)C1=O	ZINC001550092496	930060719	/nfs/dbraw/zinc/06/07/19/930060719.db2.gz	HCVLVCLLLUNCEV-AVGNSLFASA-N	2	0	310.398	-1.086	20	0		DAADRP
CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3C[NH2+]CCO3)CC2)C1=O	ZINC001550093170	930060847	/nfs/dbraw/zinc/06/08/47/930060847.db2.gz	YZFDKGKIVXXKBW-OLZOCXBDSA-N	2	0	310.398	-1.214	20	0		DAADRP
[NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)C2)nn1	ZINC001550096603	930062227	/nfs/dbraw/zinc/06/22/27/930062227.db2.gz	NDWBYGZNHZNQPS-QKCSRTOESA-N	2	0	306.370	-1.254	20	0		DAADRP
C[NH+]1CCN([C@H]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1	ZINC001550115546	930063448	/nfs/dbraw/zinc/06/34/48/930063448.db2.gz	BETCWOFXGDTPLE-KBPBESRZSA-N	2	0	323.441	-1.297	20	0		DAADRP
CNC(=O)[C@]12C[N@H+](CCC(=O)N3CC[NH2+]CC3)C[C@@H]1COCC2	ZINC001551412275	930067339	/nfs/dbraw/zinc/06/73/39/930067339.db2.gz	UUZPEMRMRNMRLO-CZUORRHYSA-N	2	0	324.425	-1.107	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[C@H]3C[NH2+]C[C@H]32)nn1	ZINC001552087864	930068446	/nfs/dbraw/zinc/06/84/46/930068446.db2.gz	OWAOTMJRDJHNBZ-OIMNJJJWSA-N	2	0	320.397	-1.200	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)nn1	ZINC001552089635	930069002	/nfs/dbraw/zinc/06/90/02/930069002.db2.gz	HTSFOEOOIOWGHK-SRRSOLGSSA-N	2	0	308.386	-1.215	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[C@@H]([NH3+])[C@H]2C)nn1	ZINC001552088578	930069427	/nfs/dbraw/zinc/06/94/27/930069427.db2.gz	UZMXHFNRGULIJW-PRULPYPASA-N	2	0	308.386	-1.072	20	0		DAADRP
CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)NCC2([NH3+])CCC2)nn1	ZINC001552161270	930069766	/nfs/dbraw/zinc/06/97/66/930069766.db2.gz	LGCNINQPVKAQFM-JQWIXIFHSA-N	2	0	308.386	-1.023	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCC[NH2+]CC2)nn1	ZINC001552163239	930070090	/nfs/dbraw/zinc/07/00/90/930070090.db2.gz	WKJOLCCULNOXQZ-WCQYABFASA-N	2	0	308.386	-1.198	20	0		DAADRP
CN(CCN1CC[NH2+]CC1)C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1	ZINC001552162971	930071008	/nfs/dbraw/zinc/07/10/08/930071008.db2.gz	HZOXOPCAQPDRNB-GFCCVEGCSA-N	2	0	307.402	-1.210	20	0		DAADRP
CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC[NH2+]CC2)nn1	ZINC001552163240	930071127	/nfs/dbraw/zinc/07/11/27/930071127.db2.gz	WKJOLCCULNOXQZ-YPMHNXCESA-N	2	0	308.386	-1.198	20	0		DAADRP
O=C(CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[NH2+]CC1	ZINC001552163741	930071373	/nfs/dbraw/zinc/07/13/73/930071373.db2.gz	UXGHFFJFJOMVCY-SNVBAGLBSA-N	2	0	307.358	-2.026	20	0		DAADRP
O=C(CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)N1CC[NH2+]CC1	ZINC001552163740	930071556	/nfs/dbraw/zinc/07/15/56/930071556.db2.gz	UXGHFFJFJOMVCY-JTQLQIEISA-N	2	0	307.358	-2.026	20	0		DAADRP
O=C(CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1	ZINC001552418531	930072349	/nfs/dbraw/zinc/07/23/49/930072349.db2.gz	CBCZVAHAZXLBFM-JTQLQIEISA-N	2	0	306.370	-1.352	20	0		DAADRP
Cc1c(C(=O)N2CCN(C)C[C@@H]2C[NH3+])nnn1[C@@H]1CC[NH2+]C1	ZINC001552420690	930072721	/nfs/dbraw/zinc/07/27/21/930072721.db2.gz	ZBQPAJWNHGJRJR-NEPJUHHUSA-N	2	0	307.402	-1.164	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@H]([NH3+])C[C@@H]2C)nn1	ZINC001552256576	930072981	/nfs/dbraw/zinc/07/29/81/930072981.db2.gz	GYSVHYVCENQZCU-SBFPOUOMSA-N	2	0	308.386	-1.072	20	0		DAADRP
Cc1c(C(=O)N2CCO[C@@H]3C[NH2+]C[C@H]32)nnn1[C@@H]1CC[NH2+]C1	ZINC001552442271	930073466	/nfs/dbraw/zinc/07/34/66/930073466.db2.gz	PDAFLFXAYLGJBK-IJLUTSLNSA-N	2	0	306.370	-1.066	20	0		DAADRP
C[N@@H+]1CC[C@]2(C(=O)NCC(=O)N3CC[NH2+]CC3)C[NH2+]C[C@H]2C1	ZINC001553349158	930075717	/nfs/dbraw/zinc/07/57/17/930075717.db2.gz	CXCSUQDKTCXDQU-WFASDCNBSA-N	3	0	309.414	-1.924	20	0		DAADRP
[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2COCC3)C1	ZINC001553360231	930075763	/nfs/dbraw/zinc/07/57/63/930075763.db2.gz	VUWJMEJXRXKRDV-XJKCOSOUSA-N	2	0	324.425	-1.074	20	0		DAADRP
[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1	ZINC001553401076	930076720	/nfs/dbraw/zinc/07/67/20/930076720.db2.gz	FKXLPVQULLRUNS-MROQNXINSA-N	2	0	310.398	-1.181	20	0		DAADRP
CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2	ZINC000394460421	545644924	/nfs/dbraw/zinc/64/49/24/545644924.db2.gz	QAOUENYHQKSYES-JSGCOSHPSA-N	2	0	311.430	-1.408	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C	ZINC000419365492	545765177	/nfs/dbraw/zinc/76/51/77/545765177.db2.gz	XMKLWVHAWQKFER-NWDGAFQWSA-N	2	0	300.403	-1.205	20	0		DAADRP
C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O	ZINC000642718570	372787734	/nfs/dbraw/zinc/78/77/34/372787734.db2.gz	ZWKRJOBCNVPWIS-BQUFFADESA-N	2	0	310.398	-1.624	20	0		DAADRP
CN1C(=O)CN(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O	ZINC000625290760	372789420	/nfs/dbraw/zinc/78/94/20/372789420.db2.gz	VOBAWJGHJOZJOC-UHFFFAOYSA-N	2	0	313.402	-1.168	20	0		DAADRP
CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1	ZINC000383822117	372781713	/nfs/dbraw/zinc/78/17/13/372781713.db2.gz	QZWCMPNONIDZDT-LLVKDONJSA-N	2	0	306.432	-1.335	20	0		DAADRP
C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@H+](C)C1CC1	ZINC000642773402	372799548	/nfs/dbraw/zinc/79/95/48/372799548.db2.gz	WDTWLYQVFHRAMG-YPMHNXCESA-N	2	0	311.430	-1.313	20	0		DAADRP
CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)[C@H](C[NH3+])C1	ZINC000583434834	372866765	/nfs/dbraw/zinc/86/67/65/372866765.db2.gz	FSPMACRUXZSQOI-CJNGLKHVSA-N	2	0	323.441	-1.358	20	0		DAADRP
CN(CC(=O)N1CCN(C)CC1)[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000562362771	372879157	/nfs/dbraw/zinc/87/91/57/372879157.db2.gz	QTFDCESCQKLRAV-GFCCVEGCSA-N	2	0	318.443	-1.274	20	0		DAADRP
CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+]	ZINC000562822553	372885422	/nfs/dbraw/zinc/88/54/22/372885422.db2.gz	APMHBJFUHZIYOJ-CYBMUJFWSA-N	2	0	313.446	-1.064	20	0		DAADRP
CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+]	ZINC000562822556	372885559	/nfs/dbraw/zinc/88/55/59/372885559.db2.gz	APMHBJFUHZIYOJ-ZDUSSCGKSA-N	2	0	313.446	-1.064	20	0		DAADRP
CN1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)[C@H](C[NH3+])C1	ZINC000569919315	372905783	/nfs/dbraw/zinc/90/57/83/372905783.db2.gz	ZAAVZUUDXLCSAV-UONOGXRCSA-N	2	0	321.425	-1.440	20	0		DAADRP
COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1	ZINC000592557238	372974815	/nfs/dbraw/zinc/97/48/15/372974815.db2.gz	XBSPETJZXWNSBB-WDEREUQCSA-N	2	0	312.370	-1.782	20	0		DAADRP
C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1	ZINC000595993578	373010951	/nfs/dbraw/zinc/01/09/51/373010951.db2.gz	SCVJXMIGDNABPG-GRYCIOLGSA-N	2	0	323.397	-2.081	20	0		DAADRP
C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1	ZINC000595993583	373010836	/nfs/dbraw/zinc/01/08/36/373010836.db2.gz	SCVJXMIGDNABPG-IJLUTSLNSA-N	2	0	323.397	-2.081	20	0		DAADRP
COC(=O)C1CC[NH+](CCCNc2nc(N)[nH+]c(N)n2)CC1	ZINC000599020236	373034921	/nfs/dbraw/zinc/03/49/21/373034921.db2.gz	SCFXPQUHWRPGPJ-UHFFFAOYSA-N	2	0	309.374	-1.194	20	0		DAADRP
CC1(C)CN(C(=O)NCCN2CC[NH2+]CC2)CC[N@@H+]1CCO	ZINC000637039227	373073709	/nfs/dbraw/zinc/07/37/09/373073709.db2.gz	WFUHBLBTYHRCBG-UHFFFAOYSA-N	2	0	313.446	-1.010	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)CC1=O	ZINC000571332108	373145324	/nfs/dbraw/zinc/14/53/24/373145324.db2.gz	WDVHLLFVRIQOIX-MGPQQGTHSA-N	2	0	324.425	-1.014	20	0		DAADRP
O=C(CN1CC[NH2+]CC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000638219726	373210608	/nfs/dbraw/zinc/21/06/08/373210608.db2.gz	KTYNFEXCVVMUQB-NSHDSACASA-N	2	0	323.363	-1.156	20	0		DAADRP
COCC[N@@H+]1CCCN(C(=O)[C@@H](C)N2CCNCC2=O)CC1	ZINC000638275448	373210731	/nfs/dbraw/zinc/21/07/31/373210731.db2.gz	SEOWIFJIQXAVRP-CYBMUJFWSA-N	2	0	312.414	-1.013	20	0		DAADRP
COCC[N@@H+]1CCCN(C(=O)[C@H](C)N2CCNCC2=O)CC1	ZINC000638275449	373212233	/nfs/dbraw/zinc/21/22/33/373212233.db2.gz	SEOWIFJIQXAVRP-ZDUSSCGKSA-N	2	0	312.414	-1.013	20	0		DAADRP
COCC[NH2+]CC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000638476777	373221557	/nfs/dbraw/zinc/22/15/57/373221557.db2.gz	KOQFPUXXEJNOFD-UHFFFAOYSA-N	2	0	313.402	-1.608	20	0		DAADRP
O[C@@H]1C[NH+](Cc2cccc(C[NH+]3C[C@H](O)[C@@H](O)C3)c2)C[C@H]1O	ZINC000278628849	373187734	/nfs/dbraw/zinc/18/77/34/373187734.db2.gz	GHISCPQVHGOBRV-RUPPMWDTSA-N	2	0	308.378	-1.239	20	0		DAADRP
O[C@@H]1C[NH+](Cc2ccc(C[N@@H+]3C[C@@H](O)[C@@H](O)C3)cc2)C[C@H]1O	ZINC000278708284	373191066	/nfs/dbraw/zinc/19/10/66/373191066.db2.gz	KBDWGVGZJWIHMF-FPCVCCKLSA-N	2	0	308.378	-1.239	20	0		DAADRP
NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2	ZINC000638495296	373225696	/nfs/dbraw/zinc/22/56/96/373225696.db2.gz	JRUPFKYPSSNLMK-HUBLWGQQSA-N	2	0	310.398	-1.322	20	0		DAADRP
C[NH2+]CCOCCN(C)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1	ZINC000638591569	373232877	/nfs/dbraw/zinc/23/28/77/373232877.db2.gz	JVYLUTDBQBHOSM-LBPRGKRZSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)NCCOCCC[NH3+])CC1=O	ZINC000638660261	373234966	/nfs/dbraw/zinc/23/49/66/373234966.db2.gz	BXDIZXLTGKSYIX-LBPRGKRZSA-N	2	0	300.403	-1.122	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000638676513	373236304	/nfs/dbraw/zinc/23/63/04/373236304.db2.gz	XJSHCSODYKMVNL-LBPRGKRZSA-N	2	0	300.403	-1.170	20	0		DAADRP
CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+]	ZINC000571985905	373329166	/nfs/dbraw/zinc/32/91/66/373329166.db2.gz	LFWPQMNGUKYBFG-OLZOCXBDSA-N	2	0	313.446	-1.066	20	0		DAADRP
COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C1	ZINC000627386680	373316713	/nfs/dbraw/zinc/31/67/13/373316713.db2.gz	UZADZJRBYYHJRH-LBPRGKRZSA-N	2	0	316.402	-1.743	20	0		DAADRP
COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1	ZINC000567111344	373317720	/nfs/dbraw/zinc/31/77/20/373317720.db2.gz	WNTUUNLPJXJSSM-LLVKDONJSA-N	2	0	314.386	-1.547	20	0		DAADRP
CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1	ZINC000419288678	373319261	/nfs/dbraw/zinc/31/92/61/373319261.db2.gz	RVGSYGWZEKDSMF-LBPRGKRZSA-N	2	0	300.403	-1.061	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C	ZINC000419365485	373320629	/nfs/dbraw/zinc/32/06/29/373320629.db2.gz	XMKLWVHAWQKFER-NEPJUHHUSA-N	2	0	300.403	-1.205	20	0		DAADRP
C[NH2+]CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1	ZINC000419879081	373323670	/nfs/dbraw/zinc/32/36/70/373323670.db2.gz	SKMRHQXGZUGLAF-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
O=C(C(=O)N1CC[NH+](CC2CCOCC2)CC1)N1CC[NH2+]CC1	ZINC000423305669	373344539	/nfs/dbraw/zinc/34/45/39/373344539.db2.gz	CAQPTGPFJKKXHO-UHFFFAOYSA-N	2	0	324.425	-1.011	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21	ZINC000629805355	373408781	/nfs/dbraw/zinc/40/87/81/373408781.db2.gz	YNACDKXILMMJCY-OLZOCXBDSA-N	2	0	312.414	-1.027	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1=O	ZINC000629913578	373413107	/nfs/dbraw/zinc/41/31/07/373413107.db2.gz	LLISRGCUCCIGHN-OLZOCXBDSA-N	2	0	312.414	-1.421	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1	ZINC000629819326	373414134	/nfs/dbraw/zinc/41/41/34/373414134.db2.gz	JYGOWKCOEYOZJW-OAHLLOKOSA-N	2	0	312.414	-1.026	20	0		DAADRP
CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+])CC1	ZINC000629579728	373400257	/nfs/dbraw/zinc/40/02/57/373400257.db2.gz	QDVVGCAHRUQAAK-GFCCVEGCSA-N	2	0	300.403	-1.027	20	0		DAADRP
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])C1	ZINC000642222693	373438911	/nfs/dbraw/zinc/43/89/11/373438911.db2.gz	VZJKANLVHYZVSS-VXGBXAGGSA-N	2	0	300.403	-1.077	20	0		DAADRP
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])C1	ZINC000642222692	373439340	/nfs/dbraw/zinc/43/93/40/373439340.db2.gz	VZJKANLVHYZVSS-RYUDHWBXSA-N	2	0	300.403	-1.077	20	0		DAADRP
COC[C@]1(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)CCC[NH2+]1	ZINC000631936429	373441894	/nfs/dbraw/zinc/44/18/94/373441894.db2.gz	BVYMNJSNVLMHFM-VXGBXAGGSA-N	2	0	307.416	-1.337	20	0		DAADRP
C[NH2+]CCOCCNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1	ZINC000627171666	373457093	/nfs/dbraw/zinc/45/70/93/373457093.db2.gz	GITWHXJFDUVPFW-GFCCVEGCSA-N	2	0	315.418	-1.281	20	0		DAADRP
C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCN2C)C[C@H](C)[N@H+]1CCO	ZINC000567249291	373534526	/nfs/dbraw/zinc/53/45/26/373534526.db2.gz	PGONXYXNXZWPHO-HZSPNIEDSA-N	2	0	313.446	-1.014	20	0		DAADRP
Cn1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1	ZINC000553874096	373510903	/nfs/dbraw/zinc/51/09/03/373510903.db2.gz	ALKWUXXXPXROTM-UHFFFAOYSA-N	2	0	324.429	-1.012	20	0		DAADRP
COC[C@]1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC[NH2+]C1	ZINC000564796398	373514532	/nfs/dbraw/zinc/51/45/32/373514532.db2.gz	GAXHIKDIWXSVEG-DOMZBBRYSA-N	2	0	312.414	-1.074	20	0		DAADRP
CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1	ZINC000565727016	373521536	/nfs/dbraw/zinc/52/15/36/373521536.db2.gz	AFTPOZBDRIIXEF-TUAOUCFPSA-N	2	0	310.402	-2.157	20	0		DAADRP
CCS(=O)(=O)NCCC[N@H+](C)CC(=O)N1CC[NH2+]CC1	ZINC000566244710	373526972	/nfs/dbraw/zinc/52/69/72/373526972.db2.gz	XYGPRGPLYDBPJO-UHFFFAOYSA-N	2	0	306.432	-1.321	20	0		DAADRP
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)C[C@@H](O)C[NH3+])C1	ZINC000566302761	373528357	/nfs/dbraw/zinc/52/83/57/373528357.db2.gz	UIHJXVKXJGRWOO-UONOGXRCSA-N	3	0	316.446	-1.289	20	0		DAADRP
O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1	ZINC000566610374	373531158	/nfs/dbraw/zinc/53/11/58/373531158.db2.gz	QSXZASGNQQGUKL-UHFFFAOYSA-N	2	0	323.397	-2.159	20	0		DAADRP
C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCN2C)C[C@H](C)[N@H+]1CCO	ZINC000567249292	373533917	/nfs/dbraw/zinc/53/39/17/373533917.db2.gz	PGONXYXNXZWPHO-MJBXVCDLSA-N	2	0	313.446	-1.014	20	0		DAADRP
C[C@H](C[NH3+])CNC(=O)C[C@@]1(C(=O)NC[C@H](C)C[NH3+])CC[NH2+]C1	ZINC000578750622	373584044	/nfs/dbraw/zinc/58/40/44/373584044.db2.gz	UQTFIMNUCFHLIO-JMSVASOKSA-N	3	0	313.446	-1.222	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1	ZINC000578788029	373586563	/nfs/dbraw/zinc/58/65/63/373586563.db2.gz	ILNOSQQRKMXDHV-NEPJUHHUSA-N	2	0	313.402	-1.482	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1	ZINC000578788031	373587099	/nfs/dbraw/zinc/58/70/99/373587099.db2.gz	ILNOSQQRKMXDHV-RYUDHWBXSA-N	2	0	313.402	-1.482	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(F)(F)CN	ZINC000580883243	373597203	/nfs/dbraw/zinc/59/72/03/373597203.db2.gz	CCVNVFMUQCFARM-UHFFFAOYSA-N	2	0	323.388	-1.352	20	0		DAADRP
CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+]	ZINC000568235194	373541637	/nfs/dbraw/zinc/54/16/37/373541637.db2.gz	JPUJRKFCQLNKQI-ZDUSSCGKSA-N	2	0	313.446	-1.064	20	0		DAADRP
CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[C@H](C[NH3+])C1	ZINC000568373620	373544528	/nfs/dbraw/zinc/54/45/28/373544528.db2.gz	OVUIEYBKOBQGIJ-WCQYABFASA-N	2	0	309.414	-1.559	20	0		DAADRP
CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[C@@H](C[NH3+])C1	ZINC000568373618	373544567	/nfs/dbraw/zinc/54/45/67/373544567.db2.gz	OVUIEYBKOBQGIJ-AAEUAGOBSA-N	2	0	309.414	-1.559	20	0		DAADRP
[NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1	ZINC000573724120	373555693	/nfs/dbraw/zinc/55/56/93/373555693.db2.gz	RDXNJVCSXVCAAC-ZDUSSCGKSA-N	3	0	311.430	-1.405	20	0		DAADRP
O=C(NCCN1CC[NH2+]CC1)C1(n2cccn2)CC[NH2+]CC1	ZINC000579712512	373595386	/nfs/dbraw/zinc/59/53/86/373595386.db2.gz	PHCJBFFRQUGLBO-UHFFFAOYSA-N	2	0	306.414	-1.017	20	0		DAADRP
COCC[N@H+](C)C[C@H](O)CN1CCC[C@H](CS(N)(=O)=O)C1	ZINC000573742592	373556318	/nfs/dbraw/zinc/55/63/18/373556318.db2.gz	ZBUPNYMVEHLLTF-STQMWFEESA-N	2	0	323.459	-1.074	20	0		DAADRP
O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC(=O)N1CC[NH2+]CC1	ZINC000573919190	373556574	/nfs/dbraw/zinc/55/65/74/373556574.db2.gz	CKZRSCVWTKBQJP-LLVKDONJSA-N	2	0	311.386	-2.207	20	0		DAADRP
CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1	ZINC000574278913	373559553	/nfs/dbraw/zinc/55/95/53/373559553.db2.gz	LZCNMSSWBFDKJV-JSGCOSHPSA-N	2	0	311.430	-1.408	20	0		DAADRP
CCN1CCN(C(=O)CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1	ZINC000576758184	373571577	/nfs/dbraw/zinc/57/15/77/373571577.db2.gz	GSJZMQKEWTYSMM-CQSZACIVSA-N	2	0	323.441	-1.343	20	0		DAADRP
O=C(COC1C[NH2+]C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000577176577	373573797	/nfs/dbraw/zinc/57/37/97/373573797.db2.gz	TUUOFFFXKZZILY-LBPRGKRZSA-N	2	0	310.398	-1.355	20	0		DAADRP
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC000627294547	373633343	/nfs/dbraw/zinc/63/33/43/373633343.db2.gz	DAEYSKSNZSXZHT-VXGBXAGGSA-N	2	0	300.403	-1.063	20	0		DAADRP
CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1	ZINC000627302628	373638745	/nfs/dbraw/zinc/63/87/45/373638745.db2.gz	TYCOVJLQHVJESK-CYBMUJFWSA-N	2	0	312.414	-1.061	20	0		DAADRP
C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1	ZINC000627308387	373643940	/nfs/dbraw/zinc/64/39/40/373643940.db2.gz	OJMBEENARAWTHN-QWHCGFSZSA-N	2	0	312.414	-1.061	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1	ZINC000621839288	373648000	/nfs/dbraw/zinc/64/80/00/373648000.db2.gz	QNJMUNDZEXXMMU-XJKCOSOUSA-N	2	0	323.441	-1.312	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1	ZINC000621839286	373649110	/nfs/dbraw/zinc/64/91/10/373649110.db2.gz	QNJMUNDZEXXMMU-IOASZLSFSA-N	2	0	323.441	-1.312	20	0		DAADRP
C[NH+]1CCN(c2ccc(NC(=O)CNC(=O)C[NH3+])cn2)CC1	ZINC000580772233	373597686	/nfs/dbraw/zinc/59/76/86/373597686.db2.gz	XQQPBJIEPHLZFO-UHFFFAOYSA-N	2	0	306.370	-1.153	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN([C@H]2CC[NH2+]C2)CC1	ZINC000580891255	373597760	/nfs/dbraw/zinc/59/77/60/373597760.db2.gz	IRKGOIAVIBRRII-STQMWFEESA-N	2	0	309.414	-1.639	20	0		DAADRP
C[C@H](NC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C1CC[NH+](C)CC1	ZINC000627352585	373656193	/nfs/dbraw/zinc/65/61/93/373656193.db2.gz	BGAYPOJGSQHZDW-AAEUAGOBSA-N	2	0	312.414	-1.063	20	0		DAADRP
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC000627349671	373656250	/nfs/dbraw/zinc/65/62/50/373656250.db2.gz	VVLVGOCLHQWPQO-NTZNESFSSA-N	2	0	310.398	-1.310	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nc(N)[nH+]c(N)n2)CC1	ZINC000624042292	373664652	/nfs/dbraw/zinc/66/46/52/373664652.db2.gz	YHRTYPUZVSGDRY-SECBINFHSA-N	2	0	306.374	-1.560	20	0		DAADRP
CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC000627365688	373670392	/nfs/dbraw/zinc/67/03/92/373670392.db2.gz	WTMWLVDOORPLJW-NEPJUHHUSA-N	2	0	300.403	-1.063	20	0		DAADRP
O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000627470551	373681977	/nfs/dbraw/zinc/68/19/77/373681977.db2.gz	UMIYLHIBYJIOEK-STQMWFEESA-N	2	0	310.398	-1.212	20	0		DAADRP
O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000627470549	373682238	/nfs/dbraw/zinc/68/22/38/373682238.db2.gz	UMIYLHIBYJIOEK-OLZOCXBDSA-N	2	0	310.398	-1.212	20	0		DAADRP
CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC000627470473	373682381	/nfs/dbraw/zinc/68/23/81/373682381.db2.gz	STSVUYKEGFHSFI-CHWSQXEVSA-N	2	0	312.414	-1.109	20	0		DAADRP
O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000627470548	373682616	/nfs/dbraw/zinc/68/26/16/373682616.db2.gz	UMIYLHIBYJIOEK-CHWSQXEVSA-N	2	0	310.398	-1.212	20	0		DAADRP
CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1	ZINC000627475677	373684377	/nfs/dbraw/zinc/68/43/77/373684377.db2.gz	RYDBCKSIWMXRKY-QWHCGFSZSA-N	2	0	312.414	-1.061	20	0		DAADRP
O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC000631937748	373703942	/nfs/dbraw/zinc/70/39/42/373703942.db2.gz	ZIFXGYDLGBVKCE-STQMWFEESA-N	2	0	318.443	-1.716	20	0		DAADRP
O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC000631937746	373704257	/nfs/dbraw/zinc/70/42/57/373704257.db2.gz	ZIFXGYDLGBVKCE-OLZOCXBDSA-N	2	0	318.443	-1.716	20	0		DAADRP
CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2	ZINC000633093674	373728323	/nfs/dbraw/zinc/72/83/23/373728323.db2.gz	VXRPATRMGGGORI-KBPBESRZSA-N	2	0	323.441	-1.345	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1	ZINC000419349660	269709155	/nfs/dbraw/zinc/70/91/55/269709155.db2.gz	DPGLDGOLRGJGAP-GFCCVEGCSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCOCC[NH+](C)C)C[NH2+]1	ZINC000627394130	545829024	/nfs/dbraw/zinc/82/90/24/545829024.db2.gz	XWRUYKMAFFAZST-VXGBXAGGSA-N	2	0	300.403	-1.063	20	0		DAADRP
C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1	ZINC001193487507	782008005	/nfs/dbraw/zinc/00/80/05/782008005.db2.gz	AHLIJIQYBJCZKG-NWDGAFQWSA-N	2	0	300.403	-1.029	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1=O	ZINC000655297541	409329063	/nfs/dbraw/zinc/32/90/63/409329063.db2.gz	LNPOBDPWXNYNEY-MELADBBJSA-N	2	0	324.425	-1.326	20	0		DAADRP
[NH3+][C@H]1CCCCN(CC(=O)NCC(=O)N2CC[NH2+]CC2)C1=O	ZINC000647689838	409370117	/nfs/dbraw/zinc/37/01/17/409370117.db2.gz	BNNYSBULKWFXDH-NSHDSACASA-N	2	0	311.386	-2.126	20	0		DAADRP
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC[N@@H+]1CC[C@H](O)C1	ZINC000636746305	409385374	/nfs/dbraw/zinc/38/53/74/409385374.db2.gz	GPNRJIZTIWPAGC-KBPBESRZSA-N	2	0	313.446	-1.012	20	0		DAADRP
COC(=O)[C@H]1CN(CC(=O)N2CCN(C)CC2)CC[N@H+](C)C1	ZINC000411901280	409398254	/nfs/dbraw/zinc/39/82/54/409398254.db2.gz	GFPYNYSRQCOPBV-CYBMUJFWSA-N	2	0	312.414	-1.203	20	0		DAADRP
C[NH+](C)CCN1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1=O	ZINC000652734544	409408152	/nfs/dbraw/zinc/40/81/52/409408152.db2.gz	OGEPPRRXLJWRBN-CQSZACIVSA-N	2	0	323.441	-1.391	20	0		DAADRP
CO[C@H]1C[C@@H](C(=O)N(C)C[C@@H](O)CN2CCOCC2)[N@H+](C)C1	ZINC000330542263	409420632	/nfs/dbraw/zinc/42/06/32/409420632.db2.gz	AIHWERKGISAIBK-RDBSUJKOSA-N	2	0	315.414	-1.143	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NCC(=O)NCCN1CCOCC1	ZINC000347907255	409449430	/nfs/dbraw/zinc/44/94/30/409449430.db2.gz	XOSSJGPMDMQDJB-UHFFFAOYSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[C@@H]1CN(C(=O)NCCN2CC[NH2+]CC2)C[C@H](C)[N@H+]1CCO	ZINC000333860701	409467464	/nfs/dbraw/zinc/46/74/64/409467464.db2.gz	RZGDQFXQOYGAJD-OKILXGFUSA-N	2	0	313.446	-1.012	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1	ZINC000355151318	409483151	/nfs/dbraw/zinc/48/31/51/409483151.db2.gz	SUXKXFXOIIZJLO-GXTWGEPZSA-N	2	0	323.441	-1.299	20	0		DAADRP
C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C	ZINC000355302975	409482113	/nfs/dbraw/zinc/48/21/13/409482113.db2.gz	WJFUPJGWFHHDRD-CHWSQXEVSA-N	2	0	313.446	-1.195	20	0		DAADRP
O=C(C[NH2+]C[C@H]1CCCO1)Nc1nc(N2CC[NH2+]CC2)n[nH]1	ZINC000516180487	409556718	/nfs/dbraw/zinc/55/67/18/409556718.db2.gz	YKEISLMQNSLUMS-SNVBAGLBSA-N	2	0	309.374	-1.079	20	0		DAADRP
CCNC(=O)CN1CCCN(C(=O)[C@H]2CN(C)CCO2)CC1	ZINC000361452132	409510187	/nfs/dbraw/zinc/51/01/87/409510187.db2.gz	MHWXPNFSABTWHE-CYBMUJFWSA-N	2	0	312.414	-1.013	20	0		DAADRP
O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1C[NH2+]CCO1	ZINC000374619226	409520162	/nfs/dbraw/zinc/52/01/62/409520162.db2.gz	NRPUDDXJVUCJAG-VHSXEESVSA-N	2	0	310.320	-1.073	20	0		DAADRP
COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1	ZINC000659706605	409526969	/nfs/dbraw/zinc/52/69/69/409526969.db2.gz	NRPKEQGQOQXBFB-AVERBVTBSA-N	2	0	310.398	-1.227	20	0		DAADRP
C[NH2+]CCNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000659712746	409528279	/nfs/dbraw/zinc/52/82/79/409528279.db2.gz	KLKPGVXXAUZEAE-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
COC(=O)CCN(C)S(=O)(=O)N(CCC[NH3+])CCC[NH3+]	ZINC000420463521	409539773	/nfs/dbraw/zinc/53/97/73/409539773.db2.gz	WONPPQUMVMAAAL-UHFFFAOYSA-N	2	0	310.420	-1.274	20	0		DAADRP
C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000430621232	409570936	/nfs/dbraw/zinc/57/09/36/409570936.db2.gz	CLJKZDAWGPUXSE-QWRGUYRKSA-N	2	0	311.386	-1.286	20	0		DAADRP
CS(=O)(=O)NCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000430617781	409570953	/nfs/dbraw/zinc/57/09/53/409570953.db2.gz	OYINJWYQYXFKIS-GFCCVEGCSA-N	2	0	318.443	-1.321	20	0		DAADRP
[NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1	ZINC000430600650	409571405	/nfs/dbraw/zinc/57/14/05/409571405.db2.gz	BRAOTTRHIWEDJF-LLVKDONJSA-N	2	0	311.386	-2.268	20	0		DAADRP
CS(=O)(=O)NCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000430617782	409571815	/nfs/dbraw/zinc/57/18/15/409571815.db2.gz	OYINJWYQYXFKIS-LBPRGKRZSA-N	2	0	318.443	-1.321	20	0		DAADRP
C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000430621233	409571863	/nfs/dbraw/zinc/57/18/63/409571863.db2.gz	CLJKZDAWGPUXSE-WDEREUQCSA-N	2	0	311.386	-1.286	20	0		DAADRP
CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C1	ZINC000659711384	409692228	/nfs/dbraw/zinc/69/22/28/409692228.db2.gz	XMAQBJCIDRMQJI-ZDUSSCGKSA-N	2	0	311.430	-1.392	20	0		DAADRP
C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCN1CCOCC1(C)C	ZINC000659751273	409698116	/nfs/dbraw/zinc/69/81/16/409698116.db2.gz	FXPVXXJYSJSEPF-LLVKDONJSA-N	2	0	300.403	-1.063	20	0		DAADRP
CC[NH+]1CCC(NC(=O)CN(CC[NH3+])C[C@@H](O)CO)CC1	ZINC000662287583	409708943	/nfs/dbraw/zinc/70/89/43/409708943.db2.gz	CZECWMXGGSWFGR-CYBMUJFWSA-N	2	0	302.419	-1.799	20	0		DAADRP
C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CCO1	ZINC000649274891	409654825	/nfs/dbraw/zinc/65/48/25/409654825.db2.gz	ZEPXENDVACGBQY-YNEHKIRRSA-N	2	0	312.414	-1.029	20	0		DAADRP
CC[NH+]1CCC(NC(=O)CN(CC[NH3+])C[C@H](O)CO)CC1	ZINC000662287584	409711350	/nfs/dbraw/zinc/71/13/50/409711350.db2.gz	CZECWMXGGSWFGR-ZDUSSCGKSA-N	2	0	302.419	-1.799	20	0		DAADRP
Cn1cnnc1N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1	ZINC000655947684	409674991	/nfs/dbraw/zinc/67/49/91/409674991.db2.gz	VMJCUQVXYYQWFK-UHFFFAOYSA-N	2	0	307.402	-1.241	20	0		DAADRP
CN(CCC[NH+](C)C)CCNS(=O)(=O)c1cnnn1C	ZINC000657091639	409678495	/nfs/dbraw/zinc/67/84/95/409678495.db2.gz	NOQWJWZWLGBFLJ-UHFFFAOYSA-N	2	0	304.420	-1.023	20	0		DAADRP
C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1	ZINC000659689717	409688174	/nfs/dbraw/zinc/68/81/74/409688174.db2.gz	IUMIMBHCWNZMGY-GFCCVEGCSA-N	2	0	313.446	-1.147	20	0		DAADRP
COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1	ZINC000659699761	409688344	/nfs/dbraw/zinc/68/83/44/409688344.db2.gz	VMRUPICDAARCRC-VXGBXAGGSA-N	2	0	318.393	-1.031	20	0		DAADRP
COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1	ZINC000659707284	409688586	/nfs/dbraw/zinc/68/85/86/409688586.db2.gz	UFPUTBYTLGTGPK-QJPTWQEYSA-N	2	0	316.377	-1.279	20	0		DAADRP
C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000659709751	409689815	/nfs/dbraw/zinc/68/98/15/409689815.db2.gz	LNSLBWDCNHTDHE-QWHCGFSZSA-N	2	0	313.446	-1.290	20	0		DAADRP
C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000659688645	409690543	/nfs/dbraw/zinc/69/05/43/409690543.db2.gz	DPTJCNWLWHWTCJ-GFCCVEGCSA-N	2	0	313.446	-1.147	20	0		DAADRP
CN(CC[NH3+])C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000662960085	409721878	/nfs/dbraw/zinc/72/18/78/409721878.db2.gz	MADKOGMGBCDEMW-GFCCVEGCSA-N	2	0	300.403	-1.027	20	0		DAADRP
C[NH+]1CCN(c2ccc(CNC(=O)C3(O)C[NH2+]C3)cn2)CC1	ZINC000662757341	409717583	/nfs/dbraw/zinc/71/75/83/409717583.db2.gz	LMQPWPKORDRRRG-UHFFFAOYSA-N	2	0	305.382	-1.216	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)CC1=O	ZINC000673524553	545866468	/nfs/dbraw/zinc/86/64/68/545866468.db2.gz	YPDMFMAQNJBUJX-NWDGAFQWSA-N	2	0	300.403	-1.565	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1	ZINC000354695859	262568463	/nfs/dbraw/zinc/56/84/63/262568463.db2.gz	RUOJAOQFZIZDSP-LBPRGKRZSA-N	2	0	300.403	-1.061	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C	ZINC000419352002	263218685	/nfs/dbraw/zinc/21/86/85/263218685.db2.gz	IGRLPCFVIDQCAN-RYUDHWBXSA-N	2	0	300.403	-1.124	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C[NH3+])C1CC1	ZINC000420024098	263221793	/nfs/dbraw/zinc/22/17/93/263221793.db2.gz	AFPAWKJPOSIMPR-GFCCVEGCSA-N	2	0	300.403	-1.124	20	0		DAADRP
CC(C)[C@@H](C[NH3+])C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1	ZINC000424040983	263225248	/nfs/dbraw/zinc/22/52/48/263225248.db2.gz	MUJBYYPEXLVRRF-GFCCVEGCSA-N	2	0	318.443	-1.337	20	0		DAADRP
C[C@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)N1CCN(C)CC1	ZINC000520647652	263228805	/nfs/dbraw/zinc/22/88/05/263228805.db2.gz	YQNQJFCICAUYSD-QWHCGFSZSA-N	2	0	313.446	-1.195	20	0		DAADRP
C[C@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)CC[NH2+]1	ZINC000332444349	263230141	/nfs/dbraw/zinc/23/01/41/263230141.db2.gz	BUIKWLPYUHCJMU-KBPBESRZSA-N	2	0	324.425	-1.013	20	0		DAADRP
C[C@H](O)C[N@@H+]1CCN(C(=O)NCCN2CC[NH2+]CC2)[C@H](C)C1	ZINC000333819408	263234309	/nfs/dbraw/zinc/23/43/09/263234309.db2.gz	KQTHMBVYVXQDJM-KGLIPLIRSA-N	2	0	313.446	-1.012	20	0		DAADRP
CN1CCN(C(=O)CN2CCC[C@H]2CS(N)(=O)=O)CC1	ZINC000408088564	263236640	/nfs/dbraw/zinc/23/66/40/263236640.db2.gz	KADQKLQDFXHFMY-NSHDSACASA-N	2	0	304.416	-1.487	20	0		DAADRP
CNS(=O)(=O)CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000526152963	263237449	/nfs/dbraw/zinc/23/74/49/263237449.db2.gz	NVRNDFCFFBZMDD-UHFFFAOYSA-N	2	0	323.463	-1.330	20	0		DAADRP
Cn1c(CN2CCN([C@@H]3CC[NH2+]C3)CC2)cc(=O)n(C)c1=O	ZINC000262527479	263238917	/nfs/dbraw/zinc/23/89/17/263238917.db2.gz	PCPMXJRWXCTRMM-GFCCVEGCSA-N	2	0	307.398	-1.437	20	0		DAADRP
C[C@H](O)CN1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1	ZINC000423681651	263246026	/nfs/dbraw/zinc/24/60/26/263246026.db2.gz	OGSVCRSJCMNQMF-UPJWGTAASA-N	2	0	312.414	-1.280	20	0		DAADRP
COC(=O)CCN1CCN(C(=O)C(=O)NCC[NH3+])[C@@H](C)C1	ZINC000419815392	263251202	/nfs/dbraw/zinc/25/12/02/263251202.db2.gz	JEWIVLWSCWGRTH-JTQLQIEISA-N	2	0	300.359	-1.843	20	0		DAADRP
C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C2([NH3+])CC2)CC1	ZINC000167567850	263262348	/nfs/dbraw/zinc/26/23/48/263262348.db2.gz	SOIDZTLWRQRQES-LBPRGKRZSA-N	2	0	310.398	-1.131	20	0		DAADRP
C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[NH2+]CC2)CCSC1	ZINC000419581282	263266800	/nfs/dbraw/zinc/26/68/00/263266800.db2.gz	JIDVPUWWHBOITQ-CYBMUJFWSA-N	2	0	300.428	-1.028	20	0		DAADRP
C[C@H](C[NH3+])CNC(=O)C(=O)NCCN1CCOCC1(C)C	ZINC000419938273	263276582	/nfs/dbraw/zinc/27/65/82/263276582.db2.gz	HQZQODMKIJYKPA-LLVKDONJSA-N	2	0	300.403	-1.076	20	0		DAADRP
CN1CCN(C(=O)CC[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)CC1	ZINC000367226089	263277166	/nfs/dbraw/zinc/27/71/66/263277166.db2.gz	TXUKJPBGMKEAOZ-CHWSQXEVSA-N	2	0	310.398	-1.260	20	0		DAADRP
C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1CN(C)CCO1	ZINC000358163892	263284918	/nfs/dbraw/zinc/28/49/18/263284918.db2.gz	HOZQHXHEFDAEBF-STQMWFEESA-N	2	0	312.414	-1.014	20	0		DAADRP
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])C1	ZINC000418926928	263286069	/nfs/dbraw/zinc/28/60/69/263286069.db2.gz	SDNPRSJANZCFBE-NEPJUHHUSA-N	2	0	300.403	-1.077	20	0		DAADRP
C[C@H](C[NH3+])CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000529331701	263286283	/nfs/dbraw/zinc/28/62/83/263286283.db2.gz	BRMUMZBEIWHBST-GFCCVEGCSA-N	2	0	312.418	-1.066	20	0		DAADRP
C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000430621231	263288565	/nfs/dbraw/zinc/28/85/65/263288565.db2.gz	CLJKZDAWGPUXSE-MNOVXSKESA-N	2	0	311.386	-1.286	20	0		DAADRP
C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1	ZINC000423474535	263293025	/nfs/dbraw/zinc/29/30/25/263293025.db2.gz	REXWHWFWKABOPP-LBPRGKRZSA-N	2	0	314.430	-1.032	20	0		DAADRP
CC[NH+]1CCN(CC(=O)N(C)CC(=O)N2CC[NH2+]CC2)CC1	ZINC000428200005	263295241	/nfs/dbraw/zinc/29/52/41/263295241.db2.gz	BIEZRLOTDOESFH-UHFFFAOYSA-N	2	0	311.430	-1.486	20	0		DAADRP
O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1	ZINC000167412358	263296239	/nfs/dbraw/zinc/29/62/39/263296239.db2.gz	IQOLDIQYAPGZLL-CYBMUJFWSA-N	2	0	310.398	-1.259	20	0		DAADRP
C[NH+](C)CCN1C(=O)C[C@H](N2CCN3C(=O)NC[C@H]3C2)C1=O	ZINC000531204204	263296255	/nfs/dbraw/zinc/29/62/55/263296255.db2.gz	FYNNCLDMIXAJDH-QWRGUYRKSA-N	2	0	309.370	-1.615	20	0		DAADRP
C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCN2CC[NH2+]CC2)C[C@@H]1C	ZINC000333733138	263297328	/nfs/dbraw/zinc/29/73/28/263297328.db2.gz	WLQKLGMVCWXBBL-UONOGXRCSA-N	2	0	313.446	-1.012	20	0		DAADRP
COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000419548441	263300931	/nfs/dbraw/zinc/30/09/31/263300931.db2.gz	SYKXFBPYMRRUMQ-HZSPNIEDSA-N	2	0	324.425	-1.109	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C	ZINC000419365500	263302062	/nfs/dbraw/zinc/30/20/62/263302062.db2.gz	XMKLWVHAWQKFER-RYUDHWBXSA-N	2	0	300.403	-1.205	20	0		DAADRP
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1	ZINC000332591657	263304361	/nfs/dbraw/zinc/30/43/61/263304361.db2.gz	GFPLJESYNFIUMI-JHJVBQTASA-N	2	0	310.398	-1.132	20	0		DAADRP
CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(CC[NH3+])CCO	ZINC000419579902	263309729	/nfs/dbraw/zinc/30/97/29/263309729.db2.gz	GYKOYXRSPKJZSH-LBPRGKRZSA-N	2	0	300.403	-1.243	20	0		DAADRP
COC(=O)CN(CCN1CCOCC1)C(=O)[C@H]1C[NH2+]CCO1	ZINC000423762026	263313283	/nfs/dbraw/zinc/31/32/83/263313283.db2.gz	RUWQEAXABXCVRZ-GFCCVEGCSA-N	2	0	315.370	-1.691	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH2+][C@H](C)C1	ZINC000423266399	263313780	/nfs/dbraw/zinc/31/37/80/263313780.db2.gz	RWIUGRBWGXSKIO-GFCCVEGCSA-N	2	0	300.403	-1.157	20	0		DAADRP
CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H](C)N1CC[NH+](C)CC1	ZINC000263252177	263316043	/nfs/dbraw/zinc/31/60/43/263316043.db2.gz	PJRLSNGTKOYHPH-JSGCOSHPSA-N	2	0	313.446	-1.162	20	0		DAADRP
O=C(C[NH2+]C[C@@H]1CCCO1)Nc1nc(N2CC[NH2+]CC2)n[nH]1	ZINC000516180485	263322138	/nfs/dbraw/zinc/32/21/38/263322138.db2.gz	YKEISLMQNSLUMS-JTQLQIEISA-N	2	0	309.374	-1.079	20	0		DAADRP
COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1	ZINC001195661998	782076972	/nfs/dbraw/zinc/07/69/72/782076972.db2.gz	WKXIHFHAROKKCD-YNEHKIRRSA-N	2	0	315.414	-1.503	20	0		DAADRP
COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1	ZINC001195661996	782077199	/nfs/dbraw/zinc/07/71/99/782077199.db2.gz	WKXIHFHAROKKCD-JHJVBQTASA-N	2	0	315.414	-1.503	20	0		DAADRP
COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC001195829594	782084279	/nfs/dbraw/zinc/08/42/79/782084279.db2.gz	QHYVLFYDMLJUNH-MGPQQGTHSA-N	2	0	315.414	-1.503	20	0		DAADRP
C[NH+](C)CCNC(=O)C1CC[NH+](CCNS(C)(=O)=O)CC1	ZINC000170958613	332908489	/nfs/dbraw/zinc/90/84/89/332908489.db2.gz	JSAHTWSHIUTIHA-UHFFFAOYSA-N	2	0	320.459	-1.075	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H](C(N)=O)O1	ZINC000584012743	331562477	/nfs/dbraw/zinc/56/24/77/331562477.db2.gz	ZDLSRODMUUEPEH-NEPJUHHUSA-N	2	0	300.403	-1.029	20	0		DAADRP
CCNS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1	ZINC000578893031	332395369	/nfs/dbraw/zinc/39/53/69/332395369.db2.gz	PWYFFQSJROZUCA-LBPRGKRZSA-N	2	0	318.443	-1.178	20	0		DAADRP
CN1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)[C@H](C[NH3+])C1	ZINC000569919316	332692314	/nfs/dbraw/zinc/69/23/14/332692314.db2.gz	ZAAVZUUDXLCSAV-ZIAGYGMSSA-N	2	0	321.425	-1.440	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1	ZINC000582253066	336395340	/nfs/dbraw/zinc/39/53/40/336395340.db2.gz	BWXPXRJUZDSPBD-RYUDHWBXSA-N	2	0	313.402	-1.482	20	0		DAADRP
O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCN([C@H]2CC[NH2+]C2)CC1	ZINC000582544359	337102926	/nfs/dbraw/zinc/10/29/26/337102926.db2.gz	JHHSQJHUNWVWFQ-KBPBESRZSA-N	2	0	323.441	-1.249	20	0		DAADRP
CN1CC[NH2+]C[C@H]1CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1	ZINC000584470850	337345174	/nfs/dbraw/zinc/34/51/74/337345174.db2.gz	MDWDYWUCHNOODT-RYUDHWBXSA-N	2	0	307.402	-1.164	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)[C@@H](C)C[NH2+]1	ZINC000419779228	337492208	/nfs/dbraw/zinc/49/22/08/337492208.db2.gz	PJOWHKREUAGUAM-NEPJUHHUSA-N	2	0	300.403	-1.110	20	0		DAADRP
Cn1cnn(CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1=O	ZINC000550720995	341322161	/nfs/dbraw/zinc/32/21/61/341322161.db2.gz	ILZQCWRYNFERPB-UHFFFAOYSA-N	2	0	312.418	-1.076	20	0		DAADRP
C[NH+]1CCN(c2ccc(NC(=O)CNC(=O)C[NH3+])nc2)CC1	ZINC000551935345	341355418	/nfs/dbraw/zinc/35/54/18/341355418.db2.gz	SXNIBYYBYGDWCQ-UHFFFAOYSA-N	2	0	306.370	-1.153	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1	ZINC000565411776	341526777	/nfs/dbraw/zinc/52/67/77/341526777.db2.gz	DCRSQEACYKPLOL-ZDUSSCGKSA-N	3	0	313.446	-1.208	20	0		DAADRP
CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC000566250267	341552075	/nfs/dbraw/zinc/55/20/75/341552075.db2.gz	CWOZEKQUXYMFPM-JSGCOSHPSA-N	2	0	311.430	-1.408	20	0		DAADRP
CNS(=O)(=O)NCC(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000575951108	341816566	/nfs/dbraw/zinc/81/65/66/341816566.db2.gz	SRJZYOSUZYDCPW-UHFFFAOYSA-N	2	0	309.436	-2.008	20	0		DAADRP
COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1	ZINC001197319372	782128369	/nfs/dbraw/zinc/12/83/69/782128369.db2.gz	BSVQNCDGYIHORM-ZIAGYGMSSA-N	2	0	315.414	-1.095	20	0		DAADRP
COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC001197819872	782142961	/nfs/dbraw/zinc/14/29/61/782142961.db2.gz	PJNPTRVMCRYLCL-YNEHKIRRSA-N	2	0	313.398	-1.749	20	0		DAADRP
COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1	ZINC001197826015	782142998	/nfs/dbraw/zinc/14/29/98/782142998.db2.gz	MDYGCNBGKCSMIN-JHJVBQTASA-N	2	0	303.403	-1.239	20	0		DAADRP
COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1	ZINC001197825979	782142048	/nfs/dbraw/zinc/14/20/48/782142048.db2.gz	KAIYTQVZCFMUNN-JHJVBQTASA-N	2	0	319.402	-2.267	20	0		DAADRP
COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1	ZINC001197825980	782142111	/nfs/dbraw/zinc/14/21/11/782142111.db2.gz	KAIYTQVZCFMUNN-YNEHKIRRSA-N	2	0	319.402	-2.267	20	0		DAADRP
CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@H]1O	ZINC001198004149	782144386	/nfs/dbraw/zinc/14/43/86/782144386.db2.gz	WPFSGZLLVFLANV-MGPQQGTHSA-N	2	0	317.430	-1.113	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@H]1O	ZINC001198029710	782146843	/nfs/dbraw/zinc/14/68/43/782146843.db2.gz	WCWPGWFVLWHETJ-YNEHKIRRSA-N	2	0	303.403	-1.503	20	0		DAADRP
COCC[NH2+]CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000237296557	523937662	/nfs/dbraw/zinc/93/76/62/523937662.db2.gz	IVLJKRDNKFCLCC-LBPRGKRZSA-N	2	0	300.403	-1.251	20	0		DAADRP
Cn1c2ncn(CCN3CCC([NH3+])CC3)c2c(=O)n(C)c1=O	ZINC000430608772	545698826	/nfs/dbraw/zinc/69/88/26/545698826.db2.gz	DZBRMWLBMKEYJF-UHFFFAOYSA-N	2	0	306.370	-1.143	20	0		DAADRP
CN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[C@H]1C[NH2+]C[C@@H]1O	ZINC000332090779	545728711	/nfs/dbraw/zinc/72/87/11/545728711.db2.gz	BDZJBZWDDGMGRC-CRWXNKLISA-N	2	0	324.425	-1.280	20	0		DAADRP
C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000659755210	545764106	/nfs/dbraw/zinc/76/41/06/545764106.db2.gz	JHQQKPYZNXNDRY-GFCCVEGCSA-N	3	0	301.435	-1.338	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1	ZINC000419355009	545765298	/nfs/dbraw/zinc/76/52/98/545765298.db2.gz	LRCLVYCYACUQLA-RYUDHWBXSA-N	2	0	300.403	-1.110	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C	ZINC000419358942	545765767	/nfs/dbraw/zinc/76/57/67/545765767.db2.gz	QCGZUINDYYYGIS-NEPJUHHUSA-N	2	0	300.403	-1.110	20	0		DAADRP
[NH3+]CCN(CCO)C(=O)C(=O)NCCC[NH+]1CCCCC1	ZINC000419008233	545766231	/nfs/dbraw/zinc/76/62/31/545766231.db2.gz	VIGDFXWOQMEOIH-UHFFFAOYSA-N	2	0	300.403	-1.242	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)C[C@@H](C)[NH2+]1	ZINC000419774464	545768399	/nfs/dbraw/zinc/76/83/99/545768399.db2.gz	JUVZDOTTZWSCFI-VXGBXAGGSA-N	2	0	300.403	-1.110	20	0		DAADRP
COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1	ZINC000419444191	545769172	/nfs/dbraw/zinc/76/91/72/545769172.db2.gz	CCEXTMQQLLBVLF-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)COC1(C)C[NH2+]C1	ZINC000659356965	545792528	/nfs/dbraw/zinc/79/25/28/545792528.db2.gz	AXUUGXFPZWGYDU-UHFFFAOYSA-N	2	0	300.403	-1.157	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1	ZINC000521029832	545803609	/nfs/dbraw/zinc/80/36/09/545803609.db2.gz	TYUJRAHVFIEYGN-XQQFMLRXSA-N	2	0	323.459	-1.015	20	0		DAADRP
O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656023349	545810550	/nfs/dbraw/zinc/81/05/50/545810550.db2.gz	ASRMRMSFDAWXAT-UONOGXRCSA-N	2	0	324.425	-1.230	20	0		DAADRP
[NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC000656022341	545810930	/nfs/dbraw/zinc/81/09/30/545810930.db2.gz	WSRBVTPQOYFIBL-ZDEQEGDKSA-N	2	0	310.398	-1.350	20	0		DAADRP
[NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656023134	545811281	/nfs/dbraw/zinc/81/12/81/545811281.db2.gz	WGXGGGITNCEVIV-XJFOESAGSA-N	2	0	324.425	-1.103	20	0		DAADRP
O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656020612	545812011	/nfs/dbraw/zinc/81/20/11/545812011.db2.gz	SRHJAZGPELGLEG-RWMBFGLXSA-N	2	0	310.398	-1.478	20	0		DAADRP
O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656022769	545812099	/nfs/dbraw/zinc/81/20/99/545812099.db2.gz	LTUUFFRBWMHPQG-RWMBFGLXSA-N	2	0	310.398	-1.478	20	0		DAADRP
CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC1	ZINC000656062743	545812937	/nfs/dbraw/zinc/81/29/37/545812937.db2.gz	OYCFZNDXIFAKLH-UONOGXRCSA-N	2	0	324.425	-1.182	20	0		DAADRP
C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656105160	545814899	/nfs/dbraw/zinc/81/48/99/545814899.db2.gz	YNYMBHJXCVIYRR-RQJABVFESA-N	2	0	324.425	-1.008	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@@]1(C)C[NH3+]	ZINC000656104235	545816626	/nfs/dbraw/zinc/81/66/26/545816626.db2.gz	LEPTXIYHIHWSFE-OQMKEHIESA-N	2	0	324.425	-1.293	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@H](C)C[NH2+]1	ZINC000656104001	545816649	/nfs/dbraw/zinc/81/66/49/545816649.db2.gz	FMHKSBYTPLTJQD-FVCCEPFGSA-N	2	0	310.398	-1.527	20	0		DAADRP
O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@H]2CC[NH2+][C@H]2C1	ZINC000656103969	545817019	/nfs/dbraw/zinc/81/70/19/545817019.db2.gz	DOIMYUPAOATABB-RQJABVFESA-N	2	0	322.409	-1.526	20	0		DAADRP
C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1	ZINC000656104159	545817039	/nfs/dbraw/zinc/81/70/39/545817039.db2.gz	IVIOZDMNUDUNEI-KWCYVHTRSA-N	2	0	324.425	-1.150	20	0		DAADRP
O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1	ZINC000656104343	545817110	/nfs/dbraw/zinc/81/71/10/545817110.db2.gz	OJTUYCSTDSUESN-FQUUOJAGSA-N	2	0	322.409	-1.526	20	0		DAADRP
C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H]1C[NH3+]	ZINC000656104647	545817124	/nfs/dbraw/zinc/81/71/24/545817124.db2.gz	SYPMXRKBBNVXEV-RFQIPJPRSA-N	2	0	324.425	-1.293	20	0		DAADRP
CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656104659	545817284	/nfs/dbraw/zinc/81/72/84/545817284.db2.gz	TZWGTCZNVFCFFQ-MELADBBJSA-N	2	0	324.425	-1.136	20	0		DAADRP
C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@@H]1C[NH3+]	ZINC000656104648	545817304	/nfs/dbraw/zinc/81/73/04/545817304.db2.gz	SYPMXRKBBNVXEV-XDQVBPFNSA-N	2	0	324.425	-1.293	20	0		DAADRP
C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC000656104267	545817488	/nfs/dbraw/zinc/81/74/88/545817488.db2.gz	MNACRJKFURLCIR-ZOBORPQBSA-N	2	0	324.425	-1.150	20	0		DAADRP
C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@@H]1C[NH3+]	ZINC000656104650	545817975	/nfs/dbraw/zinc/81/79/75/545817975.db2.gz	SYPMXRKBBNVXEV-ZOBORPQBSA-N	2	0	324.425	-1.293	20	0		DAADRP
C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H]1C[NH3+]	ZINC000656104649	545818145	/nfs/dbraw/zinc/81/81/45/545818145.db2.gz	SYPMXRKBBNVXEV-YIYPIFLZSA-N	2	0	324.425	-1.293	20	0		DAADRP
C[C@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)C1CC1	ZINC000656309077	545819738	/nfs/dbraw/zinc/81/97/38/545819738.db2.gz	IWTUYBYSMLBESM-KWCYVHTRSA-N	2	0	324.425	-1.137	20	0		DAADRP
C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C	ZINC000656316185	545820684	/nfs/dbraw/zinc/82/06/84/545820684.db2.gz	PVHLLXRNUPPVNE-ZOBORPQBSA-N	2	0	324.425	-1.137	20	0		DAADRP
O=C(N[C@H]1CC[NH+](C2CC2)C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656304065	545820975	/nfs/dbraw/zinc/82/09/75/545820975.db2.gz	PRUPLRDTEAMOFJ-FPMFFAJLSA-N	2	0	322.409	-1.383	20	0		DAADRP
[NH3+]CCCn1cc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)nn1	ZINC000662909071	545840093	/nfs/dbraw/zinc/84/00/93/545840093.db2.gz	YCGKDLRASBJKQF-LBPRGKRZSA-N	2	0	307.402	-1.253	20	0		DAADRP
O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1C[N@@H+]2CCN1CCC2	ZINC000662908131	545840692	/nfs/dbraw/zinc/84/06/92/545840692.db2.gz	ZEEOJLPRUBJLEP-KBPBESRZSA-N	2	0	323.441	-1.249	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)N[C@H](CO)C[NH+](C)C)CC1=O	ZINC000673524552	545866137	/nfs/dbraw/zinc/86/61/37/545866137.db2.gz	YPDMFMAQNJBUJX-NEPJUHHUSA-N	2	0	300.403	-1.565	20	0		DAADRP
NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[NH+]2CCN1CCC2	ZINC000677883182	545875445	/nfs/dbraw/zinc/87/54/45/545875445.db2.gz	MATXCLKJRLTJLO-ZIAGYGMSSA-N	2	0	323.441	-1.168	20	0		DAADRP
CN(CCC[NH+](C)C)CCNS(=O)(=O)N1CC[NH2+]CC1	ZINC000923657129	663950431	/nfs/dbraw/zinc/95/04/31/663950431.db2.gz	MXPJDAJWPXJIQD-UHFFFAOYSA-N	2	0	307.464	-1.391	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1	ZINC001021049130	662349327	/nfs/dbraw/zinc/34/93/27/662349327.db2.gz	IKFRPBYQIFAGBT-KKOKHZNYSA-N	2	0	308.382	-1.020	20	0		DAADRP
O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC000892002073	662396759	/nfs/dbraw/zinc/39/67/59/662396759.db2.gz	KSZQYNNGEROGBD-KXNHARMFSA-N	2	0	309.370	-1.075	20	0		DAADRP
C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1	ZINC000926335900	662397093	/nfs/dbraw/zinc/39/70/93/662397093.db2.gz	CFTLJQCQIAFGPI-WWGRRREGSA-N	2	0	324.425	-1.006	20	0		DAADRP
C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1	ZINC000926335898	662397300	/nfs/dbraw/zinc/39/73/00/662397300.db2.gz	CFTLJQCQIAFGPI-DVOMOZLQSA-N	2	0	324.425	-1.006	20	0		DAADRP
C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1	ZINC000926400125	662404443	/nfs/dbraw/zinc/40/44/43/662404443.db2.gz	GMWLSJWNYUCODD-ZDEQEGDKSA-N	2	0	310.398	-1.622	20	0		DAADRP
C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1	ZINC000926400122	662404576	/nfs/dbraw/zinc/40/45/76/662404576.db2.gz	GMWLSJWNYUCODD-WUHRBBMRSA-N	2	0	310.398	-1.622	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1	ZINC001023086331	662428645	/nfs/dbraw/zinc/42/86/45/662428645.db2.gz	IKFRPBYQIFAGBT-NNYUYHANSA-N	2	0	308.382	-1.020	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1	ZINC001023086333	662428689	/nfs/dbraw/zinc/42/86/89/662428689.db2.gz	IKFRPBYQIFAGBT-WYUUTHIRSA-N	2	0	308.382	-1.020	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O	ZINC001023216392	662441152	/nfs/dbraw/zinc/44/11/52/662441152.db2.gz	GHFWFNKOEMGEIZ-MGPQQGTHSA-N	2	0	324.425	-1.136	20	0		DAADRP
O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000314238995	662533722	/nfs/dbraw/zinc/53/37/22/662533722.db2.gz	XCKWPLHGONRSRW-UPJWGTAASA-N	2	0	319.427	-1.243	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)C1	ZINC001019772814	662535765	/nfs/dbraw/zinc/53/57/65/662535765.db2.gz	SHCRPFZIAVCKRL-KGLIPLIRSA-N	2	0	324.425	-1.013	20	0		DAADRP
O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1	ZINC001019774957	662535816	/nfs/dbraw/zinc/53/58/16/662535816.db2.gz	PBVPAVLOXMFZPY-LBPRGKRZSA-N	2	0	323.397	-1.176	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1	ZINC001026145823	662543198	/nfs/dbraw/zinc/54/31/98/662543198.db2.gz	MGVOBBGWZXKKLF-JLDUMIBSSA-N	2	0	320.393	-1.210	20	0		DAADRP
Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nc1=O	ZINC001027216716	662576623	/nfs/dbraw/zinc/57/66/23/662576623.db2.gz	XEOYIFQKVBVOGY-RYUDHWBXSA-N	2	0	322.413	-1.002	20	0		DAADRP
NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1	ZINC001028698490	662685886	/nfs/dbraw/zinc/68/58/86/662685886.db2.gz	LAULFKLNNNKKHB-OPXGVBIBSA-N	2	0	322.409	-1.227	20	0		DAADRP
NC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1	ZINC001028698489	662685897	/nfs/dbraw/zinc/68/58/97/662685897.db2.gz	LAULFKLNNNKKHB-ISGSLZAZSA-N	2	0	322.409	-1.227	20	0		DAADRP
NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1	ZINC001028698488	662686021	/nfs/dbraw/zinc/68/60/21/662686021.db2.gz	LAULFKLNNNKKHB-AJAZOQAWSA-N	2	0	322.409	-1.227	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2C)CC1=O	ZINC000924984634	662692352	/nfs/dbraw/zinc/69/23/52/662692352.db2.gz	WTXYLFMMGHGWGR-AGIUHOORSA-N	2	0	312.414	-1.422	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H]1CC[NH3+]	ZINC000903772019	662789857	/nfs/dbraw/zinc/78/98/57/662789857.db2.gz	SHIIMEKHELOGGV-YIYPIFLZSA-N	2	0	324.425	-1.293	20	0		DAADRP
C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCO1	ZINC000904959116	662792428	/nfs/dbraw/zinc/79/24/28/662792428.db2.gz	KJEZIRRACOOGSC-WFGGJUAMSA-N	2	0	324.425	-1.029	20	0		DAADRP
CN(CC[NH+](C)C)C(=O)C(=O)N(C)C1(C[NH3+])CCOCC1	ZINC000904971111	662792555	/nfs/dbraw/zinc/79/25/55/662792555.db2.gz	OKYSLWSTUJBOAZ-UHFFFAOYSA-N	2	0	300.403	-1.027	20	0		DAADRP
[NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000905006879	662793111	/nfs/dbraw/zinc/79/31/11/662793111.db2.gz	FTAMQKODAAKDKZ-BCUIYNNISA-N	2	0	322.409	-1.396	20	0		DAADRP
COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1	ZINC000905016555	662793533	/nfs/dbraw/zinc/79/35/33/662793533.db2.gz	SMHKNZFFQNIGNJ-BBRMVZONSA-N	2	0	324.425	-1.013	20	0		DAADRP
COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+](C)C	ZINC000904989453	662793596	/nfs/dbraw/zinc/79/35/96/662793596.db2.gz	YHXCZNFCKOWFTF-GFCCVEGCSA-N	2	0	300.403	-1.157	20	0		DAADRP
C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000904985403	662793628	/nfs/dbraw/zinc/79/36/28/662793628.db2.gz	BCZPUDQAJGAWGA-OLZOCXBDSA-N	2	0	312.414	-1.278	20	0		DAADRP
COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1	ZINC000905017762	662793809	/nfs/dbraw/zinc/79/38/09/662793809.db2.gz	WFONZFYIRUPUCI-QWHCGFSZSA-N	2	0	312.414	-1.014	20	0		DAADRP
O=C(C(=O)N1CC[NH2+]CC1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO	ZINC000904989697	662793848	/nfs/dbraw/zinc/79/38/48/662793848.db2.gz	NJBCYYRYFIUQLN-CHWSQXEVSA-N	2	0	310.398	-1.524	20	0		DAADRP
O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO	ZINC000904987615	662793971	/nfs/dbraw/zinc/79/39/71/662793971.db2.gz	QGQMPYPZTDXBTH-XDQVBPFNSA-N	2	0	322.409	-1.383	20	0		DAADRP
C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000904985750	662794037	/nfs/dbraw/zinc/79/40/37/662794037.db2.gz	CPMKYAXXTUEGEV-RWMBFGLXSA-N	2	0	312.414	-1.150	20	0		DAADRP
CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000904987255	662794082	/nfs/dbraw/zinc/79/40/82/662794082.db2.gz	OBJHUUUHMVWMTK-OLZOCXBDSA-N	2	0	312.414	-1.149	20	0		DAADRP
COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1	ZINC000905022392	662794543	/nfs/dbraw/zinc/79/45/43/662794543.db2.gz	QSSRXIARNUYLDF-RDBSUJKOSA-N	2	0	324.425	-1.014	20	0		DAADRP
CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1	ZINC000910964037	663135329	/nfs/dbraw/zinc/13/53/29/663135329.db2.gz	QUNMCHVPQAUVDQ-HNNXBMFYSA-N	2	0	312.414	-1.101	20	0		DAADRP
C[NH2+]CCN(C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C(C)C	ZINC000911030869	663135794	/nfs/dbraw/zinc/13/57/94/663135794.db2.gz	MROQHXHUZJECCX-CYBMUJFWSA-N	2	0	313.446	-1.195	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+]	ZINC000911032388	663135862	/nfs/dbraw/zinc/13/58/62/663135862.db2.gz	UFBIFSXAVFARIA-WOSRLPQWSA-N	2	0	323.441	-1.312	20	0		DAADRP
C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1	ZINC000911073336	663136305	/nfs/dbraw/zinc/13/63/05/663136305.db2.gz	RZPREULUZOJOLD-FZMZJTMJSA-N	2	0	300.403	-1.245	20	0		DAADRP
[NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1	ZINC000911071926	663136407	/nfs/dbraw/zinc/13/64/07/663136407.db2.gz	DLXWJZYSAUKNCQ-NHYWBVRUSA-N	2	0	310.398	-1.349	20	0		DAADRP
O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCNCC[NH2+]CC1	ZINC000911071693	663136673	/nfs/dbraw/zinc/13/66/73/663136673.db2.gz	CYEVBMKAUCAXEO-LBPRGKRZSA-N	2	0	309.414	-1.639	20	0		DAADRP
C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCN1CCC([NH3+])CC1	ZINC000911071655	663136728	/nfs/dbraw/zinc/13/67/28/663136728.db2.gz	BSWUNSHMZDHIKK-GFCCVEGCSA-N	2	0	313.446	-1.018	20	0		DAADRP
C[N@@H+]1CCN(CCNC(=O)C(=O)NCC2([NH3+])CC2)CC1(C)C	ZINC000911096917	663136977	/nfs/dbraw/zinc/13/69/77/663136977.db2.gz	MTPRRBIKAKJIHO-UHFFFAOYSA-N	2	0	311.430	-1.264	20	0		DAADRP
C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CCC1	ZINC000911111711	663137288	/nfs/dbraw/zinc/13/72/88/663137288.db2.gz	DGYQSDQRZWGHFH-CQSZACIVSA-N	2	0	312.414	-1.101	20	0		DAADRP
O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2	ZINC000911147815	663137517	/nfs/dbraw/zinc/13/75/17/663137517.db2.gz	JQZFDONIBOBSID-RYMFRWLXSA-N	2	0	322.409	-1.025	20	0		DAADRP
C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000911148479	663137688	/nfs/dbraw/zinc/13/76/88/663137688.db2.gz	PESLKOBAYMIASG-XJFOESAGSA-N	2	0	324.425	-1.063	20	0		DAADRP
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1	ZINC000911148679	663137767	/nfs/dbraw/zinc/13/77/67/663137767.db2.gz	ZSIBYFUOAUOQIB-FFSVYQOJSA-N	2	0	324.425	-1.103	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC	ZINC000911156684	663138063	/nfs/dbraw/zinc/13/80/63/663138063.db2.gz	QAOUWUMZMUWBAG-GFCCVEGCSA-N	2	0	316.402	-1.872	20	0		DAADRP
C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCCC[NH+]1CCOCC1	ZINC000911183380	663138111	/nfs/dbraw/zinc/13/81/11/663138111.db2.gz	LQHMOBPASWOLPP-CHWSQXEVSA-N	2	0	312.414	-1.061	20	0		DAADRP
CC[N@H+](CCNC(=O)C(=O)N1CCNCC[NH2+]CC1)C1CC1	ZINC000911187354	663138381	/nfs/dbraw/zinc/13/83/81/663138381.db2.gz	OGSYWQBOFLZXHH-UHFFFAOYSA-N	2	0	311.430	-1.392	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1	ZINC000911156160	663138386	/nfs/dbraw/zinc/13/83/86/663138386.db2.gz	NGARQQFAXKCAHW-LLVKDONJSA-N	2	0	300.403	-1.124	20	0		DAADRP
COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1	ZINC000911242253	663139302	/nfs/dbraw/zinc/13/93/02/663139302.db2.gz	QHQXNPFUMHYUGT-JHJVBQTASA-N	2	0	312.414	-1.124	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)C[NH+](C)C	ZINC000911272654	663140261	/nfs/dbraw/zinc/14/02/61/663140261.db2.gz	DPIFILKIUYUQNQ-NEPJUHHUSA-N	2	0	300.403	-1.077	20	0		DAADRP
C[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000911271276	663140574	/nfs/dbraw/zinc/14/05/74/663140574.db2.gz	ZUDFVXYTVHYMSP-CHWSQXEVSA-N	2	0	312.414	-1.230	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1	ZINC000911258999	663140871	/nfs/dbraw/zinc/14/08/71/663140871.db2.gz	VRWAUBFCHYUHOO-NSHDSACASA-N	2	0	300.403	-1.124	20	0		DAADRP
CC(C)([NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000911296698	663140990	/nfs/dbraw/zinc/14/09/90/663140990.db2.gz	KEOTYLURSAEZGF-VXGBXAGGSA-N	2	0	312.414	-1.103	20	0		DAADRP
O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000911265223	663141059	/nfs/dbraw/zinc/14/10/59/663141059.db2.gz	BHWNAINIRKLAHA-MCIONIFRSA-N	2	0	324.425	-1.088	20	0		DAADRP
CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000911258172	663141064	/nfs/dbraw/zinc/14/10/64/663141064.db2.gz	NUZLBKUWPDWARB-CYBMUJFWSA-N	2	0	313.446	-1.146	20	0		DAADRP
C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000911298125	663141085	/nfs/dbraw/zinc/14/10/85/663141085.db2.gz	RNQCUGVHCYDTKP-JHJVBQTASA-N	2	0	312.414	-1.103	20	0		DAADRP
[NH3+]C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)C1CC1	ZINC000911298611	663141097	/nfs/dbraw/zinc/14/10/97/663141097.db2.gz	SCFDBQCBUMLUJN-BFHYXJOUSA-N	2	0	324.425	-1.103	20	0		DAADRP
CC(C)([NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000911296690	663141102	/nfs/dbraw/zinc/14/11/02/663141102.db2.gz	KEOTYLURSAEZGF-NWDGAFQWSA-N	2	0	312.414	-1.103	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)C[NH+](C)C	ZINC000911281239	663141119	/nfs/dbraw/zinc/14/11/19/663141119.db2.gz	DQQNIZVITHZJNH-NEPJUHHUSA-N	2	0	300.403	-1.063	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)C[NH+](C)C	ZINC000911298701	663141168	/nfs/dbraw/zinc/14/11/68/663141168.db2.gz	TXTNYTUABDQQRN-NEPJUHHUSA-N	2	0	300.403	-1.077	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C[NH+](C)C	ZINC000911281240	663141198	/nfs/dbraw/zinc/14/11/98/663141198.db2.gz	DQQNIZVITHZJNH-NWDGAFQWSA-N	2	0	300.403	-1.063	20	0		DAADRP
[NH3+]C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)C1CC1	ZINC000911298615	663141201	/nfs/dbraw/zinc/14/12/01/663141201.db2.gz	SCFDBQCBUMLUJN-MELADBBJSA-N	2	0	324.425	-1.103	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)C[NH+](C)C	ZINC000911266276	663141274	/nfs/dbraw/zinc/14/12/74/663141274.db2.gz	HNQNNROHDQTASC-RYUDHWBXSA-N	2	0	300.403	-1.063	20	0		DAADRP
O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO	ZINC000911327311	663141418	/nfs/dbraw/zinc/14/14/18/663141418.db2.gz	UJQODLIBDZVQBK-YNEHKIRRSA-N	2	0	310.398	-1.478	20	0		DAADRP
O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000911286969	663141499	/nfs/dbraw/zinc/14/14/99/663141499.db2.gz	BHWNAINIRKLAHA-MJBXVCDLSA-N	2	0	324.425	-1.088	20	0		DAADRP
O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO	ZINC000911286966	663141699	/nfs/dbraw/zinc/14/16/99/663141699.db2.gz	BHWNAINIRKLAHA-BFHYXJOUSA-N	2	0	324.425	-1.088	20	0		DAADRP
O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000911282230	663141915	/nfs/dbraw/zinc/14/19/15/663141915.db2.gz	OWBLWTUETGZHLH-MJBXVCDLSA-N	2	0	324.425	-1.088	20	0		DAADRP
C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000911366822	663143477	/nfs/dbraw/zinc/14/34/77/663143477.db2.gz	JRAJYDQGGDVVOP-YIYPIFLZSA-N	2	0	324.425	-1.232	20	0		DAADRP
C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000911374186	663143725	/nfs/dbraw/zinc/14/37/25/663143725.db2.gz	HGFNUHXHZOBJJZ-CHWSQXEVSA-N	3	0	313.446	-1.338	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)C[NH+](C)C	ZINC000911433602	663144449	/nfs/dbraw/zinc/14/44/49/663144449.db2.gz	BJTRXHQGDHQOLO-NEPJUHHUSA-N	2	0	300.403	-1.110	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C[NH+](C)C	ZINC000911435781	663144521	/nfs/dbraw/zinc/14/45/21/663144521.db2.gz	OQOZXQBLJPGPIS-AGIUHOORSA-N	2	0	312.414	-1.110	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)C[NH+](C)C	ZINC000911436767	663144883	/nfs/dbraw/zinc/14/48/83/663144883.db2.gz	VPMPISVBDKYZPE-VXGBXAGGSA-N	2	0	300.403	-1.124	20	0		DAADRP
[NH3+]C1(CNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1	ZINC000911507338	663147895	/nfs/dbraw/zinc/14/78/95/663147895.db2.gz	VNOUSLHHGXSBGJ-NEPJUHHUSA-N	2	0	310.398	-1.349	20	0		DAADRP
CC1(C)CC[N@H+](CCNC(=O)C(=O)N(CC[NH3+])CCO)C1	ZINC000911534337	663147919	/nfs/dbraw/zinc/14/79/19/663147919.db2.gz	UTOLBSFDGGGYRE-UHFFFAOYSA-N	2	0	300.403	-1.386	20	0		DAADRP
[NH3+]C1(CNC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1	ZINC000911507341	663148179	/nfs/dbraw/zinc/14/81/79/663148179.db2.gz	VNOUSLHHGXSBGJ-NWDGAFQWSA-N	2	0	310.398	-1.349	20	0		DAADRP
[NH3+]C1(CNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1	ZINC000911507344	663148417	/nfs/dbraw/zinc/14/84/17/663148417.db2.gz	VNOUSLHHGXSBGJ-VXGBXAGGSA-N	2	0	310.398	-1.349	20	0		DAADRP
O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000911551897	663148940	/nfs/dbraw/zinc/14/89/40/663148940.db2.gz	SXEKRWKKSBLSAR-RXGFPQBGSA-N	2	0	308.382	-1.727	20	0		DAADRP
[NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1	ZINC000911729186	663150537	/nfs/dbraw/zinc/15/05/37/663150537.db2.gz	DNXYTRWXNYJWFO-ZENOOKHLSA-N	2	0	324.425	-1.074	20	0		DAADRP
CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O	ZINC000911774854	663151385	/nfs/dbraw/zinc/15/13/85/663151385.db2.gz	LHYCKUARMRUFAF-ZDUSSCGKSA-N	2	0	311.430	-1.453	20	0		DAADRP
C[N@H+](CCNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C)CCOCCO	ZINC000922110120	663622372	/nfs/dbraw/zinc/62/23/72/663622372.db2.gz	WYXJZQKLVPLXDP-GXTWGEPZSA-N	2	0	303.403	-1.502	20	0		DAADRP
CN1CC(=O)N(CC[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)C1=O	ZINC000923333323	663696522	/nfs/dbraw/zinc/69/65/22/663696522.db2.gz	QRKJNFMIEPIQFC-GFCCVEGCSA-N	2	0	323.397	-1.223	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N2CCC(O)(C[NH2+][C@H]3CCNC3=O)CC2)C1	ZINC000946928628	663699250	/nfs/dbraw/zinc/69/92/50/663699250.db2.gz	UMPSLOBYIQDSLF-OLZOCXBDSA-N	2	0	324.425	-1.230	20	0		DAADRP
C[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+]1CCCCC1	ZINC000842015214	663876198	/nfs/dbraw/zinc/87/61/98/663876198.db2.gz	HVRIRTWIQJBLHL-LBPRGKRZSA-N	2	0	300.403	-1.243	20	0		DAADRP
C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000842164741	663877284	/nfs/dbraw/zinc/87/72/84/663877284.db2.gz	NZJATXPEHKTLQH-UPJWGTAASA-N	2	0	310.398	-1.214	20	0		DAADRP
O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@]2(CCC[NH2+]2)C1	ZINC000848637604	663892208	/nfs/dbraw/zinc/89/22/08/663892208.db2.gz	RNGSABVDBVKCCB-WOSRLPQWSA-N	2	0	322.409	-1.382	20	0		DAADRP
CCOC(=O)N1CCN(C(=O)[C@H](C)N(C)C[C@@H](O)C[NH3+])CC1	ZINC000852749582	663897796	/nfs/dbraw/zinc/89/77/96/663897796.db2.gz	AFFOUPZHLAYYFU-RYUDHWBXSA-N	2	0	316.402	-1.073	20	0		DAADRP
NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C2=NO[C@H](C[NH3+])C2)C1	ZINC000852863568	663898313	/nfs/dbraw/zinc/89/83/13/663898313.db2.gz	GZTRUNQMFZGJOP-MNOVXSKESA-N	2	0	311.386	-1.206	20	0		DAADRP
[NH3+]C[C@@H]1CC(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)=NO1	ZINC000852793458	663898342	/nfs/dbraw/zinc/89/83/42/663898342.db2.gz	BJBDOQJPIOCNDI-RYUDHWBXSA-N	2	0	323.397	-1.240	20	0		DAADRP
[NH3+]C[C@@H]1CC(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)=NO1	ZINC000852793456	663898440	/nfs/dbraw/zinc/89/84/40/663898440.db2.gz	BJBDOQJPIOCNDI-NEPJUHHUSA-N	2	0	323.397	-1.240	20	0		DAADRP
C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000861748108	663917568	/nfs/dbraw/zinc/91/75/68/663917568.db2.gz	FCJZEQRBXPAFPI-LBPRGKRZSA-N	2	0	313.446	-1.066	20	0		DAADRP
C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000861748107	663918156	/nfs/dbraw/zinc/91/81/56/663918156.db2.gz	FCJZEQRBXPAFPI-GFCCVEGCSA-N	2	0	313.446	-1.066	20	0		DAADRP
CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C(C)C	ZINC000861803215	663918847	/nfs/dbraw/zinc/91/88/47/663918847.db2.gz	VPJQRQXYQZCGNS-GFCCVEGCSA-N	2	0	300.403	-1.063	20	0		DAADRP
C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000863754796	663926147	/nfs/dbraw/zinc/92/61/47/663926147.db2.gz	RJAXKBFHUMCAFT-GFCCVEGCSA-N	3	0	301.435	-1.256	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC[C@@H]21	ZINC000868387365	663934200	/nfs/dbraw/zinc/93/42/00/663934200.db2.gz	BORWFQRWJZOABY-AGIUHOORSA-N	2	0	310.398	-1.275	20	0		DAADRP
CN(C)c1ncc(CNS(=O)(=O)N2CC[NH2+]CC2)n1C	ZINC000923609932	663935558	/nfs/dbraw/zinc/93/55/58/663935558.db2.gz	UEEITONPKROZQF-UHFFFAOYSA-N	2	0	302.404	-1.274	20	0		DAADRP
C[NH+](C)C1CCN(CCNS(=O)(=O)N2CC[NH2+]CC2)CC1	ZINC000923624804	663937703	/nfs/dbraw/zinc/93/77/03/663937703.db2.gz	UNUCYQXECTVJIS-UHFFFAOYSA-N	2	0	319.475	-1.248	20	0		DAADRP
COC[C@@H](CCC[NH3+])[NH2+]C[C@]12COCCN1C(=O)COC2	ZINC000873265402	663941424	/nfs/dbraw/zinc/94/14/24/663941424.db2.gz	HPFOWDRNDUFAMF-TZMCWYRMSA-N	2	0	301.387	-1.042	20	0		DAADRP
O=S(=O)(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1C[NH2+]C1	ZINC000923639490	663944046	/nfs/dbraw/zinc/94/40/46/663944046.db2.gz	OLFXZETYPBUJLB-VIFPVBQESA-N	2	0	316.349	-1.286	20	0		DAADRP
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H](N)C[NH+](C)C	ZINC000876749970	663946854	/nfs/dbraw/zinc/94/68/54/663946854.db2.gz	SFOZLMSJAIQHBL-STQMWFEESA-N	2	0	313.446	-1.066	20	0		DAADRP
COC[C@]1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[NH2+]CCO1	ZINC000876743289	663947537	/nfs/dbraw/zinc/94/75/37/663947537.db2.gz	BBLXGONGXQYYFK-NFAWXSAZSA-N	2	0	313.398	-1.029	20	0		DAADRP
COC[C@]1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[NH2+]CCO1	ZINC000876743287	663947863	/nfs/dbraw/zinc/94/78/63/663947863.db2.gz	BBLXGONGXQYYFK-GUTXKFCHSA-N	2	0	313.398	-1.029	20	0		DAADRP
COC[C@@]1(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)C[NH2+]CCO1	ZINC000876782367	663948727	/nfs/dbraw/zinc/94/87/27/663948727.db2.gz	PLSMVZJTVBQDRX-DZGCQCFKSA-N	2	0	314.430	-1.257	20	0		DAADRP
COC[C@]1(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C[NH2+]CCO1	ZINC000876782430	663948759	/nfs/dbraw/zinc/94/87/59/663948759.db2.gz	QQSMZGSXGJQHHD-ZFWWWQNUSA-N	2	0	314.430	-1.257	20	0		DAADRP
COC[C@]1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C[NH2+]CCO1	ZINC000876971885	663949365	/nfs/dbraw/zinc/94/93/65/663949365.db2.gz	FMESZWCBMKSWEE-HIFRSBDPSA-N	2	0	312.414	-1.503	20	0		DAADRP
COC[C@]1(C(=O)NCCN(C)CCC[NH+](C)C)C[NH2+]CCO1	ZINC000876961729	663949544	/nfs/dbraw/zinc/94/95/44/663949544.db2.gz	WKZSDRWHCFZVJN-HNNXBMFYSA-N	2	0	316.446	-1.009	20	0		DAADRP
O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[NH2+]CC1	ZINC000923672239	663951768	/nfs/dbraw/zinc/95/17/68/663951768.db2.gz	BWYJKDBJHYSPEI-GFCCVEGCSA-N	2	0	318.443	-1.115	20	0		DAADRP
O=S(=O)(NCCCCCN1CC[NH2+]CC1)N1CC[NH2+]CC1	ZINC000923682000	663952949	/nfs/dbraw/zinc/95/29/49/663952949.db2.gz	UCRPLCRFNIYCIK-UHFFFAOYSA-N	2	0	319.475	-1.199	20	0		DAADRP
CN1C(=O)[C@H]2C[N@H+](CC(=O)NC3CC[NH+](C)CC3)C[C@H]2C1=O	ZINC000879536584	663954818	/nfs/dbraw/zinc/95/48/18/663954818.db2.gz	NSNCVKAEADILAQ-TXEJJXNPSA-N	2	0	308.382	-1.257	20	0		DAADRP
C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000884559985	663964712	/nfs/dbraw/zinc/96/47/12/663964712.db2.gz	KNGKSMSRYYIUNC-MROQNXINSA-N	2	0	310.398	-1.086	20	0		DAADRP
COCC[C@H]([NH3+])C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000884430291	663964869	/nfs/dbraw/zinc/96/48/69/663964869.db2.gz	LJDGANOMWSWDSR-LBPRGKRZSA-N	2	0	313.402	-1.480	20	0		DAADRP
CCN(C(=O)C(=O)NCC[N@H+](C)CCOC)[C@H]1CC[NH2+]C1	ZINC000884562914	663964958	/nfs/dbraw/zinc/96/49/58/663964958.db2.gz	OHBJLNRDAKTWEU-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1	ZINC000884642677	663965762	/nfs/dbraw/zinc/96/57/62/663965762.db2.gz	OQECINMKCWNCPJ-HEHGZKQESA-N	2	0	324.425	-1.109	20	0		DAADRP
C[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C[NH+]1CCN(C)CC1	ZINC000884669618	663965920	/nfs/dbraw/zinc/96/59/20/663965920.db2.gz	BBEXXUFNLOEJKP-IHRRRGAJSA-N	2	0	323.441	-1.441	20	0		DAADRP
C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC[C@H]21	ZINC000884677198	663966007	/nfs/dbraw/zinc/96/60/07/663966007.db2.gz	KYRDAZFKPUWSIJ-UONOGXRCSA-N	2	0	323.441	-1.440	20	0		DAADRP
CCN(C(=O)C(=O)NCCOCC[NH+](C)C)[C@@H]1CC[NH2+]C1	ZINC000884662237	663966014	/nfs/dbraw/zinc/96/60/14/663966014.db2.gz	LDUMQUPZHODWQH-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
COCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000884721651	663966217	/nfs/dbraw/zinc/96/62/17/663966217.db2.gz	QEIQUCWSTVLQGR-QWHCGFSZSA-N	2	0	312.414	-1.109	20	0		DAADRP
COCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1	ZINC000884721649	663966697	/nfs/dbraw/zinc/96/66/97/663966697.db2.gz	QEIQUCWSTVLQGR-CHWSQXEVSA-N	2	0	312.414	-1.109	20	0		DAADRP
C[NH2+]CCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000884686619	663966919	/nfs/dbraw/zinc/96/69/19/663966919.db2.gz	QIOOZKSVERFSRN-CHWSQXEVSA-N	3	0	313.446	-1.480	20	0		DAADRP
C[C@@H](C(=O)N[C@H]1COC[C@H]1NC(=O)[C@H](C)[NH+](C)C)[NH+](C)C	ZINC000888041321	663976727	/nfs/dbraw/zinc/97/67/27/663976727.db2.gz	CYYSYCJVLYPJNO-FIQHERPVSA-N	2	0	300.403	-1.114	20	0		DAADRP
C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1	ZINC000926325484	663982435	/nfs/dbraw/zinc/98/24/35/663982435.db2.gz	MXDXQNZXBPIFFS-WFASDCNBSA-N	2	0	312.414	-1.149	20	0		DAADRP
[NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1	ZINC000926336644	663982624	/nfs/dbraw/zinc/98/26/24/663982624.db2.gz	ZBAGJSKSKKDDTK-SWLSCSKDSA-N	2	0	310.398	-1.395	20	0		DAADRP
O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[N@@H+]2CCC[C@H]2C1	ZINC000926335491	663982665	/nfs/dbraw/zinc/98/26/65/663982665.db2.gz	RSSHUROMIHEDLC-ZDUSSCGKSA-N	2	0	309.414	-1.686	20	0		DAADRP
NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC001019170084	664595647	/nfs/dbraw/zinc/59/56/47/664595647.db2.gz	ZSEGJUQYJDFQEW-WVIDZAQPSA-N	2	0	308.382	-1.475	20	0		DAADRP
C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001058710857	677687131	/nfs/dbraw/zinc/68/71/31/677687131.db2.gz	SCQFMZNQSXDOEZ-CYBMUJFWSA-N	2	0	314.430	-1.173	20	0		DAADRP
C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O	ZINC000912992916	677821278	/nfs/dbraw/zinc/82/12/78/677821278.db2.gz	OIPQWUVENOYSGS-HUBLWGQQSA-N	2	0	312.414	-1.103	20	0		DAADRP
C[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1	ZINC001077778411	677880742	/nfs/dbraw/zinc/88/07/42/677880742.db2.gz	IICAUZNBVVUQEB-RAIGVLPGSA-N	2	0	312.414	-1.247	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1	ZINC001040797544	678256744	/nfs/dbraw/zinc/25/67/44/678256744.db2.gz	JQBDFNSTNFCQPP-OAHLLOKOSA-N	2	0	314.430	-1.031	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1	ZINC001042103137	678314952	/nfs/dbraw/zinc/31/49/52/678314952.db2.gz	BRJDPKJTSCPGDS-CYBMUJFWSA-N	2	0	324.425	-1.134	20	0		DAADRP
C[NH+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1	ZINC001042104904	678315835	/nfs/dbraw/zinc/31/58/35/678315835.db2.gz	UHBYMRAEXJHOGG-QWHCGFSZSA-N	2	0	324.425	-1.278	20	0		DAADRP
C[NH+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1	ZINC001043114758	678365275	/nfs/dbraw/zinc/36/52/75/678365275.db2.gz	ARVHYKZYVHALTG-QWHCGFSZSA-N	2	0	324.425	-1.278	20	0		DAADRP
CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1	ZINC001045713348	678469718	/nfs/dbraw/zinc/46/97/18/678469718.db2.gz	CZJWZVHCYZJGQK-UHFFFAOYSA-N	2	0	314.430	-1.031	20	0		DAADRP
C[C@@H]1CN(C)C[C@H](C(=O)N(C)[C@H]2C[N@H+](CCCO)C[C@@H]2O)O1	ZINC001047428595	678518786	/nfs/dbraw/zinc/51/87/86/678518786.db2.gz	LXKXBVHOYFCZCG-ZOBORPQBSA-N	2	0	315.414	-1.409	20	0		DAADRP
C[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1[NH2+]CC(N)=O	ZINC001054653739	678634038	/nfs/dbraw/zinc/63/40/38/678634038.db2.gz	FMQHBYSCFPWWHQ-WCQYABFASA-N	2	0	322.413	-1.020	20	0		DAADRP
O=C(C[NH+]1CCCC1)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1	ZINC001051931618	678779918	/nfs/dbraw/zinc/77/99/18/678779918.db2.gz	AFQNMMYNJZCZOT-CHWSQXEVSA-N	2	0	310.398	-1.212	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1	ZINC001070275663	678863820	/nfs/dbraw/zinc/86/38/20/678863820.db2.gz	YRTSTSZGWGGZCB-MJBXVCDLSA-N	2	0	322.413	-1.046	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1	ZINC001070275662	678863911	/nfs/dbraw/zinc/86/39/11/678863911.db2.gz	YRTSTSZGWGGZCB-MCIONIFRSA-N	2	0	322.413	-1.046	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1	ZINC001070311284	678864670	/nfs/dbraw/zinc/86/46/70/678864670.db2.gz	WBWNNEOPLPMGGP-MJBXVCDLSA-N	2	0	322.413	-1.046	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1	ZINC001070311283	678864676	/nfs/dbraw/zinc/86/46/76/678864676.db2.gz	WBWNNEOPLPMGGP-MCIONIFRSA-N	2	0	322.413	-1.046	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCNS(C)(=O)=O	ZINC001273909722	782221822	/nfs/dbraw/zinc/22/18/22/782221822.db2.gz	KHRRSGSBUAAVEA-AAOUONPWSA-N	2	0	318.443	-1.108	20	0		DAADRP
C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](C[C@H](O)CO)C2	ZINC001274564626	782284327	/nfs/dbraw/zinc/28/43/27/782284327.db2.gz	KHMBUUDRZVXBQB-ZFWWWQNUSA-N	2	0	315.414	-1.548	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21	ZINC001114778505	782377100	/nfs/dbraw/zinc/37/71/00/782377100.db2.gz	LXSFPWYTFBERKU-YABSGUDNSA-N	2	0	323.397	-1.464	20	0		DAADRP
Cn1cc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)c(=O)n(C)c1=O	ZINC001276321254	782380150	/nfs/dbraw/zinc/38/01/50/782380150.db2.gz	CCLZNMFCKMBNHU-UHFFFAOYSA-N	2	0	321.425	-1.237	20	0		DAADRP
O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O	ZINC001100109491	782555842	/nfs/dbraw/zinc/55/58/42/782555842.db2.gz	GFRSSZTXPCMORQ-ZIAGYGMSSA-N	2	0	315.414	-1.358	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001100871568	782586844	/nfs/dbraw/zinc/58/68/44/782586844.db2.gz	XKOYHOQZRVBBNY-UHFFFAOYSA-N	2	0	323.397	-1.239	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1	ZINC001100984331	782588467	/nfs/dbraw/zinc/58/84/67/782588467.db2.gz	FOJRKIHOCQRMRZ-UHFFFAOYSA-N	2	0	311.386	-1.239	20	0		DAADRP
C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)COCC[NH+](C)C	ZINC001102511252	782618569	/nfs/dbraw/zinc/61/85/69/782618569.db2.gz	PFGONSKUSVMQLX-VXGBXAGGSA-N	2	0	300.403	-1.266	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1[C@@H]2COC[C@@H]21	ZINC001117398090	782689008	/nfs/dbraw/zinc/68/90/08/782689008.db2.gz	YUYSJNHUWQJTDJ-ITGUQSILSA-N	2	0	312.414	-1.301	20	0		DAADRP
[NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC001118325767	782713610	/nfs/dbraw/zinc/71/36/10/782713610.db2.gz	JZSHYLMQZBMCPV-FVCCEPFGSA-N	2	0	310.398	-1.493	20	0		DAADRP
[NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCOCC1	ZINC001118865591	782736292	/nfs/dbraw/zinc/73/62/92/782736292.db2.gz	OTUMLLDLMLRVBK-NSHDSACASA-N	2	0	310.398	-1.037	20	0		DAADRP
C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1	ZINC001118867322	782737474	/nfs/dbraw/zinc/73/74/74/782737474.db2.gz	KFYIEHWTRLJEKF-ZDUSSCGKSA-N	2	0	313.446	-1.064	20	0		DAADRP
C[NH+](C)CCOCC(=O)N1CCC([NH+](CCO)CCO)CC1	ZINC001098532921	775141985	/nfs/dbraw/zinc/14/19/85/775141985.db2.gz	KMHHEBRRKFEODQ-UHFFFAOYSA-N	2	0	317.430	-1.158	20	0		DAADRP
C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CCN1C(=O)CNC1=O	ZINC001267212959	775215078	/nfs/dbraw/zinc/21/50/78/775215078.db2.gz	WLFLYFMRCRLBKP-LLVKDONJSA-N	2	0	311.386	-1.320	20	0		DAADRP
CN(CC[NH2+]CCNS(C)(=O)=O)C(=O)C1CC[NH+](C)CC1	ZINC001267423247	775238908	/nfs/dbraw/zinc/23/89/08/775238908.db2.gz	YIEHCHAPTQHHQJ-UHFFFAOYSA-N	2	0	320.459	-1.075	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1	ZINC001267455660	775240175	/nfs/dbraw/zinc/24/01/75/775240175.db2.gz	ARBQDTVWGPZUPK-LLVKDONJSA-N	2	0	313.402	-1.168	20	0		DAADRP
CN(CC[NH2+]CCNS(C)(=O)=O)C(=O)C[NH+]1CCCC1	ZINC001267468704	775244548	/nfs/dbraw/zinc/24/45/48/775244548.db2.gz	BHNBULILXZGEJT-UHFFFAOYSA-N	2	0	306.432	-1.321	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C[NH+]1CCCC1	ZINC001267469028	775245533	/nfs/dbraw/zinc/24/55/33/775245533.db2.gz	GHEKDWZLMNCMML-UHFFFAOYSA-N	2	0	313.402	-1.024	20	0		DAADRP
C[C@@H]1C[NH2+]C[C@@H](CNC(=O)CN(CC[NH3+])S(C)(=O)=O)C1	ZINC001219646265	775271714	/nfs/dbraw/zinc/27/17/14/775271714.db2.gz	RBEQPSJKUGZUJJ-QWRGUYRKSA-N	2	0	306.432	-1.432	20	0		DAADRP
Cc1ncc(C[NH3+])c(=N)n1C(=O)CN(CC[NH3+])S(C)(=O)=O	ZINC001220043526	775272773	/nfs/dbraw/zinc/27/27/73/775272773.db2.gz	VHWOVGXYFNGCGM-UHFFFAOYSA-N	2	0	316.387	-2.010	20	0		DAADRP
C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(n2cc(CNCCO)nn2)C1	ZINC001105327123	775308573	/nfs/dbraw/zinc/30/85/73/775308573.db2.gz	SZORKLAYHJLIRX-FZMZJTMJSA-N	2	0	322.413	-1.059	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O	ZINC001268316368	775367701	/nfs/dbraw/zinc/36/77/01/775367701.db2.gz	KSTVBOLEZJHZJK-GHMZBOCLSA-N	2	0	307.416	-1.808	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O	ZINC001268580660	775403025	/nfs/dbraw/zinc/40/30/25/775403025.db2.gz	ZXSKUGSORUJGOO-BYCRGOAPSA-N	2	0	311.386	-1.072	20	0		DAADRP
CN(CC(=O)N1[C@H]2COC[C@@H]1CN(CC[NH+](C)C)C2)C(N)=[NH2+]	ZINC001268996142	775432542	/nfs/dbraw/zinc/43/25/42/775432542.db2.gz	IWJMVRIYOLEAFH-TXEJJXNPSA-N	2	0	312.418	-1.715	20	0		DAADRP
C[NH+](C)CCN1CC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)OCC1=O	ZINC001269247707	775451986	/nfs/dbraw/zinc/45/19/86/775451986.db2.gz	JGNCJZUVWSIPIU-CYBMUJFWSA-N	2	0	324.425	-1.061	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001100981036	775645411	/nfs/dbraw/zinc/64/54/11/775645411.db2.gz	RVNFXEPHJYNCET-HSOILSAZSA-N	2	0	311.386	-1.383	20	0		DAADRP
C[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)N1CC[NH+](C)CC1	ZINC001120574901	775733998	/nfs/dbraw/zinc/73/39/98/775733998.db2.gz	SGRXSORCUWCUIN-HOTGVXAUSA-N	3	0	313.490	-1.180	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1	ZINC001127254192	775762940	/nfs/dbraw/zinc/76/29/40/775762940.db2.gz	CZMFZHJMTJNNLU-QWRGUYRKSA-N	2	0	311.386	-1.239	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O	ZINC001272566624	775778324	/nfs/dbraw/zinc/77/83/24/775778324.db2.gz	ABYATGTXKIVOBD-QWRGUYRKSA-N	2	0	314.386	-1.800	20	0		DAADRP
C[C@H]([NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)NC(N)=O	ZINC001127466492	775807239	/nfs/dbraw/zinc/80/72/39/775807239.db2.gz	OPSKBEVJEQTDPF-GXSJLCMTSA-N	2	0	311.386	-1.383	20	0		DAADRP
C[NH+](C)CCn1ccc(C(=O)NCC[NH2+]CC(=O)N2CCC2)n1	ZINC001127576059	775814260	/nfs/dbraw/zinc/81/42/60/775814260.db2.gz	IPJBFPAUSDVQIB-UHFFFAOYSA-N	2	0	322.413	-1.004	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001127643848	775817763	/nfs/dbraw/zinc/81/77/63/775817763.db2.gz	NVYOZIHRMQXUOY-GMTAPVOTSA-N	2	0	313.402	-1.124	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)CC[N@@H+]1C	ZINC001127638501	775818915	/nfs/dbraw/zinc/81/89/15/775818915.db2.gz	KUOBNHFADHCAFN-VXGBXAGGSA-N	2	0	320.459	-1.076	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)CC[N@@H+]1C	ZINC001127690681	775825730	/nfs/dbraw/zinc/82/57/30/775825730.db2.gz	PSIDZJXSJKBGAQ-CHWSQXEVSA-N	2	0	312.414	-1.109	20	0		DAADRP
COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001124879330	775831769	/nfs/dbraw/zinc/83/17/69/775831769.db2.gz	RPGSCZDDWGFMRX-OLZOCXBDSA-N	2	0	303.403	-1.190	20	0		DAADRP
COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001124879329	775831942	/nfs/dbraw/zinc/83/19/42/775831942.db2.gz	RPGSCZDDWGFMRX-CHWSQXEVSA-N	2	0	303.403	-1.190	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O	ZINC001124879394	775832105	/nfs/dbraw/zinc/83/21/05/775832105.db2.gz	SQSFVPHQSBTSJJ-LLVKDONJSA-N	2	0	311.386	-1.272	20	0		DAADRP
O=S(=O)(N[C@@H]1CCS(=O)(=O)C12C[NH2+]C2)[C@H]1CC[NH2+]C1	ZINC001238244998	775838173	/nfs/dbraw/zinc/83/81/73/775838173.db2.gz	ZEDXOCFXKLUTAV-DTWKUNHWSA-N	2	0	309.413	-2.203	20	0		DAADRP
O=S(=O)([C@@H]1CC[NH2+]C1)N1CCO[C@@]2(C1)C[NH2+]CCOC2	ZINC001239023700	775868861	/nfs/dbraw/zinc/86/88/61/775868861.db2.gz	SXWFMONCVHQZSY-VXGBXAGGSA-N	2	0	305.400	-1.631	20	0		DAADRP
CC[C@H](C(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1)[NH+](C)C	ZINC001129071835	776051814	/nfs/dbraw/zinc/05/18/14/776051814.db2.gz	NJRKZQRALDZIPH-UPJWGTAASA-N	2	0	310.402	-1.048	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O	ZINC001081732131	776116311	/nfs/dbraw/zinc/11/63/11/776116311.db2.gz	CZDDFIXHQQSHPK-STQMWFEESA-N	2	0	314.430	-1.175	20	0		DAADRP
CNC(=O)CN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1	ZINC001099969126	776207011	/nfs/dbraw/zinc/20/70/11/776207011.db2.gz	GOUMIJSKHOMCJG-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O	ZINC001099986934	776216909	/nfs/dbraw/zinc/21/69/09/776216909.db2.gz	RJDCZCVEDHXLNE-QWHCGFSZSA-N	2	0	310.402	-1.219	20	0		DAADRP
NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1	ZINC001086373277	776258903	/nfs/dbraw/zinc/25/89/03/776258903.db2.gz	RNWMVADBWKKROY-LPWJVIDDSA-N	2	0	310.398	-1.181	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCOCCO)C[C@H]1O	ZINC001100084146	776261911	/nfs/dbraw/zinc/26/19/11/776261911.db2.gz	XWVSMLBIFUTYCQ-UONOGXRCSA-N	2	0	317.430	-1.112	20	0		DAADRP
[NH3+][C@@H](CO)Cc1cncn1-c1ccnc(N2CC[NH2+]CC2)n1	ZINC001169066471	776285272	/nfs/dbraw/zinc/28/52/72/776285272.db2.gz	DVEUYDBFQXLMHC-LLVKDONJSA-N	2	0	303.370	-1.066	20	0		DAADRP
C[NH+](C)C1(C(=O)NCC[NH2+]CCNS(C)(=O)=O)CCC1	ZINC001129363822	776315102	/nfs/dbraw/zinc/31/51/02/776315102.db2.gz	KLWPDGYPHYMOCV-UHFFFAOYSA-N	2	0	306.432	-1.274	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@]1(O)CCC[NH2+]C1	ZINC001157323462	776379915	/nfs/dbraw/zinc/37/99/15/776379915.db2.gz	RBYOOBYDLFJJPO-FZMZJTMJSA-N	2	0	300.403	-1.149	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)CC[NH+]1CCN(C)CC1	ZINC001157323315	776379923	/nfs/dbraw/zinc/37/99/23/776379923.db2.gz	OPDVLIHDFYPZMA-ZDUSSCGKSA-N	2	0	313.446	-1.016	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C	ZINC001129448578	776470784	/nfs/dbraw/zinc/47/07/84/776470784.db2.gz	BTQPVJOGMYOTDP-KOLCDFICSA-N	2	0	313.402	-1.124	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C	ZINC001129448579	776471092	/nfs/dbraw/zinc/47/10/92/776471092.db2.gz	BTQPVJOGMYOTDP-MWLCHTKSSA-N	2	0	313.402	-1.124	20	0		DAADRP
CC(C)[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C	ZINC001129950246	776486421	/nfs/dbraw/zinc/48/64/21/776486421.db2.gz	PEPFFDFMLOOAGG-LBPRGKRZSA-N	2	0	313.402	-1.170	20	0		DAADRP
C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1	ZINC001129992029	776490027	/nfs/dbraw/zinc/49/00/27/776490027.db2.gz	IQKBNJFAXLVYKK-XQQFMLRXSA-N	2	0	310.402	-1.048	20	0		DAADRP
CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1	ZINC001130047576	776493019	/nfs/dbraw/zinc/49/30/19/776493019.db2.gz	IKDLDFPDZPCBNI-OLZOCXBDSA-N	2	0	310.402	-1.046	20	0		DAADRP
CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1	ZINC001130047482	776493048	/nfs/dbraw/zinc/49/30/48/776493048.db2.gz	DCRYDRJQVMSXNA-NEPJUHHUSA-N	2	0	323.401	-1.553	20	0		DAADRP
CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1	ZINC001130107223	776494000	/nfs/dbraw/zinc/49/40/00/776494000.db2.gz	JYDWKMHBIPYOEC-OLZOCXBDSA-N	2	0	310.402	-1.046	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H](O)[C@H](CO)C1	ZINC001157936524	776499202	/nfs/dbraw/zinc/49/92/02/776499202.db2.gz	HBRZINRVUAEINF-DRZSPHRISA-N	2	0	300.403	-2.062	20	0		DAADRP
C[C@@H]([NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1)C(N)=O	ZINC001130231649	776499235	/nfs/dbraw/zinc/49/92/35/776499235.db2.gz	AHNOAXRQPYQAMD-LLVKDONJSA-N	2	0	300.403	-1.076	20	0		DAADRP
C[C@]1(CO)CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC[C@H]1O	ZINC001157946466	776506609	/nfs/dbraw/zinc/50/66/09/776506609.db2.gz	NKBBPDZZASYGEJ-UMVBOHGHSA-N	2	0	314.430	-1.671	20	0		DAADRP
CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC	ZINC001130418969	776509909	/nfs/dbraw/zinc/50/99/09/776509909.db2.gz	DXDFIKIKWLPBTN-UHFFFAOYSA-N	2	0	301.391	-1.122	20	0		DAADRP
Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]CC(N)=O)c1	ZINC001130669903	776525126	/nfs/dbraw/zinc/52/51/26/776525126.db2.gz	MKIOMZCWOSMQEN-WCQYABFASA-N	2	0	322.413	-1.259	20	0		DAADRP
C[C@H]([NH2+]CCNC(=O)C12CCC[NH+]1CCC2)C(=O)NC(N)=O	ZINC001130810530	776534453	/nfs/dbraw/zinc/53/44/53/776534453.db2.gz	VCPKSPSIRWTZKK-JTQLQIEISA-N	2	0	311.386	-1.096	20	0		DAADRP
O=C(NCC[NH2+][C@@H]1CCNC1=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131519279	776571988	/nfs/dbraw/zinc/57/19/88/776571988.db2.gz	CJYFPSKBUGUPGY-HFXYEQLZSA-N	2	0	308.382	-1.556	20	0		DAADRP
O=C(NCC[NH2+][C@H]1CCNC1=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131519282	776572208	/nfs/dbraw/zinc/57/22/08/776572208.db2.gz	CJYFPSKBUGUPGY-XWAURUHHSA-N	2	0	308.382	-1.556	20	0		DAADRP
COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131519428	776573386	/nfs/dbraw/zinc/57/33/86/776573386.db2.gz	FETZJAHCEVZWRQ-ICRTXTNUSA-N	2	0	313.398	-1.437	20	0		DAADRP
CN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O	ZINC001131521530	776573552	/nfs/dbraw/zinc/57/35/52/776573552.db2.gz	ANKWMBQVYXAHCI-BTJONVMOSA-N	2	0	322.409	-1.214	20	0		DAADRP
CC[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C(N)=O	ZINC001131521571	776573581	/nfs/dbraw/zinc/57/35/81/776573581.db2.gz	BUWYRGCNWNCJMQ-HFXYEQLZSA-N	2	0	310.398	-1.181	20	0		DAADRP
O=C(NCC[NH2+][C@H]1CCCNC1=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131520236	776574080	/nfs/dbraw/zinc/57/40/80/776574080.db2.gz	VQKGBMKFQKATSA-BTJONVMOSA-N	2	0	322.409	-1.166	20	0		DAADRP
CC[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C(N)=O	ZINC001131521573	776574165	/nfs/dbraw/zinc/57/41/65/776574165.db2.gz	BUWYRGCNWNCJMQ-WVIDZAQPSA-N	2	0	310.398	-1.181	20	0		DAADRP
COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1	ZINC001132848843	776643079	/nfs/dbraw/zinc/64/30/79/776643079.db2.gz	TZGMJWQMDHWAGJ-OLZOCXBDSA-N	2	0	303.403	-1.191	20	0		DAADRP
CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOCCO)C1	ZINC001132848990	776643323	/nfs/dbraw/zinc/64/33/23/776643323.db2.gz	YCULTBPHHDMJOH-CYBMUJFWSA-N	2	0	303.403	-1.190	20	0		DAADRP
CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1	ZINC001132858608	776643566	/nfs/dbraw/zinc/64/35/66/776643566.db2.gz	BMEZAUHFIXYZQA-GFCCVEGCSA-N	2	0	300.403	-1.063	20	0		DAADRP
CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C)C1	ZINC001132848369	776643694	/nfs/dbraw/zinc/64/36/94/776643694.db2.gz	GPTBYVHYICJRSR-LBPRGKRZSA-N	2	0	300.403	-1.110	20	0		DAADRP
C[NH+](C)CC1(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CC1	ZINC001132995398	776648047	/nfs/dbraw/zinc/64/80/47/776648047.db2.gz	RNLVPYUQHVHPBH-UHFFFAOYSA-N	2	0	311.386	-1.414	20	0		DAADRP
C[NH+](C)CCCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1	ZINC001133040533	776650503	/nfs/dbraw/zinc/65/05/03/776650503.db2.gz	VXXAQWMPMCBJHV-UHFFFAOYSA-N	2	0	313.402	-2.008	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C	ZINC001133040332	776650897	/nfs/dbraw/zinc/65/08/97/776650897.db2.gz	LXITWTINUNVSAD-UHFFFAOYSA-N	2	0	301.391	-1.120	20	0		DAADRP
C[NH+]1CCC(C(=O)NCC[NH2+]CCNS(C)(=O)=O)CC1	ZINC001133281667	776663425	/nfs/dbraw/zinc/66/34/25/776663425.db2.gz	GUBBLXMIFXIKGT-UHFFFAOYSA-N	2	0	306.432	-1.417	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1	ZINC001133285928	776663680	/nfs/dbraw/zinc/66/36/80/776663680.db2.gz	OYHOSVLWHFLXIJ-UHFFFAOYSA-N	2	0	313.402	-1.120	20	0		DAADRP
C[C@H](NC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C)C(=O)N(C)C	ZINC001133294709	776664962	/nfs/dbraw/zinc/66/49/62/776664962.db2.gz	QFFWVMIIOXLYFD-NSHDSACASA-N	2	0	315.418	-1.763	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1	ZINC001133845340	776678589	/nfs/dbraw/zinc/67/85/89/776678589.db2.gz	BWMWCJQUESDZRA-LLVKDONJSA-N	2	0	311.386	-1.414	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001133845328	776679341	/nfs/dbraw/zinc/67/93/41/776679341.db2.gz	BGZOYCYASWBIKO-LLVKDONJSA-N	2	0	313.402	-1.120	20	0		DAADRP
C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O	ZINC001133863511	776680269	/nfs/dbraw/zinc/68/02/69/776680269.db2.gz	MXQYEVXIZWYRSV-QWRGUYRKSA-N	2	0	311.386	-1.558	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)C1	ZINC001133845683	776681141	/nfs/dbraw/zinc/68/11/41/776681141.db2.gz	LPFMIFZLRWOFEF-LBPRGKRZSA-N	2	0	320.459	-1.075	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C	ZINC001133863782	776681351	/nfs/dbraw/zinc/68/13/51/776681351.db2.gz	PFCZPEYRELPTDW-RYUDHWBXSA-N	2	0	320.459	-1.171	20	0		DAADRP
CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)[NH+](C)C	ZINC001133968046	776686528	/nfs/dbraw/zinc/68/65/28/776686528.db2.gz	LSGZAWWPOCORST-UWVGGRQHSA-N	2	0	301.391	-1.124	20	0		DAADRP
C[NH+]1CCC(CC(=O)NCC[NH2+]CCNS(C)(=O)=O)CC1	ZINC001134780310	776722113	/nfs/dbraw/zinc/72/21/13/776722113.db2.gz	ABMIPBJDOMJWFQ-UHFFFAOYSA-N	2	0	320.459	-1.027	20	0		DAADRP
CN1CC[C@H]([NH2+]CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1=O	ZINC001135118462	776737659	/nfs/dbraw/zinc/73/76/59/776737659.db2.gz	OCEQEJHZSUEHRC-ZDUSSCGKSA-N	2	0	322.413	-1.005	20	0		DAADRP
CCNC(=O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1	ZINC001135959615	776775933	/nfs/dbraw/zinc/77/59/33/776775933.db2.gz	RDQJPIXWKDZBEK-UHFFFAOYSA-N	2	0	300.403	-1.061	20	0		DAADRP
O=S(=O)(CC[NH2+][C@@H]1CCOC2(C[NH2+]C2)C1)N1CCNCC1	ZINC001246098261	776786337	/nfs/dbraw/zinc/78/63/37/776786337.db2.gz	AJSSAKSCTYJUJQ-GFCCVEGCSA-N	2	0	318.443	-1.668	20	0		DAADRP
O=C([C@@H]1C[C@H](NC[C@H]2C[NH2+]CCO2)C[NH2+]1)N1CCSC1	ZINC001246088089	776786822	/nfs/dbraw/zinc/78/68/22/776786822.db2.gz	ISAQNXKCHXOJNA-TUAOUCFPSA-N	2	0	300.428	-1.172	20	0		DAADRP
[NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1	ZINC001120420642	779520412	/nfs/dbraw/zinc/52/04/12/779520412.db2.gz	MVWOZBRVBFNRSY-CYDGBPFRSA-N	2	0	310.398	-1.181	20	0		DAADRP
C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)C[NH+]1CCN(C)CC1	ZINC001120524346	779524613	/nfs/dbraw/zinc/52/46/13/779524613.db2.gz	JBTDZIRKLBSKBQ-LBPRGKRZSA-N	2	0	311.430	-1.406	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1	ZINC001124872432	779603987	/nfs/dbraw/zinc/60/39/87/779603987.db2.gz	FWLJNJBWYSIDLC-NSHDSACASA-N	2	0	311.386	-1.225	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1	ZINC001124867163	779604801	/nfs/dbraw/zinc/60/48/01/779604801.db2.gz	STVTUHLWQRLTIX-CHWSQXEVSA-N	2	0	312.414	-1.061	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)C1	ZINC001151048379	779669687	/nfs/dbraw/zinc/66/96/87/779669687.db2.gz	AOUNTRQPXPVXDV-SNVBAGLBSA-N	2	0	311.386	-1.368	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)C1	ZINC001151049641	779669889	/nfs/dbraw/zinc/66/98/89/779669889.db2.gz	VDVHZAKEIOVOBG-LBPRGKRZSA-N	2	0	318.443	-1.321	20	0		DAADRP
O=C(C[NH2+]CCNC(=O)C[NH+]1CCCC1)NC[C@@H]1CCOC1	ZINC001151101598	779670799	/nfs/dbraw/zinc/67/07/99/779670799.db2.gz	USUUUVREIFKLGB-ZDUSSCGKSA-N	2	0	312.414	-1.059	20	0		DAADRP
COCCOC[C@@H](O)C[NH2+]CCNC(=O)C[NH+]1CCCC1	ZINC001151101594	779671668	/nfs/dbraw/zinc/67/16/68/779671668.db2.gz	ULOAVVBJRFMBRS-ZDUSSCGKSA-N	2	0	303.403	-1.188	20	0		DAADRP
O=C(C[NH2+]CCNC(=O)C[NH+]1CCCC1)NC(=O)NC1CC1	ZINC001151098406	779671710	/nfs/dbraw/zinc/67/17/10/779671710.db2.gz	ZRXRBAPRZDZWMR-UHFFFAOYSA-N	2	0	311.386	-1.224	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O	ZINC001151159271	779673151	/nfs/dbraw/zinc/67/31/51/779673151.db2.gz	RIGAUUQHGTVQCV-CHWSQXEVSA-N	2	0	312.414	-1.109	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1	ZINC001151159260	779673319	/nfs/dbraw/zinc/67/33/19/779673319.db2.gz	RFKMHGXTACDWPG-RYUDHWBXSA-N	2	0	300.403	-1.205	20	0		DAADRP
CC[C@@H]([NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1)C(N)=O	ZINC001151156747	779673464	/nfs/dbraw/zinc/67/34/64/779673464.db2.gz	GTCNBYDDEIYYFL-VXGBXAGGSA-N	2	0	300.403	-1.076	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@H]1CCN(C)C1=O	ZINC001151159278	779673586	/nfs/dbraw/zinc/67/35/86/779673586.db2.gz	RIGAUUQHGTVQCV-STQMWFEESA-N	2	0	312.414	-1.109	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])c1cncc(N2CC[NH2+]CC2)n1	ZINC001154770464	779725552	/nfs/dbraw/zinc/72/55/52/779725552.db2.gz	JQJTVLPMUFDBQW-UHFFFAOYSA-N	2	0	300.388	-1.389	20	0		DAADRP
O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cncc(N3CC[NH2+]CC3)n2)N1	ZINC001155570414	779732904	/nfs/dbraw/zinc/73/29/04/779732904.db2.gz	MXBQVTWYOWQFPX-QMTHXVAHSA-N	2	0	303.370	-1.124	20	0		DAADRP
CN(c1ccc(N2CC[NH2+]CC2)nn1)S(=O)(=O)CC[NH3+]	ZINC001156231228	779739970	/nfs/dbraw/zinc/73/99/70/779739970.db2.gz	AJBRJMOARXPQLR-UHFFFAOYSA-N	2	0	300.388	-1.389	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1ncn2c1C[NH2+]CC2	ZINC001157355467	779752094	/nfs/dbraw/zinc/75/20/94/779752094.db2.gz	QABAMDMNWSIARR-JTQLQIEISA-N	2	0	308.386	-1.040	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21	ZINC001157337085	779752149	/nfs/dbraw/zinc/75/21/49/779752149.db2.gz	UJLBDYPZHCFDCE-NDBYEHHHSA-N	2	0	312.414	-1.029	20	0		DAADRP
CCOC(=O)C1(C(=O)N[C@@H](CCCC[NH3+])C(=O)NC)C[NH2+]C1	ZINC001157324182	779752363	/nfs/dbraw/zinc/75/23/63/779752363.db2.gz	UOVGANUXIKKJDV-JTQLQIEISA-N	2	0	314.386	-1.501	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]Cc2ccnn2C1	ZINC001157323045	779752506	/nfs/dbraw/zinc/75/25/06/779752506.db2.gz	KBGZWXPBOCJDBO-YPMHNXCESA-N	2	0	322.413	-1.038	20	0		DAADRP
[NH3+]CCCC[C@H](NC(=O)C[C@H](O)C[NH3+])C(=O)N1CCCC1	ZINC001157369165	779753123	/nfs/dbraw/zinc/75/31/23/779753123.db2.gz	QBXCPFWZIPHOPA-RYUDHWBXSA-N	2	0	300.403	-1.068	20	0		DAADRP
[NH3+]CCCC[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])CN1)C(=O)N1CCCC1	ZINC001157380141	779753290	/nfs/dbraw/zinc/75/32/90/779753290.db2.gz	WYRQNLCGLATLRW-AGIUHOORSA-N	2	0	311.430	-1.088	20	0		DAADRP
[NH3+]CCCC[C@H](NC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C(=O)N1CCCC1	ZINC001157371271	779753457	/nfs/dbraw/zinc/75/34/57/779753457.db2.gz	RSXVYCMCDOIILU-AVGNSLFASA-N	2	0	312.414	-1.055	20	0		DAADRP
COC(=O)N1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1	ZINC001157508397	779756301	/nfs/dbraw/zinc/75/63/01/779756301.db2.gz	UBQDIQMNEGTOMN-LBPRGKRZSA-N	2	0	313.402	-1.353	20	0		DAADRP
CC1([NH3+])CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1	ZINC001157643964	779757582	/nfs/dbraw/zinc/75/75/82/779757582.db2.gz	KMGNATPVMIEQTL-RYUDHWBXSA-N	3	0	311.430	-1.007	20	0		DAADRP
CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N(C)C[C@H]1C[NH2+]CCO1	ZINC001157721524	779757701	/nfs/dbraw/zinc/75/77/01/779757701.db2.gz	ZBLBOFSTPVNILJ-NEPJUHHUSA-N	2	0	300.403	-1.077	20	0		DAADRP
CS(=O)(=O)c1nc2c(c(N3C[C@@H]4C[NH2+][C@@H]4C3)n1)CC[NH2+]CC2	ZINC001157619197	779757926	/nfs/dbraw/zinc/75/79/26/779757926.db2.gz	ZNEVRLISIGDCSZ-JOYOIKCWSA-N	2	0	323.422	-1.024	20	0		DAADRP
[NH3+]C[C@@]1(F)CCCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1	ZINC001157739814	779759310	/nfs/dbraw/zinc/75/93/10/779759310.db2.gz	KAKNILPXMSZQHT-DGCLKSJQSA-N	2	0	300.378	-1.004	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H](C[NH3+])[C@@H]1C	ZINC001157846343	779759416	/nfs/dbraw/zinc/75/94/16/779759416.db2.gz	HCJWHZCLPUGTLJ-MMWGEVLESA-N	2	0	313.402	-1.720	20	0		DAADRP
O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158093524	779765391	/nfs/dbraw/zinc/76/53/91/779765391.db2.gz	WPMVMMMGYOQRDN-YFCNSXCBSA-N	2	0	308.382	-1.556	20	0		DAADRP
CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001158028329	779765610	/nfs/dbraw/zinc/76/56/10/779765610.db2.gz	OZJPIDJTUMIIHK-CHWSQXEVSA-N	2	0	316.446	-1.283	20	0		DAADRP
O=C(N1CC(=O)NC[C@@]12CC[NH2+]C2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001158092712	779765661	/nfs/dbraw/zinc/76/56/61/779765661.db2.gz	PIHXTUBGZFLRQL-BYCMXARLSA-N	3	0	307.398	-2.124	20	0		DAADRP
O=C([C@@H]1CC[C@]2(C1)C[NH2+]CCO2)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158091701	779765677	/nfs/dbraw/zinc/76/56/77/779765677.db2.gz	HAVWDTVTUDARQC-WQVCFCJDSA-N	2	0	322.409	-1.164	20	0		DAADRP
[NH3+][C@@H](Cc1cscn1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158094024	779765818	/nfs/dbraw/zinc/76/58/18/779765818.db2.gz	ZJZVOTLMGVPRNJ-GXFFZTMASA-N	2	0	309.395	-1.297	20	0		DAADRP
O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158093932	779765842	/nfs/dbraw/zinc/76/58/42/779765842.db2.gz	YSAUCPCAAKDBCD-ZWNOBZJWSA-N	2	0	309.370	-2.993	20	0		DAADRP
O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158092726	779765879	/nfs/dbraw/zinc/76/58/79/779765879.db2.gz	PUVPCSQZEIQQJW-FOCJUVANSA-N	2	0	322.409	-1.309	20	0		DAADRP
O=C([C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158091753	779765894	/nfs/dbraw/zinc/76/58/94/779765894.db2.gz	IAHMHBJDXSBRLU-OHTBPHCPSA-N	2	0	308.382	-1.556	20	0		DAADRP
C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158100912	779766758	/nfs/dbraw/zinc/76/67/58/779766758.db2.gz	CMROEZWHUCZRSC-PGUXBMHVSA-N	2	0	323.397	-1.985	20	0		DAADRP
O=C([C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158102703	779766799	/nfs/dbraw/zinc/76/67/99/779766799.db2.gz	VYBPRYIIYFEDKG-FMVNMVDZSA-N	2	0	308.382	-1.699	20	0		DAADRP
O=C([C@@H]1C[NH2+]C[C@H](O)C1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158110777	779766808	/nfs/dbraw/zinc/76/68/08/779766808.db2.gz	ISHXFTUKXTYHFO-RWSFTLGLSA-N	2	0	308.382	-2.105	20	0		DAADRP
N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158102586	779766856	/nfs/dbraw/zinc/76/68/56/779766856.db2.gz	UJNZOZLGQRKQJI-WFASDCNBSA-N	2	0	324.429	-2.573	20	0		DAADRP
[NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158102436	779766890	/nfs/dbraw/zinc/76/68/90/779766890.db2.gz	RXLYKEYZZBBGHR-IINYFYTJSA-N	2	0	309.370	-2.373	20	0		DAADRP
O=C([C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158102706	779766916	/nfs/dbraw/zinc/76/69/16/779766916.db2.gz	VYBPRYIIYFEDKG-YODMDTAWSA-N	2	0	308.382	-1.699	20	0		DAADRP
C[NH2+][C@@H]1CCCN(CC(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)C1	ZINC001158102912	779767075	/nfs/dbraw/zinc/76/70/75/779767075.db2.gz	XZMQXZOCIBFZML-IUODEOHRSA-N	2	0	309.414	-1.639	20	0		DAADRP
CC(C)(C)[N@@H+]1CCN[C@H](C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)C1	ZINC001158102721	779767082	/nfs/dbraw/zinc/76/70/82/779767082.db2.gz	WDGRSBJQQHFMGK-BLLLJJGKSA-N	2	0	323.441	-1.251	20	0		DAADRP
CN(CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)[C@@H]1CCC[NH2+]C1	ZINC001158102668	779767091	/nfs/dbraw/zinc/76/70/91/779767091.db2.gz	VCTGFAKJQUJNJZ-IUODEOHRSA-N	2	0	309.414	-1.639	20	0		DAADRP
N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158102579	779767096	/nfs/dbraw/zinc/76/70/96/779767096.db2.gz	UJNZOZLGQRKQJI-DOMZBBRYSA-N	2	0	324.429	-2.573	20	0		DAADRP
O=C(CNC1CC[NH2+]CC1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158110396	779767137	/nfs/dbraw/zinc/76/71/37/779767137.db2.gz	GZCSECASWAVTCP-MRXNPFEDSA-N	2	0	321.425	-1.734	20	0		DAADRP
O=C(c1cnc2n1CC[NH2+]CC2)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158109903	779767161	/nfs/dbraw/zinc/76/71/61/779767161.db2.gz	FLKPLLBQISEMCY-HNNXBMFYSA-N	2	0	318.381	-1.667	20	0		DAADRP
[NH3+][C@H]1CCCCN(CC(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)C1=O	ZINC001158100689	779767196	/nfs/dbraw/zinc/76/71/96/779767196.db2.gz	AIIDMALXCKDQCZ-XHDPSFHLSA-N	2	0	323.397	-1.983	20	0		DAADRP
O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158111014	779767412	/nfs/dbraw/zinc/76/74/12/779767412.db2.gz	JDTZEMAPPXEZBI-MEDUHNTESA-N	3	0	319.409	-2.267	20	0		DAADRP
O=C(N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)[C@]12C[NH2+]C[C@H]1COC2	ZINC001158109304	779767425	/nfs/dbraw/zinc/76/74/25/779767425.db2.gz	ATHKNGTVIFGRPW-KNXALSJPSA-N	2	0	320.393	-1.840	20	0		DAADRP
O=C(N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)[C@]12C[NH2+]C[C@H]1COC2	ZINC001158109305	779767487	/nfs/dbraw/zinc/76/74/87/779767487.db2.gz	ATHKNGTVIFGRPW-UVBJJODRSA-N	2	0	320.393	-1.840	20	0		DAADRP
CN1CC[NH2+]C[C@@H]1C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158118829	779768003	/nfs/dbraw/zinc/76/80/03/779768003.db2.gz	DQHXXBUEYWAHNI-IAQYHMDHSA-N	2	0	307.398	-2.172	20	0		DAADRP
N[C@@H](C[NH3+])c1ccc(C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)cc1	ZINC001158112508	779768089	/nfs/dbraw/zinc/76/80/89/779768089.db2.gz	YYRVAZSOBJUXHR-BBRMVZONSA-N	2	0	317.393	-1.051	20	0		DAADRP
O=C(C[C@H]1C[NH2+]CCO1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158118681	779768176	/nfs/dbraw/zinc/76/81/76/779768176.db2.gz	CNOBKKNACLAOIA-NHYWBVRUSA-N	2	0	308.382	-1.697	20	0		DAADRP
O=C([C@@H]1C[NH2+]C[C@H](F)C1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158112159	779768189	/nfs/dbraw/zinc/76/81/89/779768189.db2.gz	WFXUSTORJDTOGW-RWSFTLGLSA-N	2	0	310.373	-1.128	20	0		DAADRP
CN1CC[NH2+]C[C@H]1C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158118832	779768200	/nfs/dbraw/zinc/76/82/00/779768200.db2.gz	DQHXXBUEYWAHNI-XHDPSFHLSA-N	2	0	307.398	-2.172	20	0		DAADRP
NC(=[NH2+])NCCCCC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158119894	779768283	/nfs/dbraw/zinc/76/82/83/779768283.db2.gz	IXOJKOXUBFLENX-OAHLLOKOSA-N	2	0	322.413	-1.422	20	0		DAADRP
N[C@H](C[NH3+])c1ccc(C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)cc1	ZINC001158112510	779768417	/nfs/dbraw/zinc/76/84/17/779768417.db2.gz	YYRVAZSOBJUXHR-CZUORRHYSA-N	2	0	317.393	-1.051	20	0		DAADRP
[NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158111499	779768587	/nfs/dbraw/zinc/76/85/87/779768587.db2.gz	ONUQVUBQIWAHHH-NHYWBVRUSA-N	2	0	318.381	-1.782	20	0		DAADRP
N[C@@]1(C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CCC[NH2+]C1	ZINC001158118661	779768687	/nfs/dbraw/zinc/76/86/87/779768687.db2.gz	CHNJWTQWGITURX-CABCVRRESA-N	2	0	307.398	-1.995	20	0		DAADRP
N[C@]1(C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CCC[NH2+]C1	ZINC001158118667	779768759	/nfs/dbraw/zinc/76/87/59/779768759.db2.gz	CHNJWTQWGITURX-LSDHHAIUSA-N	2	0	307.398	-1.995	20	0		DAADRP
CC(=O)OC[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158111140	779768782	/nfs/dbraw/zinc/76/87/82/779768782.db2.gz	KPSCFBHARKWKRX-IINYFYTJSA-N	2	0	310.354	-2.185	20	0		DAADRP
O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158111604	779768909	/nfs/dbraw/zinc/76/89/09/779768909.db2.gz	PBBXVABUSIIYAM-CQSZACIVSA-N	2	0	304.354	-1.641	20	0		DAADRP
O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158119846	779768931	/nfs/dbraw/zinc/76/89/31/779768931.db2.gz	HWGUDWMOAYNSCU-SGIREYDYSA-N	2	0	304.394	-1.076	20	0		DAADRP
[NH3+][C@H](C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)C1CCOCC1	ZINC001158118585	779768935	/nfs/dbraw/zinc/76/89/35/779768935.db2.gz	AWHWLEKHIULRPT-BLLLJJGKSA-N	2	0	322.409	-1.322	20	0		DAADRP
[NH3+][C@@H](C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)C1CC[NH2+]CC1	ZINC001158120356	779768946	/nfs/dbraw/zinc/76/89/46/779768946.db2.gz	LDXIAIXYHFKBFW-WBMJQRKESA-N	3	0	321.425	-1.749	20	0		DAADRP
[NH3+][C@@H](CC(F)F)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158121481	779769500	/nfs/dbraw/zinc/76/95/00/779769500.db2.gz	UUWCVZURXSQCIV-ISVAXAHUSA-N	2	0	302.325	-1.093	20	0		DAADRP
O=C(C[C@@H]1COCC[NH2+]1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158120598	779769723	/nfs/dbraw/zinc/76/97/23/779769723.db2.gz	OJJIUQPVIJGRAW-ABAIWWIYSA-N	2	0	308.382	-1.697	20	0		DAADRP
O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158120719	779769900	/nfs/dbraw/zinc/76/99/00/779769900.db2.gz	POONEHAODYDWGL-PVTKRXDGSA-N	2	0	319.409	-2.126	20	0		DAADRP
O=C(C[C@H]1COCC[NH2+]1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158120601	779769938	/nfs/dbraw/zinc/76/99/38/779769938.db2.gz	OJJIUQPVIJGRAW-NHYWBVRUSA-N	2	0	308.382	-1.697	20	0		DAADRP
O=C(C1CC2(C[NH2+]C2)C1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158120963	779770137	/nfs/dbraw/zinc/77/01/37/779770137.db2.gz	QFSPQHWXIMMGTN-INIZCTEOSA-N	2	0	304.394	-1.076	20	0		DAADRP
O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158120715	779770168	/nfs/dbraw/zinc/77/01/68/779770168.db2.gz	POONEHAODYDWGL-OVZMXSCWSA-N	2	0	319.409	-2.126	20	0		DAADRP
O=C([C@@H]1CNC(=O)C12CC[NH2+]CC2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1	ZINC001158168697	779771172	/nfs/dbraw/zinc/77/11/72/779771172.db2.gz	XGNOHSFRRYEJRH-FRRDWIJNSA-N	2	0	322.409	-1.451	20	0		DAADRP
CC(=O)NCSC[C@H]([NH3+])C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1	ZINC001158168678	779771259	/nfs/dbraw/zinc/77/12/59/779771259.db2.gz	WXZDMNKXZPMRCP-GRYCIOLGSA-N	2	0	316.427	-1.413	20	0		DAADRP
COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2	ZINC001158235413	779772067	/nfs/dbraw/zinc/77/20/67/779772067.db2.gz	IZTQPNSTPLHQJL-KWBADKCTSA-N	2	0	317.411	-1.346	20	0		DAADRP
COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2	ZINC001158235453	779772141	/nfs/dbraw/zinc/77/21/41/779772141.db2.gz	KTEJQGSHDFAJJE-PGUXBMHVSA-N	2	0	309.366	-1.557	20	0		DAADRP
[NH3+]CCC[C@H]([NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158259924	779772170	/nfs/dbraw/zinc/77/21/70/779772170.db2.gz	ACTBTYPLUHTOFS-NSHDSACASA-N	3	0	307.402	-1.235	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1)C(N)=O	ZINC001158306381	779772352	/nfs/dbraw/zinc/77/23/52/779772352.db2.gz	RNAOYRKMGALFID-UKKRHICBSA-N	2	0	311.386	-2.096	20	0		DAADRP
O=C([C@@H]1C[NH2+]CCC1=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158277986	779772456	/nfs/dbraw/zinc/77/24/56/779772456.db2.gz	ZUNQBRURRPCWBU-LLVKDONJSA-N	2	0	318.381	-1.122	20	0		DAADRP
N[C@@]1(C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)CCC[NH2+]C1	ZINC001158277969	779772704	/nfs/dbraw/zinc/77/27/04/779772704.db2.gz	ZFLTZQZGJBWFIL-HNNXBMFYSA-N	2	0	319.413	-1.220	20	0		DAADRP
O=C([C@@H]1C[NH2+]CCN1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158277682	779772803	/nfs/dbraw/zinc/77/28/03/779772803.db2.gz	RTWAAMHOEJEXBJ-NSHDSACASA-N	2	0	305.386	-1.740	20	0		DAADRP
O=C([C@H]1C[NH2+]C[C@@H]1O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158277836	779772866	/nfs/dbraw/zinc/77/28/66/779772866.db2.gz	VWLDPPUBKFWIPF-QWRGUYRKSA-N	2	0	306.370	-1.721	20	0		DAADRP
COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2	ZINC001158235247	779772885	/nfs/dbraw/zinc/77/28/85/779772885.db2.gz	ANHHBQCGQCOZKI-KOZAUXTDSA-N	2	0	323.393	-1.167	20	0		DAADRP
O=C([C@@H]1C[C@H](O)C[NH2+]1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158276641	779772911	/nfs/dbraw/zinc/77/29/11/779772911.db2.gz	BOTMBRRJKXOTFL-QWRGUYRKSA-N	2	0	306.370	-1.578	20	0		DAADRP
O=C([C@H]1C[NH2+]CCC1=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158277987	779772999	/nfs/dbraw/zinc/77/29/99/779772999.db2.gz	ZUNQBRURRPCWBU-NSHDSACASA-N	2	0	318.381	-1.122	20	0		DAADRP
O=C([C@H]1C[C@@H](O)C[NH2+]1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158260049	779773067	/nfs/dbraw/zinc/77/30/67/779773067.db2.gz	BOTMBRRJKXOTFL-GHMZBOCLSA-N	2	0	306.370	-1.578	20	0		DAADRP
[NH3+]Cc1cnnn1-c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2	ZINC001158428449	779775050	/nfs/dbraw/zinc/77/50/50/779775050.db2.gz	YOGRAYHCVHEKPX-UHFFFAOYSA-N	2	0	302.342	-1.044	20	0		DAADRP
Cn1nnnc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001158486820	779776288	/nfs/dbraw/zinc/77/62/88/779776288.db2.gz	SAQXHNPGSZZPJP-NWDGAFQWSA-N	2	0	323.401	-1.331	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[NH2+]CC[C@@H]1O	ZINC001158496652	779776583	/nfs/dbraw/zinc/77/65/83/779776583.db2.gz	WGRNQGDTNCJNKI-OFTGVCEQSA-N	2	0	311.382	-1.291	20	0		DAADRP
Cn1nnnc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001158486822	779777074	/nfs/dbraw/zinc/77/70/74/779777074.db2.gz	SAQXHNPGSZZPJP-VXGBXAGGSA-N	2	0	323.401	-1.331	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]([NH3+])COC(C)=O	ZINC001158496305	779777201	/nfs/dbraw/zinc/77/72/01/779777201.db2.gz	MMEGOKGBNZVHNG-FIQHERPVSA-N	2	0	313.354	-1.371	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)/C=C/C(=O)NCC[NH3+]	ZINC001158495960	779777239	/nfs/dbraw/zinc/77/72/39/779777239.db2.gz	HFNONVAWKVDJDB-JJVHAXESSA-N	2	0	324.381	-1.631	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[NH2+]CCN1C	ZINC001158505823	779777241	/nfs/dbraw/zinc/77/72/41/779777241.db2.gz	FVIXKKTYAPRIJM-RVMXOQNASA-N	2	0	310.398	-1.358	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@]12C[NH2+]C[C@H]1CCN2	ZINC001158495625	779777262	/nfs/dbraw/zinc/77/72/62/779777262.db2.gz	AGCPDJBMZAFALY-SMTWKSNJSA-N	2	0	322.409	-1.310	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]([NH3+])Cn1cccn1	ZINC001158496234	779777278	/nfs/dbraw/zinc/77/72/78/779777278.db2.gz	LIOKHBBSVACUPN-ZDEQEGDKSA-N	2	0	321.381	-1.038	20	0		DAADRP
COCCN1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1	ZINC001158605355	779777619	/nfs/dbraw/zinc/77/76/19/779777619.db2.gz	WVCHMKAEHJHUNL-CQSZACIVSA-N	2	0	313.446	-1.473	20	0		DAADRP
O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3	ZINC001158534004	779777791	/nfs/dbraw/zinc/77/77/91/779777791.db2.gz	QKIAWSKYHAPBSN-NFFDBFGFSA-N	3	0	306.410	-1.225	20	0		DAADRP
O=C([C@H]1NC(=O)CC12C[NH2+]C2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3	ZINC001158535974	779777814	/nfs/dbraw/zinc/77/78/14/779777814.db2.gz	ZYRWVXPQDVRYCA-LRQBHLAOSA-N	2	0	320.393	-1.556	20	0		DAADRP
O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3	ZINC001158534006	779777921	/nfs/dbraw/zinc/77/79/21/779777921.db2.gz	QKIAWSKYHAPBSN-VPWBDBDCSA-N	3	0	306.410	-1.225	20	0		DAADRP
[NH3+]C1([C@@H]2CN(C(=O)[C@@H]3NC(=O)CC34C[NH2+]C4)C[C@H]2CF)CC1	ZINC001158567173	779778134	/nfs/dbraw/zinc/77/81/34/779778134.db2.gz	FMYJDCLSODJQEX-FOGDFJRCSA-N	2	0	310.373	-1.000	20	0		DAADRP
O=C(N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3)[C@@]12C[NH2+]C[C@H]1CCN2	ZINC001158535564	779778197	/nfs/dbraw/zinc/77/81/97/779778197.db2.gz	XNBICDIOIYTWIS-GLKFPVFTSA-N	2	0	306.410	-1.083	20	0		DAADRP
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)CNCC[NH3+])CC2	ZINC001158890550	779781513	/nfs/dbraw/zinc/78/15/13/779781513.db2.gz	HDSAWIMSCPMEQQ-UHFFFAOYSA-N	2	0	311.430	-1.262	20	0		DAADRP
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1C[NH2+]CCN1)CC2	ZINC001158890145	779782052	/nfs/dbraw/zinc/78/20/52/779782052.db2.gz	AOSXSRBTXIFENA-ZDUSSCGKSA-N	2	0	323.441	-1.249	20	0		DAADRP
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)C[C@@H](O)C[NH3+])CC2	ZINC001158890698	779782197	/nfs/dbraw/zinc/78/21/97/779782197.db2.gz	KNCDAQWDWVNBCR-GFCCVEGCSA-N	2	0	312.414	-1.101	20	0		DAADRP
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)CC2	ZINC001158890740	779782219	/nfs/dbraw/zinc/78/22/19/779782219.db2.gz	LRQGIIFMXPJGAJ-STQMWFEESA-N	2	0	323.441	-1.264	20	0		DAADRP
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)C[C@H](O)C[NH3+])CC2	ZINC001158890699	779782327	/nfs/dbraw/zinc/78/23/27/779782327.db2.gz	KNCDAQWDWVNBCR-LBPRGKRZSA-N	2	0	312.414	-1.101	20	0		DAADRP
C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H]2C[NH2+]C[C@H]2O)C1	ZINC001159132565	779787703	/nfs/dbraw/zinc/78/77/03/779787703.db2.gz	ARZGFNNWFTVGNQ-RWMBFGLXSA-N	2	0	307.398	-1.017	20	0		DAADRP
[NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1	ZINC001159267381	779789902	/nfs/dbraw/zinc/78/99/02/779789902.db2.gz	KWRGJLSMDXOSQK-XQQFMLRXSA-N	2	0	320.397	-1.041	20	0		DAADRP
[NH3+]CCC[NH2+]CC(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1	ZINC001159271562	779792001	/nfs/dbraw/zinc/79/20/01/779792001.db2.gz	DZWGFGWJXFYDKQ-OLZOCXBDSA-N	2	0	320.397	-1.169	20	0		DAADRP
CS(=O)(=O)N1C[C@H]2CCCN(C(=O)C[NH2+]CCC[NH3+])[C@H]2C1	ZINC001159998852	779798561	/nfs/dbraw/zinc/79/85/61/779798561.db2.gz	MULWLRQJRQXUBL-NEPJUHHUSA-N	2	0	318.443	-1.193	20	0		DAADRP
CC(=O)NCc1nnc2n1CCN(C(=O)C[NH2+]CCC[NH3+])C2	ZINC001159930739	779799178	/nfs/dbraw/zinc/79/91/78/779799178.db2.gz	WPRPQLYZUOZFHI-UHFFFAOYSA-N	2	0	309.374	-1.805	20	0		DAADRP
CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CCC[NH3+]	ZINC001160439245	779806822	/nfs/dbraw/zinc/80/68/22/779806822.db2.gz	ITMQBZXSGXTEOH-VHSXEESVSA-N	2	0	300.359	-1.667	20	0		DAADRP
CS(=O)(=O)N1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1	ZINC001160432004	779806936	/nfs/dbraw/zinc/80/69/36/779806936.db2.gz	KMYWVQJAPVSOSP-JTQLQIEISA-N	2	0	302.400	-2.101	20	0		DAADRP
CS(=O)(=O)N1CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1	ZINC001160432280	779806952	/nfs/dbraw/zinc/80/69/52/779806952.db2.gz	SMIVCOUYSVTLGF-NSHDSACASA-N	2	0	304.416	-1.583	20	0		DAADRP
CS(=O)(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1	ZINC001160432320	779807076	/nfs/dbraw/zinc/80/70/76/779807076.db2.gz	SUNWBYSYVSLDTN-DGCLKSJQSA-N	2	0	316.427	-1.711	20	0		DAADRP
C[NH2+]CC1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC1	ZINC001160459608	779807725	/nfs/dbraw/zinc/80/77/25/779807725.db2.gz	NTGQPSXLSQHJBQ-ONGXEEELSA-N	2	0	313.402	-1.848	20	0		DAADRP
COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H]([NH3+])CCC[NH3+]	ZINC001160494280	779809193	/nfs/dbraw/zinc/80/91/93/779809193.db2.gz	RZXBEILJWNJPNU-WEDXCCLWSA-N	2	0	319.383	-1.331	20	0		DAADRP
[NH3+]C1CCN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)CC1	ZINC001160505182	779809706	/nfs/dbraw/zinc/80/97/06/779809706.db2.gz	SJAJQMDFIFOGST-LLVKDONJSA-N	2	0	305.386	-1.126	20	0		DAADRP
CCOC(=O)[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCO1	ZINC001160596248	779812276	/nfs/dbraw/zinc/81/22/76/779812276.db2.gz	DWLYMIGJURIARX-LALPHHSUSA-N	2	0	311.382	-1.024	20	0		DAADRP
CN1CCN(C2CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2)CC1=O	ZINC001160636240	779814176	/nfs/dbraw/zinc/81/41/76/779814176.db2.gz	PEUDQTNZNLSUAP-NSHDSACASA-N	2	0	315.443	-2.010	20	0		DAADRP
C[N@@H+]1C[C@@H](C(=O)N2CCO[C@@H](C[NH3+])C2)OC2(CC[NH2+]CC2)C1	ZINC001160643944	779814483	/nfs/dbraw/zinc/81/44/83/779814483.db2.gz	QPSHBJLNJAYGLO-STQMWFEESA-N	3	0	312.414	-1.375	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@@H]([NH3+])[C@H](O)C1)C(N)=O	ZINC001160654733	779814595	/nfs/dbraw/zinc/81/45/95/779814595.db2.gz	AULBWXFIEIDXTQ-SGIHWFKDSA-N	2	0	315.374	-2.996	20	0		DAADRP
[NH3+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)C[C@H]1O	ZINC001160652397	779814847	/nfs/dbraw/zinc/81/48/47/779814847.db2.gz	DAXKFOXCIXRDLT-OPRDCNLKSA-N	2	0	303.384	-2.316	20	0		DAADRP
[NH3+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)C[C@H]1O	ZINC001160652969	779815644	/nfs/dbraw/zinc/81/56/44/779815644.db2.gz	SIXOGFIAKFUWCI-MROQNXINSA-N	2	0	310.398	-1.350	20	0		DAADRP
O=C(N1CCN2C(=O)COC[C@@H]2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001160790392	779817732	/nfs/dbraw/zinc/81/77/32/779817732.db2.gz	OLJAUYTYDKWKDR-TYNCELHUSA-N	2	0	308.382	-1.745	20	0		DAADRP
CCOC(=O)[C@]12CN(C(=O)CNC(=O)C[NH3+])C[C@H]1C[NH2+]CC2	ZINC001160805890	779819372	/nfs/dbraw/zinc/81/93/72/779819372.db2.gz	GUPDIYVRIHVNLF-QMTHXVAHSA-N	2	0	312.370	-1.938	20	0		DAADRP
CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[NH2+]CCN3)C[C@H]1C[NH2+]CC2	ZINC001160811973	779820144	/nfs/dbraw/zinc/82/01/44/779820144.db2.gz	BYLMXWZDCRKBHU-TYNCELHUSA-N	2	0	310.398	-1.451	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]([NH3+])[C@@H](C)O)C[C@H]1C2	ZINC001160792056	779820270	/nfs/dbraw/zinc/82/02/70/779820270.db2.gz	MXTWQQFOEKXYRP-QEBKJYJCSA-N	2	0	311.382	-1.448	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H](C[NH3+])OC)C[C@H]1C2	ZINC001160793807	779820323	/nfs/dbraw/zinc/82/03/23/779820323.db2.gz	HYFDVZIGPRYSTA-TVEHIPJCSA-N	2	0	311.382	-1.183	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@H]1C2	ZINC001160792062	779820403	/nfs/dbraw/zinc/82/04/03/779820403.db2.gz	NGWWLNGDTFNHAH-OWTPDKHXSA-N	2	0	323.393	-1.434	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[NH2+]C[C@@H]3O)C[C@H]1C2	ZINC001160795727	779820422	/nfs/dbraw/zinc/82/04/22/779820422.db2.gz	YOOCSWPORNYNBB-RQXQIDNZSA-N	2	0	323.393	-1.576	20	0		DAADRP
COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CCN1C	ZINC001160871271	779821160	/nfs/dbraw/zinc/82/11/60/779821160.db2.gz	TYAOYWCVPYHIQH-UWVGGRQHSA-N	2	0	304.416	-1.679	20	0		DAADRP
C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001160838799	779821822	/nfs/dbraw/zinc/82/18/22/779821822.db2.gz	MAFWNCOXUHGIQO-KBPBESRZSA-N	3	0	313.446	-1.474	20	0		DAADRP
[NH3+]CC(=O)N1CCC[C@H]1C(=O)N(c1ncccn1)C1C[NH2+]C1	ZINC001160916113	779822627	/nfs/dbraw/zinc/82/26/27/779822627.db2.gz	VAZFPHAGUMVZHZ-NSHDSACASA-N	2	0	304.354	-1.269	20	0		DAADRP
NC(=O)NCCC[C@@H]([NH3+])C(=O)N(c1ncccn1)C1C[NH2+]C1	ZINC001160916458	779822778	/nfs/dbraw/zinc/82/27/78/779822778.db2.gz	YUCRJHCNNDNVDO-SNVBAGLBSA-N	2	0	307.358	-1.443	20	0		DAADRP
[NH3+]CCOCCOCC(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1	ZINC001160999331	779823426	/nfs/dbraw/zinc/82/34/26/779823426.db2.gz	BHVZRMKCVKWPKE-GFCCVEGCSA-N	2	0	301.387	-1.306	20	0		DAADRP
NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1	ZINC001160999600	779824272	/nfs/dbraw/zinc/82/42/72/779824272.db2.gz	IDRCAXDAOGCSOE-GHMZBOCLSA-N	2	0	313.402	-1.522	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1	ZINC001161006861	779824289	/nfs/dbraw/zinc/82/42/89/779824289.db2.gz	GFSXQJGSQOVAGV-RYUDHWBXSA-N	2	0	310.398	-1.430	20	0		DAADRP
CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@H]1CCCC[C@H]1[NH3+]	ZINC001161064841	779824436	/nfs/dbraw/zinc/82/44/36/779824436.db2.gz	SZYQSHVQATXCHM-MNOVXSKESA-N	2	0	306.432	-1.065	20	0		DAADRP
CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1	ZINC001161006907	779824740	/nfs/dbraw/zinc/82/47/40/779824740.db2.gz	GXYCKOVEEOCKGL-JHJVBQTASA-N	2	0	311.382	-1.147	20	0		DAADRP
CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C1(C)CC[NH2+]CC1	ZINC001161073542	779825456	/nfs/dbraw/zinc/82/54/56/779825456.db2.gz	PIABTKLVATXEGX-UHFFFAOYSA-N	2	0	306.432	-1.193	20	0		DAADRP
O=C(N1CCC2(CNC(=O)N2)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001161083959	779826496	/nfs/dbraw/zinc/82/64/96/779826496.db2.gz	VPBLGXVYODEXKW-IAQYHMDHSA-N	2	0	307.398	-1.141	20	0		DAADRP
COC(=O)[C@@]1(N)CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1	ZINC001161139639	779827869	/nfs/dbraw/zinc/82/78/69/779827869.db2.gz	ZMDRLYSLVHATHE-BXUZGUMPSA-N	2	0	313.402	-2.160	20	0		DAADRP
CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]([NH3+])CCCNC(N)=O	ZINC001161153312	779829083	/nfs/dbraw/zinc/82/90/83/779829083.db2.gz	HDSHYROJQOVUBZ-JTQLQIEISA-N	2	0	317.390	-1.497	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@](F)(C[NH3+])C1	ZINC001161247085	779830734	/nfs/dbraw/zinc/83/07/34/779830734.db2.gz	WFSCBMBKJQDAAC-YVZVNANGSA-N	2	0	303.338	-2.407	20	0		DAADRP
CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[C@@H]1[C@H]2C[NH2+]C[C@H]21	ZINC001161222184	779831095	/nfs/dbraw/zinc/83/10/95/779831095.db2.gz	WSSJVWFFBHIMDH-SRRSOLGSSA-N	2	0	312.414	-1.079	20	0		DAADRP
CC(=O)N[C@@H]1CCCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1	ZINC001161270730	779831984	/nfs/dbraw/zinc/83/19/84/779831984.db2.gz	QYFXJSIOVHSJBD-ZIAGYGMSSA-N	2	0	311.430	-1.136	20	0		DAADRP
CCS(=O)(=O)NC1CCN(C(=O)C[NH2+]CCC[NH3+])CC1	ZINC001161264599	779832312	/nfs/dbraw/zinc/83/23/12/779832312.db2.gz	PNPWTQSZCKUOFU-UHFFFAOYSA-N	2	0	306.432	-1.145	20	0		DAADRP
COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CCN1C(C)=O	ZINC001161295310	779833439	/nfs/dbraw/zinc/83/34/39/779833439.db2.gz	IORCOZGBROKKKB-NWDGAFQWSA-N	2	0	314.386	-1.325	20	0		DAADRP
COC(=O)[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCN1C(C)=O	ZINC001161297217	779833888	/nfs/dbraw/zinc/83/38/88/779833888.db2.gz	WAZUJUVHPFJRPS-NWDGAFQWSA-N	2	0	324.381	-1.972	20	0		DAADRP
[NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@]34C[NH2+]C[C@@H]3CCN4)C2)CC1	ZINC001161377239	779834470	/nfs/dbraw/zinc/83/44/70/779834470.db2.gz	GGQQCAWEKDBMAB-JGGQBBKZSA-N	2	0	307.442	-1.038	20	0		DAADRP
[NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)C2)CC1	ZINC001161380875	779835280	/nfs/dbraw/zinc/83/52/80/779835280.db2.gz	WJBFFOSXUOLIMR-KGLIPLIRSA-N	2	0	323.441	-1.659	20	0		DAADRP
[NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1	ZINC001161377523	779835616	/nfs/dbraw/zinc/83/56/16/779835616.db2.gz	GUAKPFZZUSYLRP-KBPBESRZSA-N	2	0	323.441	-1.040	20	0		DAADRP
[NH3+]C1CCN([C@@H]2CCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C2)CC1	ZINC001161379973	779835917	/nfs/dbraw/zinc/83/59/17/779835917.db2.gz	SKAFVKCWYUAKHH-ZIAGYGMSSA-N	3	0	307.442	-1.181	20	0		DAADRP
[NH3+]CCNC(=O)/C=C/C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1	ZINC001161378906	779836190	/nfs/dbraw/zinc/83/61/90/779836190.db2.gz	NXZBSTCEINAXSB-AORQRIRUSA-N	2	0	309.414	-1.359	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1	ZINC001161380343	779836269	/nfs/dbraw/zinc/83/62/69/779836269.db2.gz	USZAWJAWAZWUMS-GVXVVHGQSA-N	2	0	311.430	-1.138	20	0		DAADRP
COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)CN1CC[NH2+]CC1)CC2	ZINC001161477019	779838322	/nfs/dbraw/zinc/83/83/22/779838322.db2.gz	GLFGGXISKBDNRJ-IUODEOHRSA-N	2	0	310.398	-1.355	20	0		DAADRP
COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1CO[C@@H]3C[NH2+]C[C@H]13)CC2	ZINC001161476990	779838419	/nfs/dbraw/zinc/83/84/19/779838419.db2.gz	FZKOMZVPIADMSN-QCPCCJPKSA-N	2	0	323.393	-1.026	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1CO[C@@H]3C[NH2+]C[C@H]13)CC2	ZINC001161476989	779838525	/nfs/dbraw/zinc/83/85/25/779838525.db2.gz	FZKOMZVPIADMSN-FSPSUXSGSA-N	2	0	323.393	-1.026	20	0		DAADRP
CO[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccc(C(N)=O)cc2)C[C@@H]1[NH3+]	ZINC001161493176	779839635	/nfs/dbraw/zinc/83/96/35/779839635.db2.gz	FMXCNRBYCKYVSD-RWMBFGLXSA-N	2	0	306.366	-1.160	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@](C)(C[NH3+])C1	ZINC001161489498	779840018	/nfs/dbraw/zinc/84/00/18/779840018.db2.gz	UCDXMUUVNDPDJV-BHDSKKPTSA-N	2	0	313.402	-1.719	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C1(O)CC[NH2+]CC1)CC2	ZINC001161481804	779840213	/nfs/dbraw/zinc/84/02/13/779840213.db2.gz	YXINZOAHKHHVDQ-RISCZKNCSA-N	2	0	311.382	-1.146	20	0		DAADRP
[NH3+][C@@H]1CN(C(=O)c2cnc(N3CC[NH2+]CC3)cn2)CC12COC2	ZINC001161511181	779842171	/nfs/dbraw/zinc/84/21/71/779842171.db2.gz	YCCAIXFPLSGUNT-GFCCVEGCSA-N	2	0	318.381	-1.314	20	0		DAADRP
O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2nccnc2N2CC[NH2+]CC2)N1	ZINC001163240999	779865257	/nfs/dbraw/zinc/86/52/57/779865257.db2.gz	XRUWAQFLUNDSTB-YGRLFVJLSA-N	2	0	303.370	-1.124	20	0		DAADRP
O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccnc(N3CC[NH2+]CC3)n2)N1	ZINC001163237975	779865592	/nfs/dbraw/zinc/86/55/92/779865592.db2.gz	KKSOFPCTOUGODD-QMTHXVAHSA-N	2	0	303.370	-1.124	20	0		DAADRP
O=C1C[C@H]2[NH2+]CC[C@]2(Nc2nccnc2N2CC[NH2+]CC2)N1	ZINC001163240998	779865673	/nfs/dbraw/zinc/86/56/73/779865673.db2.gz	XRUWAQFLUNDSTB-QMTHXVAHSA-N	2	0	303.370	-1.124	20	0		DAADRP
O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2nccc(N3CC[NH2+]CC3)n2)N1	ZINC001163241062	779865916	/nfs/dbraw/zinc/86/59/16/779865916.db2.gz	YRMYBIMKLABPJU-HZMBPMFUSA-N	2	0	303.370	-1.124	20	0		DAADRP
COC(=O)[C@@H]1C[NH2+]CCN1c1ccc(N2CC[NH2+]CC2)nn1	ZINC001165437446	779883912	/nfs/dbraw/zinc/88/39/12/779883912.db2.gz	SAAOPIGJSHDZLW-NSHDSACASA-N	2	0	306.370	-1.163	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1	ZINC001165772025	779887184	/nfs/dbraw/zinc/88/71/84/779887184.db2.gz	GTXIVUBWPIBEQK-UHFFFAOYSA-N	2	0	313.402	-1.120	20	0		DAADRP
CN(CC[NH2+]CCCNC(=O)CC[NH+](C)C)S(C)(=O)=O	ZINC001165794187	779887806	/nfs/dbraw/zinc/88/78/06/779887806.db2.gz	LTRZHKOGPNFPLC-UHFFFAOYSA-N	2	0	308.448	-1.075	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1	ZINC001166677197	779891375	/nfs/dbraw/zinc/89/13/75/779891375.db2.gz	GQADACGOKARAOL-GFCCVEGCSA-N	2	0	320.459	-1.027	20	0		DAADRP
C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001166707249	779891634	/nfs/dbraw/zinc/89/16/34/779891634.db2.gz	FBBVFOXUUCGTHM-MNOVXSKESA-N	2	0	310.402	-1.098	20	0		DAADRP
CC[C@@H](C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C	ZINC001166852251	779894493	/nfs/dbraw/zinc/89/44/93/779894493.db2.gz	NPOHUFQRWSJWRQ-NSHDSACASA-N	2	0	313.402	-1.026	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC001203704808	779897548	/nfs/dbraw/zinc/89/75/48/779897548.db2.gz	DMOKOFDHNLQMAG-UHFFFAOYSA-N	2	0	311.386	-1.142	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1	ZINC001211081556	779968221	/nfs/dbraw/zinc/96/82/21/779968221.db2.gz	LTIVDUIUGUFAJT-NSHDSACASA-N	2	0	311.386	-1.142	20	0		DAADRP
CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)COCC[NH+](C)C	ZINC001213719220	779982877	/nfs/dbraw/zinc/98/28/77/779982877.db2.gz	SEVAYFIGQZGXRS-CHWSQXEVSA-N	2	0	303.403	-1.238	20	0		DAADRP
CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)COCC[NH+](C)C	ZINC001213730852	779983279	/nfs/dbraw/zinc/98/32/79/779983279.db2.gz	ZMOOZPWIJYDBSZ-JHJVBQTASA-N	2	0	303.403	-1.239	20	0		DAADRP
C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+][C@H]1CCNC1=O	ZINC001216401576	780011858	/nfs/dbraw/zinc/01/18/58/780011858.db2.gz	NBSWLUBBWCBWGS-FRRDWIJNSA-N	2	0	312.414	-1.110	20	0		DAADRP
C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O	ZINC001216750451	780015270	/nfs/dbraw/zinc/01/52/70/780015270.db2.gz	ZRFPFNXHIUWBTE-GMTAPVOTSA-N	2	0	311.386	-1.431	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ncnc2n[nH]nc21	ZINC001218515978	780031728	/nfs/dbraw/zinc/03/17/28/780031728.db2.gz	PNNWUUXGBSTPTI-QMMMGPOBSA-N	2	0	305.346	-1.563	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ncnn2cccc12	ZINC001218563859	780032547	/nfs/dbraw/zinc/03/25/47/780032547.db2.gz	DYGDGNTXHVXCPZ-LLVKDONJSA-N	2	0	303.370	-1.160	20	0		DAADRP
COC(=O)Cn1cc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cn1	ZINC001218612355	780037117	/nfs/dbraw/zinc/03/71/17/780037117.db2.gz	SKRNICGOPCVGLG-GFCCVEGCSA-N	2	0	324.385	-1.255	20	0		DAADRP
CSc1[nH]nc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1C(N)=O	ZINC001218639225	780037616	/nfs/dbraw/zinc/03/76/16/780037616.db2.gz	ZUHIWYOFVZQPBX-LURJTMIESA-N	2	0	310.383	-1.022	20	0		DAADRP
CCOc1cc(N)n(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c(=N)n1	ZINC001218680651	780039148	/nfs/dbraw/zinc/03/91/48/780039148.db2.gz	FDTCQKZGQZGMCP-JTQLQIEISA-N	2	0	323.401	-1.266	20	0		DAADRP
Nc1cccnc1N(C(=O)CNC(=O)C[NH3+])C1CC[NH2+]CC1	ZINC001218694946	780039514	/nfs/dbraw/zinc/03/95/14/780039514.db2.gz	GTZYJXSSKIDPMK-UHFFFAOYSA-N	2	0	306.370	-1.176	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cc([C@H]2CCC[NH2+]2)no1	ZINC001218712866	780039967	/nfs/dbraw/zinc/03/99/67/780039967.db2.gz	KJCIZDDTPADLFO-XHNCKOQMSA-N	2	0	311.342	-1.138	20	0		DAADRP
NS(=O)(=O)c1cncc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c1	ZINC001218751093	780041707	/nfs/dbraw/zinc/04/17/07/780041707.db2.gz	QIKMSFAHQXEUQX-LLVKDONJSA-N	2	0	313.383	-1.006	20	0		DAADRP
NS(=O)(=O)c1cncc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1	ZINC001218750780	780041848	/nfs/dbraw/zinc/04/18/48/780041848.db2.gz	LLBGWADLBPBQEU-SNVBAGLBSA-N	2	0	311.367	-1.524	20	0		DAADRP
O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1COC2(C[NH2+]C2)CN1	ZINC001219611136	780123042	/nfs/dbraw/zinc/12/30/42/780123042.db2.gz	WHNOXDZWOSSQPA-LDYMZIIASA-N	2	0	308.304	-1.273	20	0		DAADRP
CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F	ZINC001219621568	780126419	/nfs/dbraw/zinc/12/64/19/780126419.db2.gz	CTFAEMRXSMCNHX-SRRSOLGSSA-N	2	0	303.334	-1.684	20	0		DAADRP
CCOC(=O)C1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C[NH2+]C1	ZINC001219620168	780126841	/nfs/dbraw/zinc/12/68/41/780126841.db2.gz	XKUHYJSCTLJLNC-TVQRCGJNSA-N	2	0	303.334	-1.682	20	0		DAADRP
C[C@@H]1C[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)C[NH2+]1	ZINC001219684357	780133815	/nfs/dbraw/zinc/13/38/15/780133815.db2.gz	MXOAYNHZWCHZMX-MXWKQRLJSA-N	2	0	301.412	-1.123	20	0		DAADRP
O=C(NCCC1(O)C[NH2+]C1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2	ZINC001219694989	780136584	/nfs/dbraw/zinc/13/65/84/780136584.db2.gz	OZUXCYJUVHDLDK-NSHDSACASA-N	2	0	320.397	-1.630	20	0		DAADRP
O=C(NCCC1(O)C[NH2+]C1)c1cccnc1N1CC[NH2+]CC1	ZINC001219696328	780136627	/nfs/dbraw/zinc/13/66/27/780136627.db2.gz	ICEQLOPXZVFABH-UHFFFAOYSA-N	2	0	305.382	-1.055	20	0		DAADRP
O=C(N[C@@H]1C[NH2+]C[C@H]1O)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O	ZINC001219713972	780137339	/nfs/dbraw/zinc/13/73/39/780137339.db2.gz	BQBBHRDAFOYXTM-XJFOESAGSA-N	2	0	316.361	-1.452	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@@H]1COC[C@@H]1[NH3+])C(N)=O	ZINC001219720339	780137894	/nfs/dbraw/zinc/13/78/94/780137894.db2.gz	IXFFRXXBKXNSLE-RBXMUDONSA-N	2	0	301.347	-3.074	20	0		DAADRP
[NH3+][C@H]1COC[C@H]1NC(=O)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O	ZINC001219719922	780138388	/nfs/dbraw/zinc/13/83/88/780138388.db2.gz	AJVKIWZBKOYVDI-ZOBORPQBSA-N	2	0	316.361	-1.059	20	0		DAADRP
[NH3+][C@H]1COC[C@H]1NC(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2	ZINC001219719947	780138403	/nfs/dbraw/zinc/13/84/03/780138403.db2.gz	AXSHBZSYYOEMKX-KXUCPTDWSA-N	2	0	307.358	-2.234	20	0		DAADRP
CC(=O)NCSC[C@H]([NH3+])C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1	ZINC001219736693	780140067	/nfs/dbraw/zinc/14/00/67/780140067.db2.gz	FMWSRHDONKWYRP-MNOVXSKESA-N	2	0	316.427	-1.365	20	0		DAADRP
[NH3+][C@H](Cc1cnc[nH]1)C(=O)NCc1nnc2n1CCC[NH2+]C2	ZINC001219746933	780141252	/nfs/dbraw/zinc/14/12/52/780141252.db2.gz	ORVCYRUCIPQOQT-SNVBAGLBSA-N	2	0	304.358	-1.319	20	0		DAADRP
O=C(NCc1nnc2n1CCC[NH2+]C2)C1=NO[C@]2(CC[NH2+]C2)C1	ZINC001219748780	780141285	/nfs/dbraw/zinc/14/12/85/780141285.db2.gz	BRNFHTGWCVLWEC-CQSZACIVSA-N	2	0	319.369	-1.104	20	0		DAADRP
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1	ZINC001219739884	780141798	/nfs/dbraw/zinc/14/17/98/780141798.db2.gz	XLPZCFVRCVSXAV-IJLUTSLNSA-N	2	0	311.382	-1.120	20	0		DAADRP
O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1NC(=O)CC12C[NH2+]C2	ZINC001219741360	780141838	/nfs/dbraw/zinc/14/18/38/780141838.db2.gz	HYVRUPOWQQOISB-WCQYABFASA-N	2	0	322.409	-1.118	20	0		DAADRP
O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1COC2(C[NH2+]C2)CN1	ZINC001219741800	780141861	/nfs/dbraw/zinc/14/18/61/780141861.db2.gz	UTPWIOZYKPIXSN-STQMWFEESA-N	2	0	324.425	-1.266	20	0		DAADRP
O=C(NCc1nnc2n1CCC[NH2+]C2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001219748811	780142442	/nfs/dbraw/zinc/14/24/42/780142442.db2.gz	CVRHLXUPTNVHKA-IAQYHMDHSA-N	3	0	319.413	-1.413	20	0		DAADRP
C[S@](=O)CC[C@H]([NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2	ZINC001219750223	780142541	/nfs/dbraw/zinc/14/25/41/780142541.db2.gz	XZVSPVIOXGILBZ-FPVGNUTFSA-N	2	0	314.415	-1.517	20	0		DAADRP
O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1NC(=O)CC12C[NH2+]C2	ZINC001219750022	780143124	/nfs/dbraw/zinc/14/31/24/780143124.db2.gz	URKXUTWEZQIDKR-GFCCVEGCSA-N	2	0	319.369	-2.134	20	0		DAADRP
[NH3+][C@H](C(=O)NCc1nnc2n1CCC[NH2+]C2)C1CC[NH2+]CC1	ZINC001219748834	780143279	/nfs/dbraw/zinc/14/32/79/780143279.db2.gz	DRFVZVPLGAIFGN-ZDUSSCGKSA-N	3	0	307.402	-1.286	20	0		DAADRP
O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1NC(=O)CC12C[NH2+]C2	ZINC001219764963	780144373	/nfs/dbraw/zinc/14/43/73/780144373.db2.gz	QPTDEQANKXUSNI-MDZLAQPJSA-N	2	0	307.398	-2.126	20	0		DAADRP
[NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1	ZINC001219765811	780145258	/nfs/dbraw/zinc/14/52/58/780145258.db2.gz	CVKNFVGNXASKDI-AGIUHOORSA-N	2	0	309.414	-1.654	20	0		DAADRP
O=C(CN1CCNCC1=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1	ZINC001219793138	780148072	/nfs/dbraw/zinc/14/80/72/780148072.db2.gz	AEYHPYFBTJLNSK-UHFFFAOYSA-N	2	0	323.441	-1.249	20	0		DAADRP
[NH3+]CC(=O)N1CCC[C@H]1C(=O)NCC[C@@H]1CCOC12C[NH2+]C2	ZINC001219800779	780148931	/nfs/dbraw/zinc/14/89/31/780148931.db2.gz	MZCTXCUINNBGIA-NEPJUHHUSA-N	2	0	310.398	-1.179	20	0		DAADRP
O=C(NCc1noc2c1C[NH2+]CC2)[C@H]1COC2(C[NH2+]C2)CN1	ZINC001219809948	780149470	/nfs/dbraw/zinc/14/94/70/780149470.db2.gz	XGOFSOLDKQTOBC-LLVKDONJSA-N	2	0	307.354	-1.733	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2	ZINC001219814380	780151747	/nfs/dbraw/zinc/15/17/47/780151747.db2.gz	BNEUUYIUGSKBAW-WHOFXGATSA-N	3	0	311.430	-1.911	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1noc2c1C[NH2+]CC2	ZINC001219811636	780152056	/nfs/dbraw/zinc/15/20/56/780152056.db2.gz	XOELHLUGUWFBNE-GFCCVEGCSA-N	3	0	322.413	-1.313	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1noc2c1C[NH2+]CC2	ZINC001219810868	780152113	/nfs/dbraw/zinc/15/21/13/780152113.db2.gz	FDXYKEOOGGFHOJ-JTQLQIEISA-N	2	0	307.354	-1.195	20	0		DAADRP
O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001219831190	780153442	/nfs/dbraw/zinc/15/34/42/780153442.db2.gz	ASRXEQVTWUWKFI-NDBYEHHHSA-N	2	0	322.409	-1.405	20	0		DAADRP
[NH3+][C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219833345	780153450	/nfs/dbraw/zinc/15/34/50/780153450.db2.gz	CCQDRARTRBEHJU-NJZAAPMLSA-N	2	0	323.397	-1.209	20	0		DAADRP
[NH3+][C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219833343	780153455	/nfs/dbraw/zinc/15/34/55/780153455.db2.gz	CCQDRARTRBEHJU-KYOSRNDESA-N	2	0	323.397	-1.209	20	0		DAADRP
O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]C[C@H](O)C1	ZINC001219834709	780153460	/nfs/dbraw/zinc/15/34/60/780153460.db2.gz	SKAXQTVDMNBOHN-COMQUAJESA-N	2	0	313.398	-1.532	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1	ZINC001219831332	780153477	/nfs/dbraw/zinc/15/34/77/780153477.db2.gz	GXSZPBMYLXIWRL-ZRJCITRHSA-N	3	0	311.430	-1.770	20	0		DAADRP
[NH3+][C@@H](Cn1cccn1)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219834874	780153512	/nfs/dbraw/zinc/15/35/12/780153512.db2.gz	TWASEUZVEXISIN-IPYPFGDCSA-N	2	0	323.397	-1.278	20	0		DAADRP
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1	ZINC001219831755	780153542	/nfs/dbraw/zinc/15/35/42/780153542.db2.gz	XDTKYZSKBPMUOE-VEGXAWMVSA-N	2	0	311.382	-1.122	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1	ZINC001219831584	780153603	/nfs/dbraw/zinc/15/36/03/780153603.db2.gz	PTLOKQBTLSGWDH-MXWKQRLJSA-N	2	0	320.415	-2.300	20	0		DAADRP
[NH3+][C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219833350	780153980	/nfs/dbraw/zinc/15/39/80/780153980.db2.gz	CCQDRARTRBEHJU-ZLDLUXBVSA-N	2	0	323.397	-1.209	20	0		DAADRP
CN1CC[NH2+]C[C@@H]1C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219837659	780154592	/nfs/dbraw/zinc/15/45/92/780154592.db2.gz	KORGYRHJIVYIIU-UMVBOHGHSA-N	2	0	312.414	-1.599	20	0		DAADRP
O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219838347	780154595	/nfs/dbraw/zinc/15/45/95/780154595.db2.gz	PHHKSQSZBGWZGV-UMVBOHGHSA-N	2	0	313.398	-1.124	20	0		DAADRP
[NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219836781	780154745	/nfs/dbraw/zinc/15/47/45/780154745.db2.gz	FBFNYRRANNJEAT-KCQAQPDRSA-N	3	0	314.430	-1.046	20	0		DAADRP
O=C(CN1CC[NH2+]CC1)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219838211	780154805	/nfs/dbraw/zinc/15/48/05/780154805.db2.gz	OTEJVJNOTVHAKZ-HIFRSBDPSA-N	2	0	312.414	-1.597	20	0		DAADRP
O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]CCC1=O	ZINC001219839441	780155075	/nfs/dbraw/zinc/15/50/75/780155075.db2.gz	ZVFAZPINFMNYDD-SLEUVZQESA-N	2	0	311.382	-1.324	20	0		DAADRP
C[NH2+][C@H](C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H](C)O	ZINC001219837485	780155219	/nfs/dbraw/zinc/15/52/19/780155219.db2.gz	JXGNGQUKYIBDCJ-NRWUCQMLSA-N	2	0	301.387	-1.534	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12	ZINC001219850265	780156218	/nfs/dbraw/zinc/15/62/18/780156218.db2.gz	PSAMTZMNIFHTJD-XDQVBPFNSA-N	3	0	311.430	-1.628	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12	ZINC001219850266	780156616	/nfs/dbraw/zinc/15/66/16/780156616.db2.gz	PSAMTZMNIFHTJD-ZOBORPQBSA-N	3	0	311.430	-1.628	20	0		DAADRP
C[N@@H+]1C[C@@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)OC2(CC[NH2+]CC2)C1	ZINC001219854656	780157771	/nfs/dbraw/zinc/15/77/71/780157771.db2.gz	OUGDKIDXEPFNGP-RQJABVFESA-N	3	0	324.425	-1.458	20	0		DAADRP
O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001219854010	780157796	/nfs/dbraw/zinc/15/77/96/780157796.db2.gz	AYVISFATIYKAJC-NOOOWODRSA-N	2	0	308.382	-1.795	20	0		DAADRP
CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NCC[NH2+]CCO	ZINC001219919206	780162212	/nfs/dbraw/zinc/16/22/12/780162212.db2.gz	ZKXPXJSOZHULEW-JTQLQIEISA-N	2	0	304.391	-2.057	20	0		DAADRP
O=C(NCCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ccncc1	ZINC001219936393	780164366	/nfs/dbraw/zinc/16/43/66/780164366.db2.gz	CLMSMMHJUBLFDO-GFCCVEGCSA-N	2	0	303.366	-1.263	20	0		DAADRP
COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CN1	ZINC001219965566	780168023	/nfs/dbraw/zinc/16/80/23/780168023.db2.gz	RUKZBNMXOURSFZ-WOPDTQHZSA-N	2	0	310.398	-1.120	20	0		DAADRP
COC(=O)C1(NC(=O)[C@@H]([NH3+])CC[S@](C)=O)CC[NH2+]CC1	ZINC001220001274	780169026	/nfs/dbraw/zinc/16/90/26/780169026.db2.gz	OJDOEPFVZJZRQJ-LXGOIASLSA-N	2	0	305.400	-1.506	20	0		DAADRP
COC(=O)C1(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC[NH2+]CC1	ZINC001219999553	780169275	/nfs/dbraw/zinc/16/92/75/780169275.db2.gz	XDOMMJSYKXNXCG-SNVBAGLBSA-N	2	0	312.370	-2.272	20	0		DAADRP
Cn1c(=O)[nH]c(=O)c(N=O)c1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2	ZINC001219984610	780169423	/nfs/dbraw/zinc/16/94/23/780169423.db2.gz	QMYDUPRPJRZNIT-LURJTMIESA-N	2	0	308.298	-1.369	20	0		DAADRP
C[C@H]([NH3+])C(=O)N1[C@H](C(=O)n2cnc(C[NH3+])cc2=N)COC1(C)C	ZINC001220020469	780171647	/nfs/dbraw/zinc/17/16/47/780171647.db2.gz	JXQVRWAHSRDWKR-WPRPVWTQSA-N	2	0	322.369	-1.228	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC1(CO)CCOCC1	ZINC001220018693	780171884	/nfs/dbraw/zinc/17/18/84/780171884.db2.gz	OGOYVQPKJCZIHG-GFCCVEGCSA-N	2	0	300.403	-1.606	20	0		DAADRP
Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+]	ZINC001220043379	780173210	/nfs/dbraw/zinc/17/32/10/780173210.db2.gz	PFJVMPCSDCXXPO-RCOVLWMOSA-N	2	0	323.357	-2.523	20	0		DAADRP
NC(=[NH2+])N(CCCC[NH3+])C(=O)Cn1cnc2c1nc(N)[nH]c2=O	ZINC001220103621	780178674	/nfs/dbraw/zinc/17/86/74/780178674.db2.gz	ZUQJTEYBVLLTBU-UHFFFAOYSA-N	2	0	321.345	-1.425	20	0		DAADRP
[NH3+]CC1(NC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)COC1	ZINC001220154552	780186277	/nfs/dbraw/zinc/18/62/77/780186277.db2.gz	USTULZSXCHHNIB-JTQLQIEISA-N	2	0	317.411	-1.755	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1	ZINC001220166500	780188342	/nfs/dbraw/zinc/18/83/42/780188342.db2.gz	COKPKWJMGZIQNR-JUFZMCDQSA-N	2	0	312.414	-1.151	20	0		DAADRP
Cn1ccc(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc1=O	ZINC001220179774	780190099	/nfs/dbraw/zinc/19/00/99/780190099.db2.gz	RNQOOSJSKLPWOP-ZDUSSCGKSA-N	2	0	307.398	-1.248	20	0		DAADRP
[NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1nc[nH]n1	ZINC001220249819	780195455	/nfs/dbraw/zinc/19/54/55/780195455.db2.gz	CIVGADVHCGQJOZ-QWRGUYRKSA-N	2	0	323.401	-1.132	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)N(CC[NH3+])c1cccnc1	ZINC001220263783	780197127	/nfs/dbraw/zinc/19/71/27/780197127.db2.gz	XOVJIWNSTZIHCS-UHFFFAOYSA-N	2	0	315.399	-1.406	20	0		DAADRP
C[NH+](C)CC(C)(C)CNC(=O)CN(CC[NH3+])S(C)(=O)=O	ZINC001220254429	780197450	/nfs/dbraw/zinc/19/74/50/780197450.db2.gz	PRBRZFJQLFNORJ-UHFFFAOYSA-N	2	0	308.448	-1.089	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O	ZINC001220276437	780198675	/nfs/dbraw/zinc/19/86/75/780198675.db2.gz	AHOUUBVLSBHIOF-XQQFMLRXSA-N	2	0	322.413	-1.122	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H](CO)Cc1c[nH]cn1	ZINC001220292063	780200478	/nfs/dbraw/zinc/20/04/78/780200478.db2.gz	ZMWSWWHUZAQGAW-CHWSQXEVSA-N	2	0	310.402	-1.820	20	0		DAADRP
C[N@@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])CC[S@](C)=O)CC1	ZINC001220306774	780201564	/nfs/dbraw/zinc/20/15/64/780201564.db2.gz	OOKKIZBUNKICPY-YUNKPMOVSA-N	2	0	304.460	-1.164	20	0		DAADRP
NC(=O)NCCC[C@H]([NH3+])C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2	ZINC001220315205	780201605	/nfs/dbraw/zinc/20/16/05/780201605.db2.gz	AOAUSPIQEVMWAR-SUNKGSAMSA-N	2	0	313.402	-1.211	20	0		DAADRP
C[N@@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])CSCC[NH3+])CC1	ZINC001220307111	780201619	/nfs/dbraw/zinc/20/16/19/780201619.db2.gz	RZJFOHUBPNISQZ-LBPRGKRZSA-N	3	0	303.476	-1.241	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2	ZINC001220320787	780202550	/nfs/dbraw/zinc/20/25/50/780202550.db2.gz	PIESAPGSKXLRRX-TYNCELHUSA-N	2	0	310.398	-1.118	20	0		DAADRP
Cc1cc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)n(N)c(=O)c1	ZINC001220323068	780202692	/nfs/dbraw/zinc/20/26/92/780202692.db2.gz	CBIVHODLOCHIGO-NSHDSACASA-N	2	0	308.386	-1.441	20	0		DAADRP
O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1NC(=O)CC12C[NH2+]C2	ZINC001220315975	780203486	/nfs/dbraw/zinc/20/34/86/780203486.db2.gz	KYXMTDVWOKETEK-WBIUFABUSA-N	2	0	308.382	-1.508	20	0		DAADRP
C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@H]2COCC[NH2+]2)COC1(C)C	ZINC001220432089	780213553	/nfs/dbraw/zinc/21/35/53/780213553.db2.gz	XRWUTIHNOOSYME-DCAQKATOSA-N	2	0	314.386	-1.598	20	0		DAADRP
C[N@@H+]1C[C@H](C(=O)NC[C@H]2COCC[NH2+]2)OC2(CC[NH2+]CC2)C1	ZINC001220429214	780214128	/nfs/dbraw/zinc/21/41/28/780214128.db2.gz	NMRWDCNUNUDIRH-QWHCGFSZSA-N	3	0	312.414	-1.456	20	0		DAADRP
CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@H]1COCC[NH2+]1	ZINC001220428890	780214699	/nfs/dbraw/zinc/21/46/99/780214699.db2.gz	HDEOHQZOIYEQCH-SRVKXCTJSA-N	2	0	300.403	-1.031	20	0		DAADRP
CC(C)[C@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C(=O)N1CCOCC1	ZINC001220453479	780216524	/nfs/dbraw/zinc/21/65/24/780216524.db2.gz	DMPUVEIUJCFNIP-OLZOCXBDSA-N	2	0	324.425	-1.205	20	0		DAADRP
CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]([NH3+])CSCC[NH3+])O1	ZINC001220481520	780218066	/nfs/dbraw/zinc/21/80/66/780218066.db2.gz	JRFMIMSZJHTTDG-WGBDABJCSA-N	3	0	320.459	-1.153	20	0		DAADRP
CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@]2(N)CCC[NH2+]C2)O1	ZINC001220481851	780218222	/nfs/dbraw/zinc/21/82/22/780218222.db2.gz	SYUBGIYWCQFSIS-BYNQJWBRSA-N	2	0	300.403	-1.092	20	0		DAADRP
CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@]2(N)CCC[NH2+]C2)O1	ZINC001220481852	780218246	/nfs/dbraw/zinc/21/82/46/780218246.db2.gz	SYUBGIYWCQFSIS-HKUMRIAESA-N	2	0	300.403	-1.092	20	0		DAADRP
CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)O1	ZINC001220481583	780218576	/nfs/dbraw/zinc/21/85/76/780218576.db2.gz	KTFPHMANTIBSAE-FTQJZPFOSA-N	2	0	312.414	-1.221	20	0		DAADRP
[NH3+]CCOCCOCCNC(=O)[C@@H]1C[NH2+]C[C@H]2CCO[C@H]21	ZINC001220519233	780221922	/nfs/dbraw/zinc/22/19/22/780221922.db2.gz	HIWCZBXURGFUDZ-JHJVBQTASA-N	2	0	301.387	-1.281	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)CC[NH2+]C1	ZINC001220521971	780222581	/nfs/dbraw/zinc/22/25/81/780222581.db2.gz	WAOMRGDTTIANJL-BONVTDFDSA-N	3	0	308.382	-1.135	20	0		DAADRP
[NH3+]CCOCCOCCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1	ZINC001220519645	780223456	/nfs/dbraw/zinc/22/34/56/780223456.db2.gz	WLGLRMWDESOSHR-ZDUSSCGKSA-N	2	0	314.430	-1.031	20	0		DAADRP
CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1COC2(C[NH2+]C2)CN1	ZINC001220582989	780230153	/nfs/dbraw/zinc/23/01/53/780230153.db2.gz	AUBHKQSQKVQEJD-SNVBAGLBSA-N	2	0	300.359	-2.333	20	0		DAADRP
[NH3+]CC(=O)NCC(=O)NCc1ccccc1N1CC[NH2+]CC1	ZINC001220648940	780236761	/nfs/dbraw/zinc/23/67/61/780236761.db2.gz	ORXQLDJXXHMOBT-UHFFFAOYSA-N	2	0	305.382	-1.213	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1	ZINC001220755566	780242879	/nfs/dbraw/zinc/24/28/79/780242879.db2.gz	QOHRDTONVCEQLX-MCIONIFRSA-N	2	0	315.414	-1.502	20	0		DAADRP
COC[C@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1	ZINC001220764471	780244771	/nfs/dbraw/zinc/24/47/71/780244771.db2.gz	MDYGCNBGKCSMIN-XQQFMLRXSA-N	2	0	303.403	-1.239	20	0		DAADRP
C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O	ZINC001220764667	780245486	/nfs/dbraw/zinc/24/54/86/780245486.db2.gz	RSOYTSSZBMXAFS-MJBXVCDLSA-N	2	0	315.414	-1.238	20	0		DAADRP
CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1	ZINC001220768356	780245958	/nfs/dbraw/zinc/24/59/58/780245958.db2.gz	IJCNBYMZHHNHPN-XQQFMLRXSA-N	2	0	303.403	-1.239	20	0		DAADRP
COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2	ZINC001220770497	780247421	/nfs/dbraw/zinc/24/74/21/780247421.db2.gz	XQGIHURZQHMSEE-VXGBXAGGSA-N	2	0	321.381	-1.571	20	0		DAADRP
COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1	ZINC001220771865	780247857	/nfs/dbraw/zinc/24/78/57/780247857.db2.gz	FGSTVHHPOQELRK-OLZOCXBDSA-N	2	0	323.397	-1.053	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]C[C@H]2OC(C)=O)C[NH2+]C1	ZINC001220830171	780249941	/nfs/dbraw/zinc/24/99/41/780249941.db2.gz	QIQNHZJANCSQCF-ZYHUDNBSSA-N	2	0	311.338	-1.326	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)CN2CCCC[C@H]([NH3+])C2=O)C[NH2+]C1	ZINC001220828270	780250175	/nfs/dbraw/zinc/25/01/75/780250175.db2.gz	JYWCEYHSOMDYFZ-NSHDSACASA-N	2	0	324.381	-1.137	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]C[C@H]2OC(C)=O)C[NH2+]C1	ZINC001220830168	780250429	/nfs/dbraw/zinc/25/04/29/780250429.db2.gz	QIQNHZJANCSQCF-CMPLNLGQSA-N	2	0	311.338	-1.326	20	0		DAADRP
CCOC(=O)C1(NC(=O)CNC(=O)[C@@H]([NH3+])CC(C)C)C[NH2+]C1	ZINC001220851385	780252378	/nfs/dbraw/zinc/25/23/78/780252378.db2.gz	UPXXQMSFXSEPSO-JTQLQIEISA-N	2	0	314.386	-1.503	20	0		DAADRP
CCOC(=O)C1(NC(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)C[NH2+]C1	ZINC001220851481	780252605	/nfs/dbraw/zinc/25/26/05/780252605.db2.gz	XOBSNHNJGSHOGO-SNVBAGLBSA-N	2	0	324.381	-1.877	20	0		DAADRP
CCOC(=O)C1(NC(=O)CN(CC[NH3+])S(C)(=O)=O)C[NH2+]C1	ZINC001220851155	780252861	/nfs/dbraw/zinc/25/28/61/780252861.db2.gz	KAQQRMCIXBUCKG-UHFFFAOYSA-N	2	0	322.387	-2.772	20	0		DAADRP
O=C(NCCOCCN1C(=O)C=CC1=O)[C@@H]1C[NH2+]CC12C[NH2+]C2	ZINC001220877415	780256145	/nfs/dbraw/zinc/25/61/45/780256145.db2.gz	ZDNYLJPFCNLWAT-NSHDSACASA-N	2	0	322.365	-2.147	20	0		DAADRP
[NH3+]CCN(CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N(O)N=O	ZINC001220900216	780256183	/nfs/dbraw/zinc/25/61/83/780256183.db2.gz	DKUOGEXTTUWRQM-LPEHRKFASA-N	2	0	301.351	-2.399	20	0		DAADRP
[NH3+]CCN(CCNC(=O)[C@@]12C[NH2+]C[C@H]1CCN2)N(O)N=O	ZINC001220901068	780256190	/nfs/dbraw/zinc/25/61/90/780256190.db2.gz	SJVUEUUIXXIFCQ-MWLCHTKSSA-N	2	0	301.351	-2.398	20	0		DAADRP
NC(=[NH2+])NCCCCC(=O)NCCN(CC[NH3+])N(O)N=O	ZINC001220903748	780258590	/nfs/dbraw/zinc/25/85/90/780258590.db2.gz	YXHOEHXYKTTYQO-UHFFFAOYSA-N	2	0	304.355	-1.696	20	0		DAADRP
C[S@](=O)CC[C@H]([NH3+])C(=O)NCCN(CC[NH3+])N(O)N=O	ZINC001220903500	780259177	/nfs/dbraw/zinc/25/91/77/780259177.db2.gz	SXIWBRYUGGTPDE-FHZGZLOMSA-N	2	0	310.380	-2.253	20	0		DAADRP
O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2	ZINC001220936133	780260263	/nfs/dbraw/zinc/26/02/63/780260263.db2.gz	CVAUDJLNMTXOCZ-QWRGUYRKSA-N	2	0	317.411	-1.742	20	0		DAADRP
O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001220936752	780260811	/nfs/dbraw/zinc/26/08/11/780260811.db2.gz	IRWKCJUQOKMHNH-RYUDHWBXSA-N	2	0	310.398	-1.403	20	0		DAADRP
O=C(NCCO[C@H]1CC[NH2+]C1)c1cnc(N2CC[NH2+]CC2)cn1	ZINC001220937760	780261944	/nfs/dbraw/zinc/26/19/44/780261944.db2.gz	ZPLHGEJUUFMEEL-LBPRGKRZSA-N	2	0	320.397	-1.006	20	0		DAADRP
O=C(NCCO[C@@H]1CC[NH2+]C1)[C@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001220936753	780262599	/nfs/dbraw/zinc/26/25/99/780262599.db2.gz	IRWKCJUQOKMHNH-VXGBXAGGSA-N	2	0	310.398	-1.403	20	0		DAADRP
CC(=O)NCSC[C@H]([NH3+])C(=O)NCCO[C@@H]1CC[NH2+]C1	ZINC001220936873	780262844	/nfs/dbraw/zinc/26/28/44/780262844.db2.gz	JRBLTEDRWFAWHF-MNOVXSKESA-N	2	0	304.416	-1.365	20	0		DAADRP
CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2	ZINC001220961117	780264766	/nfs/dbraw/zinc/26/47/66/780264766.db2.gz	ZYAPZEAPKVFFAA-WOPDTQHZSA-N	2	0	311.382	-1.120	20	0		DAADRP
COC(=O)CC[C@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C(N)=O	ZINC001221018474	780271478	/nfs/dbraw/zinc/27/14/78/780271478.db2.gz	DEGLDQSSZMCRQS-GXSJLCMTSA-N	2	0	300.359	-1.763	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(CC[NH3+])c1ccc(F)cc1	ZINC001221060771	780273297	/nfs/dbraw/zinc/27/32/97/780273297.db2.gz	NDYCNGIEMMQSFX-CABZTGNLSA-N	2	0	312.345	-1.058	20	0		DAADRP
CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](CCC[NH3+])C(=O)OC	ZINC001221190538	780284806	/nfs/dbraw/zinc/28/48/06/780284806.db2.gz	RBQJHBGWQPZNGM-NHCYSSNCSA-N	2	0	316.402	-1.127	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1	ZINC001221250333	780285850	/nfs/dbraw/zinc/28/58/50/780285850.db2.gz	FVOWKQSYCYSWHV-ITDIGPHOSA-N	2	0	312.414	-1.151	20	0		DAADRP
O=C(NCCN1CCCS1(=O)=O)[C@H]1C[NH2+]CC12C[NH2+]C2	ZINC001221335211	780290277	/nfs/dbraw/zinc/29/02/77/780290277.db2.gz	DLAKCMDNQJMDAL-SNVBAGLBSA-N	2	0	302.400	-2.053	20	0		DAADRP
C[N@@H+]1C[C@H](C(=O)NC2=CC(=O)NCC2)OC2(CC[NH2+]CC2)C1	ZINC001221316911	780290525	/nfs/dbraw/zinc/29/05/25/780290525.db2.gz	NVMPFKWRDCSAIT-GFCCVEGCSA-N	2	0	308.382	-1.041	20	0		DAADRP
O=C(NCCN1CCCS1(=O)=O)[C@@H]1C[NH2+]CC12C[NH2+]C2	ZINC001221335210	780290613	/nfs/dbraw/zinc/29/06/13/780290613.db2.gz	DLAKCMDNQJMDAL-JTQLQIEISA-N	2	0	302.400	-2.053	20	0		DAADRP
[NH3+]CCCC[C@H]([NH3+])CC(=O)NCCN1CCCS1(=O)=O	ZINC001221335618	780290817	/nfs/dbraw/zinc/29/08/17/780290817.db2.gz	IJWSLUJBPLQSSE-NSHDSACASA-N	2	0	306.432	-1.016	20	0		DAADRP
[NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)CF	ZINC001221338477	780291799	/nfs/dbraw/zinc/29/17/99/780291799.db2.gz	QMXZKCUDJSOHCF-SRVKXCTJSA-N	2	0	318.393	-1.120	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1	ZINC001221398480	780291817	/nfs/dbraw/zinc/29/18/17/780291817.db2.gz	AEFVQGNOJRLVDH-BPNCWPANSA-N	2	0	320.393	-1.359	20	0		DAADRP
[NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H](O)CF	ZINC001221338482	780292234	/nfs/dbraw/zinc/29/22/34/780292234.db2.gz	QMXZKCUDJSOHCF-WOPDTQHZSA-N	2	0	318.393	-1.120	20	0		DAADRP
O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@H]1Cn2nnnc2C12CC[NH2+]CC2	ZINC001221367103	780292539	/nfs/dbraw/zinc/29/25/39/780292539.db2.gz	XOROJUNUIYTHQE-GMTAPVOTSA-N	2	0	323.376	-1.260	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC1(CO)CC[NH+](C)CC1	ZINC001221404902	780292686	/nfs/dbraw/zinc/29/26/86/780292686.db2.gz	MFIQQMMTRXIWQO-UWVGGRQHSA-N	2	0	302.375	-2.616	20	0		DAADRP
CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO	ZINC001221392027	780293048	/nfs/dbraw/zinc/29/30/48/780293048.db2.gz	RGUBWHJFODCFLQ-UWVGGRQHSA-N	3	0	316.406	-2.125	20	0		DAADRP
C[NH+](C)CCC(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1	ZINC001224337377	780321019	/nfs/dbraw/zinc/32/10/19/780321019.db2.gz	JJAOAFZHHYWRRE-UHFFFAOYSA-N	2	0	313.402	-1.039	20	0		DAADRP
NC(=O)NC(=O)CN1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1	ZINC001230047082	780359972	/nfs/dbraw/zinc/35/99/72/780359972.db2.gz	RBMOAEVNVXDWAM-UHFFFAOYSA-N	2	0	323.397	-1.142	20	0		DAADRP
Cn1cc(C[N@H+](C)CCN2CC[NH+](C)CC2)c(=O)n(C)c1=O	ZINC001231770041	780383340	/nfs/dbraw/zinc/38/33/40/780383340.db2.gz	CBOXVWAPPJQSTL-UHFFFAOYSA-N	2	0	309.414	-1.237	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])CC1C(=O)N=CNC1=O	ZINC001236310634	780420046	/nfs/dbraw/zinc/42/00/46/780420046.db2.gz	KRGNMVWEXPSMDV-UHFFFAOYSA-N	2	0	312.374	-1.496	20	0		DAADRP
COC(=O)C1(CNS(=O)(=O)[C@@H]2CC[NH2+]C2)CC[NH2+]CC1	ZINC001238108181	780434591	/nfs/dbraw/zinc/43/45/91/780434591.db2.gz	LHJVKXZCNWXLSK-SNVBAGLBSA-N	2	0	305.400	-1.190	20	0		DAADRP
CCOC(=O)C[C@]1(NS(=O)(=O)[C@H]2CC[NH2+]C2)CC[NH2+]C1	ZINC001238220471	780434641	/nfs/dbraw/zinc/43/46/41/780434641.db2.gz	LASOYWHXNLBOGX-CMPLNLGQSA-N	2	0	305.400	-1.047	20	0		DAADRP
COC(=O)C1(CNS(=O)(=O)[C@H]2CC[NH2+]C2)CC[NH2+]CC1	ZINC001238108149	780434865	/nfs/dbraw/zinc/43/48/65/780434865.db2.gz	LHJVKXZCNWXLSK-JTQLQIEISA-N	2	0	305.400	-1.190	20	0		DAADRP
O=S(=O)(NCc1nnc2n1CCC[NH2+]C2)C1CC[NH2+]CC1	ZINC001238256448	780436701	/nfs/dbraw/zinc/43/67/01/780436701.db2.gz	NYTYQFYWBDENAN-UHFFFAOYSA-N	2	0	314.415	-1.057	20	0		DAADRP
COC(=O)CC1(NS(=O)(=O)[C@H]2CC[NH2+]C2)CC[NH2+]CC1	ZINC001238807998	780439915	/nfs/dbraw/zinc/43/99/15/780439915.db2.gz	MMDXRBRVJORPLI-JTQLQIEISA-N	2	0	305.400	-1.047	20	0		DAADRP
O=C1CN(S(=O)(=O)[C@H]2CC[NH2+]C2)CC2(CC[NH2+]CC2)N1	ZINC001239014336	780440777	/nfs/dbraw/zinc/44/07/77/780440777.db2.gz	AYADCHAVCOJVAS-JTQLQIEISA-N	2	0	302.400	-1.768	20	0		DAADRP
O=S(=O)(C1CC[NH2+]CC1)N1CCOC[C@@]2(C[NH2+]CCO2)C1	ZINC001239000951	780440828	/nfs/dbraw/zinc/44/08/28/780440828.db2.gz	PQTRFFMJLFXQGK-CYBMUJFWSA-N	2	0	319.427	-1.241	20	0		DAADRP
O=C1NCCN(S(=O)(=O)CC2CC[NH2+]CC2)C12C[NH2+]C2	ZINC001239029866	780441305	/nfs/dbraw/zinc/44/13/05/780441305.db2.gz	CVTBTJUCTWHUIO-UHFFFAOYSA-N	2	0	302.400	-1.910	20	0		DAADRP
CNC(=O)C[N@@H+]1CCCC12CCN(S(=O)(=O)CC[NH3+])CC2	ZINC001239076979	780442297	/nfs/dbraw/zinc/44/22/97/780442297.db2.gz	VTPXWPXPRHRGFY-UHFFFAOYSA-N	2	0	318.443	-1.049	20	0		DAADRP
O=S(=O)([C@H]1CC[NH2+]C1)N1CCNCC[NH2+]CCNCC1	ZINC001239095723	780442328	/nfs/dbraw/zinc/44/23/28/780442328.db2.gz	HIEMXEVQFXELTE-LBPRGKRZSA-N	2	0	305.448	-2.238	20	0		DAADRP
COC(=O)c1cncc(S(=O)(=O)N(CC[NH3+])CC[NH3+])c1	ZINC001239096903	780442356	/nfs/dbraw/zinc/44/23/56/780442356.db2.gz	NDCJBPFLVOWHRZ-UHFFFAOYSA-N	2	0	302.356	-1.224	20	0		DAADRP
COC(=O)[C@@H]1C[C@@H]([NH3+])CN(S(=O)(=O)C2CC[NH2+]CC2)C1	ZINC001239087314	780442747	/nfs/dbraw/zinc/44/27/47/780442747.db2.gz	LUZZXLJSLQUKIC-NXEZZACHSA-N	2	0	305.400	-1.110	20	0		DAADRP
COC(=O)[C@H](C)NC(=O)N1CCNCC[NH2+]CCNCC1	ZINC001239286340	780443567	/nfs/dbraw/zinc/44/35/67/780443567.db2.gz	IBEUDAKYZCNXFG-NSHDSACASA-N	2	0	301.391	-1.658	20	0		DAADRP
O=S(=O)(CC1CC[NH2+]CC1)N1CC(N2CC[NH2+]CC2)C1	ZINC001239120054	780444066	/nfs/dbraw/zinc/44/40/66/780444066.db2.gz	RINUDYFGCPYRNW-UHFFFAOYSA-N	2	0	302.444	-1.095	20	0		DAADRP
CCOC(=O)[C@H]1C[NH2+]CCN1C[C@@H](O)CC1(O)CC[NH2+]CC1	ZINC001246031590	780447561	/nfs/dbraw/zinc/44/75/61/780447561.db2.gz	REMOMBQAXNFYBY-QWHCGFSZSA-N	2	0	315.414	-1.311	20	0		DAADRP
CCOC(=O)[C@H]1C[NH2+]CCN1C[C@H](O)CC1(O)CC[NH2+]CC1	ZINC001246031572	780448071	/nfs/dbraw/zinc/44/80/71/780448071.db2.gz	REMOMBQAXNFYBY-CHWSQXEVSA-N	2	0	315.414	-1.311	20	0		DAADRP
[NH3+]CCOCCOCCOCC[NH2+]CC1(O)CC[NH2+]CC1	ZINC001245990758	780448118	/nfs/dbraw/zinc/44/81/18/780448118.db2.gz	DUEQFXSLHRGCMC-UHFFFAOYSA-N	3	0	305.419	-1.301	20	0		DAADRP
COC(=O)[C@@H]1C[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CCN1	ZINC001246039478	780448135	/nfs/dbraw/zinc/44/81/35/780448135.db2.gz	MWWGFWOEGWJEHI-RYUDHWBXSA-N	2	0	301.387	-1.701	20	0		DAADRP
COC(=O)[C@H](CCC[NH3+])NC[C@@H](O)CC1(O)CC[NH2+]CC1	ZINC001246006461	780448279	/nfs/dbraw/zinc/44/82/79/780448279.db2.gz	IBCRDPGKUOCXLB-RYUDHWBXSA-N	2	0	303.403	-1.278	20	0		DAADRP
O=c1cc(C[NH2+]CC2(O)CC[NH2+]CC2)nc2n1CCCNC2	ZINC001245986089	780448392	/nfs/dbraw/zinc/44/83/92/780448392.db2.gz	UVDMEGUIVZCUFO-UHFFFAOYSA-N	2	0	307.398	-1.059	20	0		DAADRP
COC(=O)[C@@H](O)C[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1	ZINC001246048046	780449111	/nfs/dbraw/zinc/44/91/11/780449111.db2.gz	VDOIKPAWCJVGRV-TVEHIPJCSA-N	2	0	312.366	-1.149	20	0		DAADRP
O=C([C@@H]1C[C@@H](N[C@@H]2C[NH2+]CCOC2)C[NH2+]1)N1CCSC1	ZINC001246091586	780449136	/nfs/dbraw/zinc/44/91/36/780449136.db2.gz	DYTQDDRMKDDNDZ-UTUOFQBUSA-N	2	0	300.428	-1.172	20	0		DAADRP
O=C([C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@H]2O)C[NH2+]1)N1CCSC1	ZINC001246084567	780449175	/nfs/dbraw/zinc/44/91/75/780449175.db2.gz	FWUHBWVCANLODP-WRWGMCAJSA-N	2	0	300.428	-1.438	20	0		DAADRP
COC(=O)[C@H]1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)CC[C@@H]1[NH3+]	ZINC001246062443	780449265	/nfs/dbraw/zinc/44/92/65/780449265.db2.gz	LGEKADAZXAVRHK-AVGNSLFASA-N	2	0	315.414	-1.326	20	0		DAADRP
[NH3+]C1CN([C@H]2CCC[N@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C2)C1	ZINC001246046896	780449377	/nfs/dbraw/zinc/44/93/77/780449377.db2.gz	APCQXTNPHLTQOI-LSDHHAIUSA-N	3	0	312.458	-1.041	20	0		DAADRP
COC(=O)[C@@H]1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1[NH3+]	ZINC001246052823	780449395	/nfs/dbraw/zinc/44/93/95/780449395.db2.gz	OXPDKLILJXSSPG-QJPTWQEYSA-N	2	0	301.387	-1.716	20	0		DAADRP
COC(=O)[C@]1(N)CC[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1	ZINC001246056440	780449622	/nfs/dbraw/zinc/44/96/22/780449622.db2.gz	VPGUEGDCPBYALS-FZMZJTMJSA-N	2	0	301.387	-1.572	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@]1(O)CCC[NH2+]C1	ZINC001246049765	780449668	/nfs/dbraw/zinc/44/96/68/780449668.db2.gz	AZUKLHXFKMGWIS-CQSZACIVSA-N	3	0	301.435	-1.783	20	0		DAADRP
COC(=O)[C@@H]1C[C@H]([NH3+])CN(C[C@H](O)CC2(O)CC[NH2+]CC2)C1	ZINC001246054938	780449872	/nfs/dbraw/zinc/44/98/72/780449872.db2.gz	IYAUVVLDMSHYCY-FRRDWIJNSA-N	2	0	315.414	-1.326	20	0		DAADRP
CC(C)OC[C@@H](O)CN(CCC[NH3+])CC(=O)NCCC[NH3+]	ZINC001246052381	780449887	/nfs/dbraw/zinc/44/98/87/780449887.db2.gz	KUJIKBBENLQFNZ-ZDUSSCGKSA-N	2	0	304.435	-1.112	20	0		DAADRP
O=C([C@@H]1C[C@H]([NH2+]CC2(O)CC[NH2+]CC2)CN1)N1CCSC1	ZINC001246173330	780450617	/nfs/dbraw/zinc/45/06/17/780450617.db2.gz	LGXHKJUPXJTHHQ-RYUDHWBXSA-N	2	0	314.455	-1.046	20	0		DAADRP
O=C([C@@H]1C[C@H](N[C@@H]2CCOC23C[NH2+]C3)C[NH2+]1)N1CCSC1	ZINC001246129176	780450741	/nfs/dbraw/zinc/45/07/41/780450741.db2.gz	SVUKRRXWDZFERW-SDDRHHMPSA-N	2	0	312.439	-1.030	20	0		DAADRP
COC(=O)[C@H]1C[C@H]([NH2+]C[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CN1	ZINC001246147599	780450754	/nfs/dbraw/zinc/45/07/54/780450754.db2.gz	YUNOGQLLGXGBSG-COMQUAJESA-N	2	0	313.398	-1.125	20	0		DAADRP
COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CN1	ZINC001246147600	780450790	/nfs/dbraw/zinc/45/07/90/780450790.db2.gz	YUNOGQLLGXGBSG-OSFYFWSMSA-N	2	0	313.398	-1.125	20	0		DAADRP
O=S1(=O)CC[C@H]([NH2+][C@H]2CSC3(C[NH2+]C3)C2)C12CNC2	ZINC001246147030	780450794	/nfs/dbraw/zinc/45/07/94/780450794.db2.gz	PEDZZHFIXVDPFC-ZJUUUORDSA-N	2	0	303.453	-1.047	20	0		DAADRP
O=c1cc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)nc2n1CCCNC2	ZINC001246128918	780451205	/nfs/dbraw/zinc/45/12/05/780451205.db2.gz	CEIJRZIBUNCAHH-LBPRGKRZSA-N	2	0	318.425	-1.080	20	0		DAADRP
O=S(=O)(CC[NH2+][C@@H]1CCC2(C[NH2+]C2)C1)N1CCNCC1	ZINC001246102905	780451263	/nfs/dbraw/zinc/45/12/63/780451263.db2.gz	UETFLQRNKVYMQV-GFCCVEGCSA-N	2	0	302.444	-1.047	20	0		DAADRP
O=S1(=O)CC[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C12CNC2	ZINC001246140196	780451280	/nfs/dbraw/zinc/45/12/80/780451280.db2.gz	FZPKSOVVYBGFIJ-WDEREUQCSA-N	2	0	300.428	-1.801	20	0		DAADRP
O=C([C@@H]1C[C@@H](NC[C@@]23C[NH2+][C@@H](CO2)C3)C[NH2+]1)N1CCSC1	ZINC001246145923	780451415	/nfs/dbraw/zinc/45/14/15/780451415.db2.gz	GFNNJIKRLSSINE-NMKXLXIOSA-N	2	0	312.439	-1.030	20	0		DAADRP
O=C([C@@H]1C[C@@H](N[C@@]2(CCO)CC[NH2+]C2)C[NH2+]1)N1CCSC1	ZINC001246295835	780452005	/nfs/dbraw/zinc/45/20/05/780452005.db2.gz	PPNRLGWKELFMSA-MBNYWOFBSA-N	2	0	314.455	-1.046	20	0		DAADRP
[NH3+]CCOCCOCCOCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1	ZINC001246288095	780452758	/nfs/dbraw/zinc/45/27/58/780452758.db2.gz	LILXMYQXTDHGNX-CQSZACIVSA-N	3	0	316.446	-1.322	20	0		DAADRP
CC(=O)N[C@@H](CCCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(N)=O	ZINC001246266263	780452894	/nfs/dbraw/zinc/45/28/94/780452894.db2.gz	AXZKJZANYLKWOM-OLZOCXBDSA-N	2	0	311.430	-1.170	20	0		DAADRP
O=C([C@@H]1C[C@@H](NC[C@@]2(O)CCC[NH2+]C2)C[NH2+]1)N1CCSC1	ZINC001246226138	780453172	/nfs/dbraw/zinc/45/31/72/780453172.db2.gz	FRFWGLWISVRXKH-MBNYWOFBSA-N	2	0	314.455	-1.046	20	0		DAADRP
Cc1cn(CC(=O)NCC[NH2+]C2CC[NH2+]CC2)c(=O)[nH]c1=O	ZINC001246304186	780453293	/nfs/dbraw/zinc/45/32/93/780453293.db2.gz	KKJBIXMDQJSWDT-UHFFFAOYSA-N	2	0	309.370	-1.285	20	0		DAADRP
COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]CCNCC[NH3+]	ZINC001246405578	780453739	/nfs/dbraw/zinc/45/37/39/780453739.db2.gz	QIEDJVLQJMMIFR-NSHDSACASA-N	2	0	309.432	-1.119	20	0		DAADRP
O=C([C@@H]1C[C@H](N[C@H]2C[NH2+]C[C@H]2CO)C[NH2+]1)N1CCSC1	ZINC001246311538	780454396	/nfs/dbraw/zinc/45/43/96/780454396.db2.gz	WTYCBMWNCQDXEG-BJDJZHNGSA-N	2	0	300.428	-1.580	20	0		DAADRP
O=C1NCC[C@]12C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC21C[NH2+]C1	ZINC001246626025	780455225	/nfs/dbraw/zinc/45/52/25/780455225.db2.gz	JDTABDVXZZCNLV-LRDDRELGSA-N	3	0	305.426	-1.508	20	0		DAADRP
O=C([C@@H]1C[C@@H](N2CC[NH2+]C[C@@H](O)C2)C[NH2+]1)N1CCSC1	ZINC001246597266	780455593	/nfs/dbraw/zinc/45/55/93/780455593.db2.gz	FZDFUVSFCAMDLU-UTUOFQBUSA-N	2	0	300.428	-1.484	20	0		DAADRP
O=C([C@@H]1C[C@H](N2CC[NH2+]C[C@H](O)C2)C[NH2+]1)N1CCSC1	ZINC001246597264	780455651	/nfs/dbraw/zinc/45/56/51/780455651.db2.gz	FZDFUVSFCAMDLU-SRVKXCTJSA-N	2	0	300.428	-1.484	20	0		DAADRP
[NH3+][C@@H]1C[C@H](O)CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1	ZINC001246541590	780455701	/nfs/dbraw/zinc/45/57/01/780455701.db2.gz	OYFFWTAJFPGSQF-WYUUTHIRSA-N	2	0	300.428	-1.356	20	0		DAADRP
C[C@H]1C[C@@H]([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CC[NH2+]1	ZINC001246524127	780455808	/nfs/dbraw/zinc/45/58/08/780455808.db2.gz	JQGCUSBFJJYDNA-QCXNTBKTSA-N	2	0	304.387	-1.439	20	0		DAADRP
[NH3+][C@@H]1C[C@@H](O)CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1	ZINC001246541586	780455849	/nfs/dbraw/zinc/45/58/49/780455849.db2.gz	OYFFWTAJFPGSQF-KXNHARMFSA-N	2	0	300.428	-1.356	20	0		DAADRP
COC(=O)C1C[C@@H]2CC(N3CCNC(=O)C34C[NH2+]C4)C[C@H](C1)[NH2+]2	ZINC001246638812	780457110	/nfs/dbraw/zinc/45/71/10/780457110.db2.gz	UJAKFTYSQXHPLM-UNTZMWQOSA-N	2	0	322.409	-1.168	20	0		DAADRP
COC(=O)[C@@H]1C[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CCN1	ZINC001246820527	780457211	/nfs/dbraw/zinc/45/72/11/780457211.db2.gz	JZZXFNAYXCCSGQ-KGLIPLIRSA-N	2	0	313.446	-1.636	20	0		DAADRP
O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@@H]1C[NH2+]CCOC1)O3	ZINC001247012930	780459152	/nfs/dbraw/zinc/45/91/52/780459152.db2.gz	VGMBGWFDOAXLKG-WYUUTHIRSA-N	2	0	303.384	-1.880	20	0		DAADRP
O=S1(=O)[C@@H]2CC[NH2+]CC[C@@H]2CN1[C@@H]1CN2C[C@H]1[NH2+]CC2	ZINC001247013078	780460086	/nfs/dbraw/zinc/46/00/86/780460086.db2.gz	VRYINMWIRLEPJN-FDYHWXHSSA-N	2	0	300.428	-1.344	20	0		DAADRP
OCC[NH+]1CCC(C[NH2+]C[C@@H](O)CN2CCOCC2)CC1	ZINC001251036492	780464602	/nfs/dbraw/zinc/46/46/02/780464602.db2.gz	HWXFRMWIVYGYSO-OAHLLOKOSA-N	2	0	301.431	-1.027	20	0		DAADRP
C[C@@H]1O[C@@H](OCC[NH2+][C@@H]2CCC[N@H+](C)CC2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC001254514072	780488163	/nfs/dbraw/zinc/48/81/63/780488163.db2.gz	IYPWQAOHUUSWPK-RUDNTAQLSA-N	2	0	318.414	-1.096	20	0		DAADRP
C[C@@H](CC(=O)N1CCOCC1)[NH2+]CCN(CC[NH3+])N(O)N=O	ZINC001256327176	780509375	/nfs/dbraw/zinc/50/93/75/780509375.db2.gz	AVZXEIJCFFDZQE-NSHDSACASA-N	2	0	318.378	-1.238	20	0		DAADRP
O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC001261554347	780548367	/nfs/dbraw/zinc/54/83/67/780548367.db2.gz	BLWDRCUCTNRZPN-RWMBFGLXSA-N	2	0	310.398	-1.620	20	0		DAADRP
C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCC2C[NH2+]C2)CCO1	ZINC001261633401	780550470	/nfs/dbraw/zinc/55/04/70/780550470.db2.gz	FKVRVLJOEHDLMQ-ZDUSSCGKSA-N	2	0	312.414	-1.109	20	0		DAADRP
C[N@H+](CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C1CC1	ZINC001261633194	780551376	/nfs/dbraw/zinc/55/13/76/780551376.db2.gz	ZCZDIETWXBKEEX-UHFFFAOYSA-N	2	0	322.369	-1.533	20	0		DAADRP
CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC001261824158	780559588	/nfs/dbraw/zinc/55/95/88/780559588.db2.gz	RGXWTIHRFJBKTN-ZDUSSCGKSA-N	2	0	312.414	-1.109	20	0		DAADRP
[NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1	ZINC001262067033	780567172	/nfs/dbraw/zinc/56/71/72/780567172.db2.gz	QIGJNHHILZPIJQ-LPWJVIDDSA-N	2	0	310.398	-1.181	20	0		DAADRP
COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1	ZINC001262490596	780571596	/nfs/dbraw/zinc/57/15/96/780571596.db2.gz	ZTJWBQDUMGIRGF-MELADBBJSA-N	2	0	324.425	-1.014	20	0		DAADRP
CCON(CC)C(=O)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1	ZINC001262577639	780575829	/nfs/dbraw/zinc/57/58/29/780575829.db2.gz	VAUBKEMUNIEQIK-CYBMUJFWSA-N	2	0	302.419	-1.016	20	0		DAADRP
CN(CCC[NH+](C)C)CCNC(=O)[C@]1(C(=O)[O-])C[NH2+]CCO1	ZINC001263155164	780576895	/nfs/dbraw/zinc/57/68/95/780576895.db2.gz	NFTKTAPMZWYHTL-AWEZNQCLSA-N	2	0	316.402	-1.571	20	0		DAADRP
COCC[N@H+](C)C[C@@H](O)CN1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC000386978565	780583443	/nfs/dbraw/zinc/58/34/43/780583443.db2.gz	SBBPMVSVUJTYIC-HUUCEWRRSA-N	2	0	300.447	-1.095	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)C1	ZINC001265531255	780603281	/nfs/dbraw/zinc/60/32/81/780603281.db2.gz	DQFKDYVUQAVGKQ-TUAOUCFPSA-N	2	0	318.443	-1.133	20	0		DAADRP
C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCN1C(=O)CNC1=O	ZINC001265864483	780611420	/nfs/dbraw/zinc/61/14/20/780611420.db2.gz	UIWKNOBKLZUOTH-NSHDSACASA-N	2	0	311.386	-1.272	20	0		DAADRP
C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCN1C(=O)CNC1=O	ZINC001265864482	780612267	/nfs/dbraw/zinc/61/22/67/780612267.db2.gz	UIWKNOBKLZUOTH-LLVKDONJSA-N	2	0	311.386	-1.272	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O	ZINC001283790915	780776392	/nfs/dbraw/zinc/77/63/92/780776392.db2.gz	BQHPHTQEGLGGHV-WDEREUQCSA-N	2	0	322.431	-2.304	20	0		DAADRP
COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)CN(C)C(N)=[NH2+]	ZINC001144144131	781366309	/nfs/dbraw/zinc/36/63/09/781366309.db2.gz	XORUYVYCHOMVMR-JTQLQIEISA-N	2	0	310.358	-1.164	20	0		DAADRP
CC(C=CC[NH3+])=Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1	ZINC001171264805	781409266	/nfs/dbraw/zinc/40/92/66/781409266.db2.gz	YBCCZZFNUPMNEV-GZPXPHEASA-N	2	0	323.353	-1.557	20	0		DAADRP
CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	ZINC001146631608	781418818	/nfs/dbraw/zinc/41/88/18/781418818.db2.gz	GQBTYNPJONWHPB-IJLUTSLNSA-N	2	0	314.386	-1.537	20	0		DAADRP
CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1	ZINC001146719940	781420294	/nfs/dbraw/zinc/42/02/94/781420294.db2.gz	XJNDWUCHJSWEKN-UHFFFAOYSA-N	2	0	313.402	-2.008	20	0		DAADRP
CCOC(=O)C1(C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)C[NH2+]C1	ZINC001160999447	781420941	/nfs/dbraw/zinc/42/09/41/781420941.db2.gz	DUJMXSRIUBEHMR-LLVKDONJSA-N	2	0	311.382	-1.146	20	0		DAADRP
C[C@H]([NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)C(=O)NC(N)=O	ZINC001171303354	781441179	/nfs/dbraw/zinc/44/11/79/781441179.db2.gz	HEKLESMGRGOJKJ-JTQLQIEISA-N	2	0	311.386	-1.239	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C	ZINC001147892926	781458410	/nfs/dbraw/zinc/45/84/10/781458410.db2.gz	KZZOIBBSDFLEGH-JTQLQIEISA-N	2	0	317.390	-1.886	20	0		DAADRP
CCN1CC[C@@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C1=O	ZINC001147893433	781458968	/nfs/dbraw/zinc/45/89/68/781458968.db2.gz	QFKNLOVHFWFQMN-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CCNS(C)(=O)=O)C1	ZINC001147893355	781459088	/nfs/dbraw/zinc/45/90/88/781459088.db2.gz	OQLRTCSYWWCJGQ-LLVKDONJSA-N	2	0	306.432	-1.417	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCC[NH2+]CCN1C(=O)CCC1=O	ZINC001147892996	781459210	/nfs/dbraw/zinc/45/92/10/781459210.db2.gz	NEOYMFQVKMEVND-UHFFFAOYSA-N	2	0	314.386	-1.581	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1	ZINC001147891536	781459668	/nfs/dbraw/zinc/45/96/68/781459668.db2.gz	BQAHCLDPLCSIMB-CYBMUJFWSA-N	2	0	313.402	-1.472	20	0		DAADRP
COCCOC[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1	ZINC000234874368	781460558	/nfs/dbraw/zinc/46/05/58/781460558.db2.gz	NKZLXVUHRSYFND-CHWSQXEVSA-N	2	0	303.403	-1.203	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001147899984	781460958	/nfs/dbraw/zinc/46/09/58/781460958.db2.gz	FTMFXFRYTCRGAL-WDEREUQCSA-N	2	0	313.402	-1.122	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001147877423	781461187	/nfs/dbraw/zinc/46/11/87/781461187.db2.gz	JUPYFNXALQOKKN-LLVKDONJSA-N	2	0	313.402	-1.120	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2	ZINC001147977123	781461373	/nfs/dbraw/zinc/46/13/73/781461373.db2.gz	JWRQDWMTPRDAIG-UHFFFAOYSA-N	2	0	311.386	-1.366	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1	ZINC001147877208	781461850	/nfs/dbraw/zinc/46/18/50/781461850.db2.gz	GSDAXPOGUXXQRI-CYBMUJFWSA-N	2	0	312.414	-1.107	20	0		DAADRP
C[NH+](C)CCCCC(=O)NCC[NH2+]CCNS(C)(=O)=O	ZINC001148364853	781470010	/nfs/dbraw/zinc/47/00/10/781470010.db2.gz	FFWJLFWHVHSTFU-UHFFFAOYSA-N	2	0	308.448	-1.027	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCNC(=O)CCCC[NH+](C)C	ZINC001148359940	781470572	/nfs/dbraw/zinc/47/05/72/781470572.db2.gz	HOGFEXHGUCCKPX-UHFFFAOYSA-N	2	0	301.391	-1.120	20	0		DAADRP
C[NH+](C)CCOCC(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCNC1=O)C2	ZINC001148605764	781475456	/nfs/dbraw/zinc/47/54/56/781475456.db2.gz	UQWQWQDCCHOWKJ-ZDUSSCGKSA-N	2	0	324.425	-1.013	20	0		DAADRP
CCC[N@H+](C)CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O	ZINC001148642021	781475924	/nfs/dbraw/zinc/47/59/24/781475924.db2.gz	BYHBTDGMXUFKBP-UHFFFAOYSA-N	2	0	313.402	-1.024	20	0		DAADRP
CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCOCC1	ZINC001148638811	781476329	/nfs/dbraw/zinc/47/63/29/781476329.db2.gz	SRXBIUSRVZBZLG-UHFFFAOYSA-N	2	0	300.403	-1.107	20	0		DAADRP
CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC	ZINC001148656249	781476476	/nfs/dbraw/zinc/47/64/76/781476476.db2.gz	XYRAYTNNVXMITB-JTQLQIEISA-N	2	0	301.391	-1.122	20	0		DAADRP
CNC(=O)C[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1	ZINC001176162693	781613356	/nfs/dbraw/zinc/61/33/56/781613356.db2.gz	YECOJFYGJFVVGT-GFCCVEGCSA-N	2	0	300.403	-1.203	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001176057533	781613379	/nfs/dbraw/zinc/61/33/79/781613379.db2.gz	PSHMVDHYFCDUKJ-LBPRGKRZSA-N	2	0	320.459	-1.027	20	0		DAADRP
O=C(C[NH+]1CCCC1)NCCC[NH2+]CCN1C(=O)CNC1=O	ZINC001176110431	781613749	/nfs/dbraw/zinc/61/37/49/781613749.db2.gz	PCWZIXXLIMSNCV-UHFFFAOYSA-N	2	0	311.386	-1.270	20	0		DAADRP
C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@@H]1CCC[N@@H+]1C	ZINC001178356248	781645761	/nfs/dbraw/zinc/64/57/61/781645761.db2.gz	KHQHLDNENFMEIU-DCAQKATOSA-N	2	0	311.386	-1.146	20	0		DAADRP
CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001151044069	781686996	/nfs/dbraw/zinc/68/69/96/781686996.db2.gz	NEZYGOIHQZFOBO-MNOVXSKESA-N	2	0	313.402	-1.122	20	0		DAADRP
CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001151066165	781694078	/nfs/dbraw/zinc/69/40/78/781694078.db2.gz	RGBXQUHYFBSOCD-CYBMUJFWSA-N	2	0	300.403	-1.203	20	0		DAADRP
CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001151066166	781694863	/nfs/dbraw/zinc/69/48/63/781694863.db2.gz	RGBXQUHYFBSOCD-ZDUSSCGKSA-N	2	0	300.403	-1.203	20	0		DAADRP
C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)CCO1	ZINC001151064969	781695140	/nfs/dbraw/zinc/69/51/40/781695140.db2.gz	GJVPUUIEOZFCPS-QWHCGFSZSA-N	2	0	312.414	-1.109	20	0		DAADRP
[NH3+]CCN(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)N(O)N=O	ZINC001182015686	781696701	/nfs/dbraw/zinc/69/67/01/781696701.db2.gz	FKIJWHDERROCDV-NSHDSACASA-N	2	0	300.363	-1.007	20	0		DAADRP
CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C1CN(S(C)(=O)=O)C1	ZINC001183026341	781721280	/nfs/dbraw/zinc/72/12/80/781721280.db2.gz	CMBQVWOBASKZOP-UHFFFAOYSA-N	2	0	319.431	-1.058	20	0		DAADRP
C[N@H+](CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)C1CCC1	ZINC001183288759	781724418	/nfs/dbraw/zinc/72/44/18/781724418.db2.gz	NIPYPJXFQCQZIJ-SNVBAGLBSA-N	2	0	311.386	-1.144	20	0		DAADRP
CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C	ZINC001183437211	781725611	/nfs/dbraw/zinc/72/56/11/781725611.db2.gz	UOCMLNOHTOEFOR-PWSUYJOCSA-N	2	0	313.402	-1.042	20	0		DAADRP
CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C[C@@H]1NC(=O)CNC1=O	ZINC001183730910	781735120	/nfs/dbraw/zinc/73/51/20/781735120.db2.gz	ZQEFKZMDBMUOAP-VIFPVBQESA-N	2	0	312.374	-1.945	20	0		DAADRP
C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1	ZINC001185416144	781761293	/nfs/dbraw/zinc/76/12/93/781761293.db2.gz	OSHWPYZLKOUFDM-LLVKDONJSA-N	2	0	311.386	-1.320	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1	ZINC001185401911	781761517	/nfs/dbraw/zinc/76/15/17/781761517.db2.gz	YSRCQTCBJQAWLY-WDEREUQCSA-N	2	0	313.402	-1.027	20	0		DAADRP
CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1	ZINC001186459771	781778693	/nfs/dbraw/zinc/77/86/93/781778693.db2.gz	ZUNHBVTZCWYJIY-LLVKDONJSA-N	2	0	313.402	-1.026	20	0		DAADRP
CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1	ZINC001187114912	781795483	/nfs/dbraw/zinc/79/54/83/781795483.db2.gz	BNRWEKAPJCJFKC-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1	ZINC001187115792	781796025	/nfs/dbraw/zinc/79/60/25/781796025.db2.gz	UCGSPIKGFMQXKD-CHWSQXEVSA-N	2	0	303.403	-1.238	20	0		DAADRP
CN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O	ZINC001187107221	781796150	/nfs/dbraw/zinc/79/61/50/781796150.db2.gz	XSQQBUAXKYMODG-OLZOCXBDSA-N	2	0	312.414	-1.014	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1	ZINC001187824896	781807577	/nfs/dbraw/zinc/80/75/77/781807577.db2.gz	BRFPJQAHDDJROY-VXGBXAGGSA-N	2	0	318.443	-1.322	20	0		DAADRP
COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1	ZINC001376860914	921738622	/nfs/dbraw/zinc/73/86/22/921738622.db2.gz	JKFVMDLPQUMGFQ-KGLIPLIRSA-N	2	0	315.414	-1.094	20	0		DAADRP
O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCCC[NH+]1CCC(O)CC1	ZINC001118933923	916136130	/nfs/dbraw/zinc/13/61/30/916136130.db2.gz	VVPNGOJPYBQEQQ-ZDUSSCGKSA-N	2	0	321.443	-1.259	20	0		DAADRP
[NH3+]CCOCCOCCOCC[NH2+]C[C@]1(O)CCC[NH2+]C1	ZINC001245994038	916170328	/nfs/dbraw/zinc/17/03/28/916170328.db2.gz	OAIHRSYJOZUDLS-AWEZNQCLSA-N	3	0	305.419	-1.301	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1	ZINC001317309044	916288799	/nfs/dbraw/zinc/28/87/99/916288799.db2.gz	BRFPJQAHDDJROY-NEPJUHHUSA-N	2	0	318.443	-1.322	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1	ZINC001317309045	916290198	/nfs/dbraw/zinc/29/01/98/916290198.db2.gz	BRFPJQAHDDJROY-RYUDHWBXSA-N	2	0	318.443	-1.322	20	0		DAADRP
O=C(COCC(=O)NCC[NH+]1CC=CC1)NCC[NH+]1CC=CC1	ZINC001319036688	916417492	/nfs/dbraw/zinc/41/74/92/916417492.db2.gz	UQOPUSQKTQKSFJ-UHFFFAOYSA-N	2	0	322.409	-1.021	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCn1cncn1	ZINC001320266152	916490763	/nfs/dbraw/zinc/49/07/63/916490763.db2.gz	ZUBOGKZHTWGPDL-STQMWFEESA-N	2	0	310.402	-1.171	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001321064714	916544251	/nfs/dbraw/zinc/54/42/51/916544251.db2.gz	OIPNPTUJVSZEEP-ISUDXETCSA-N	2	0	323.397	-1.215	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001321064713	916545750	/nfs/dbraw/zinc/54/57/50/916545750.db2.gz	OIPNPTUJVSZEEP-BIOMNHJASA-N	2	0	323.397	-1.215	20	0		DAADRP
C[C@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)[C@H]1CCC[N@@H+]1C	ZINC001321617843	916582167	/nfs/dbraw/zinc/58/21/67/916582167.db2.gz	SBCHSPLJYGVORE-GHMZBOCLSA-N	2	0	306.432	-1.276	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)CC[NH+](C)C	ZINC001322678618	916655692	/nfs/dbraw/zinc/65/56/92/916655692.db2.gz	RZRSXFIBXNAXPR-UHFFFAOYSA-N	2	0	301.391	-1.168	20	0		DAADRP
C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N(CC[NH3+])CCO	ZINC001325347343	916843504	/nfs/dbraw/zinc/84/35/04/916843504.db2.gz	ZNGLANMIUBLGIA-RYUDHWBXSA-N	2	0	300.403	-1.245	20	0		DAADRP
CO[C@@H](C)C[NH2+]CCN(CCO)C(=O)[C@H]1CN(C)CCO1	ZINC001325997533	916880725	/nfs/dbraw/zinc/88/07/25/916880725.db2.gz	RUMVLMRRPKQPEA-QWHCGFSZSA-N	2	0	303.403	-1.238	20	0		DAADRP
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CNC(=O)C[NH3+]	ZINC001326004062	916884127	/nfs/dbraw/zinc/88/41/27/916884127.db2.gz	ARTFMYDEUNLCEG-NSHDSACASA-N	2	0	313.402	-1.880	20	0		DAADRP
NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21	ZINC001326107654	916899645	/nfs/dbraw/zinc/89/96/45/916899645.db2.gz	PLWCMLLNARBPMX-OLZOCXBDSA-N	2	0	312.414	-1.101	20	0		DAADRP
OC[C@H]1C[N@H+](CCCCC[NH+]2C[C@@H](O)[C@H](CO)C2)C[C@@H]1O	ZINC001327067538	916990160	/nfs/dbraw/zinc/99/01/60/916990160.db2.gz	PUKXVDNIKDXBQD-PYHGIMPFSA-N	2	0	302.415	-1.273	20	0		DAADRP
C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC001327175176	916992310	/nfs/dbraw/zinc/99/23/10/916992310.db2.gz	CMHYHSIYCUATLE-MELADBBJSA-N	2	0	324.425	-1.326	20	0		DAADRP
CN(CCC[NH3+])C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1	ZINC001327510592	917020519	/nfs/dbraw/zinc/02/05/19/917020519.db2.gz	UBFGBWJWSLYQAA-UHFFFAOYSA-N	2	0	313.446	-1.064	20	0		DAADRP
CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1	ZINC001327525294	917022697	/nfs/dbraw/zinc/02/26/97/917022697.db2.gz	SWXWCFDGMZVMGQ-ZDUSSCGKSA-N	2	0	311.430	-1.440	20	0		DAADRP
CN(C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1CCC([NH3+])CC1	ZINC001327708233	917038042	/nfs/dbraw/zinc/03/80/42/917038042.db2.gz	VNKLTULMUYBCCD-CLRIEMFWSA-N	2	0	324.425	-1.008	20	0		DAADRP
C[NH+]1CCN(C[C@H](O)C[NH2+]CCNC(=O)c2ccn[nH]2)CC1	ZINC001327991817	917057270	/nfs/dbraw/zinc/05/72/70/917057270.db2.gz	KSXJHAUAWBQPOI-GFCCVEGCSA-N	2	0	310.402	-1.663	20	0		DAADRP
[NH3+]CCNS(=O)(=O)c1cccc(NC(=O)COCC[NH3+])c1	ZINC001328477133	917090735	/nfs/dbraw/zinc/09/07/35/917090735.db2.gz	FLBPVNXWPOVPCX-UHFFFAOYSA-N	2	0	316.383	-1.163	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCOCCC[NH3+]	ZINC001328971007	917124624	/nfs/dbraw/zinc/12/46/24/917124624.db2.gz	DDTYIPYLKVTGFO-LBPRGKRZSA-N	2	0	315.418	-2.170	20	0		DAADRP
C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C[NH+]1CCN(C)CC1	ZINC001329453306	917169644	/nfs/dbraw/zinc/16/96/44/917169644.db2.gz	BMTBMWHDULNINT-QWHCGFSZSA-N	2	0	311.430	-1.536	20	0		DAADRP
C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CCN1C(=O)CNC1=O	ZINC001329531860	917178616	/nfs/dbraw/zinc/17/86/16/917178616.db2.gz	MXANAVZRBJSSKC-LLVKDONJSA-N	2	0	313.402	-1.074	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1	ZINC001331119782	917279262	/nfs/dbraw/zinc/27/92/62/917279262.db2.gz	PVETZCLYLREKTH-FRRDWIJNSA-N	2	0	311.430	-1.266	20	0		DAADRP
[NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1	ZINC001331168203	917283584	/nfs/dbraw/zinc/28/35/84/917283584.db2.gz	QIGJNHHILZPIJQ-RNJOBUHISA-N	2	0	310.398	-1.181	20	0		DAADRP
C[C@H]([NH3+])CCNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1	ZINC001331319547	917290436	/nfs/dbraw/zinc/29/04/36/917290436.db2.gz	NZIBGFCUXUATQX-ZDUSSCGKSA-N	2	0	313.446	-1.064	20	0		DAADRP
O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC001331742429	917328731	/nfs/dbraw/zinc/32/87/31/917328731.db2.gz	BGAWOXFREGIWEA-XQQFMLRXSA-N	2	0	310.398	-1.166	20	0		DAADRP
O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCC[NH+]1CCC(O)CC1	ZINC001332151540	917357131	/nfs/dbraw/zinc/35/71/31/917357131.db2.gz	DNUUGOINPNJEHQ-CYBMUJFWSA-N	2	0	312.414	-1.182	20	0		DAADRP
CNS(=O)(=O)CCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1	ZINC001332288082	917360587	/nfs/dbraw/zinc/36/05/87/917360587.db2.gz	NKOHSIZJJXBDKF-LBPRGKRZSA-N	2	0	308.448	-1.876	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21	ZINC001332250694	917361200	/nfs/dbraw/zinc/36/12/00/917361200.db2.gz	NOVNHFWFUNQRGD-MCIONIFRSA-N	2	0	323.441	-1.299	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21	ZINC001332250696	917361758	/nfs/dbraw/zinc/36/17/58/917361758.db2.gz	NOVNHFWFUNQRGD-MGPQQGTHSA-N	2	0	323.441	-1.299	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1	ZINC001332331706	917363777	/nfs/dbraw/zinc/36/37/77/917363777.db2.gz	LOZCTENRAKSEBN-BETUJISGSA-N	3	0	313.446	-1.208	20	0		DAADRP
C[NH+]1CCN(CCCCNS(=O)(=O)N2CC[NH2+]CC2)CC1	ZINC001332365437	917366592	/nfs/dbraw/zinc/36/65/92/917366592.db2.gz	SOLNAZBIIFQVAO-UHFFFAOYSA-N	2	0	319.475	-1.246	20	0		DAADRP
[NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC001332415522	917368797	/nfs/dbraw/zinc/36/87/97/917368797.db2.gz	DDIRYEMKIVEOGW-FRRDWIJNSA-N	2	0	310.398	-1.539	20	0		DAADRP
COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1	ZINC001334787856	917508462	/nfs/dbraw/zinc/50/84/62/917508462.db2.gz	KUEKMUREUYZXTE-QWHCGFSZSA-N	2	0	312.414	-1.157	20	0		DAADRP
COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1	ZINC001334787857	917509029	/nfs/dbraw/zinc/50/90/29/917509029.db2.gz	KUEKMUREUYZXTE-STQMWFEESA-N	2	0	312.414	-1.157	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1	ZINC001335207294	917531638	/nfs/dbraw/zinc/53/16/38/917531638.db2.gz	KWDVNTJWGFMJDC-AGIUHOORSA-N	2	0	311.430	-1.408	20	0		DAADRP
O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO	ZINC001335205566	917533979	/nfs/dbraw/zinc/53/39/79/917533979.db2.gz	VFPOQJIIVOSJQQ-STQMWFEESA-N	2	0	310.398	-1.620	20	0		DAADRP
C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC001335255452	917539504	/nfs/dbraw/zinc/53/95/04/917539504.db2.gz	MDZDBWQJVWNWRP-YNEHKIRRSA-N	2	0	312.414	-1.103	20	0		DAADRP
[NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1	ZINC001336134066	917570329	/nfs/dbraw/zinc/57/03/29/917570329.db2.gz	KQDWHFISKGDQJV-MELADBBJSA-N	2	0	324.425	-1.149	20	0		DAADRP
[NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1	ZINC001336134065	917570704	/nfs/dbraw/zinc/57/07/04/917570704.db2.gz	KQDWHFISKGDQJV-IHRRRGAJSA-N	2	0	324.425	-1.149	20	0		DAADRP
CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCC1([NH3+])CC1	ZINC001336633382	917598019	/nfs/dbraw/zinc/59/80/19/917598019.db2.gz	KQWWGQWWGZCCDQ-UHFFFAOYSA-N	2	0	311.430	-1.310	20	0		DAADRP
C[NH+]1CCN(CCNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1	ZINC001340241932	917733645	/nfs/dbraw/zinc/73/36/45/917733645.db2.gz	RWZQBGZHUHLLRF-CYBMUJFWSA-N	2	0	311.430	-1.453	20	0		DAADRP
C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC001340929833	917746152	/nfs/dbraw/zinc/74/61/52/917746152.db2.gz	LXKMVVLMTGALJX-QLFBSQMISA-N	2	0	307.442	-1.119	20	0		DAADRP
C[NH+]1CCN(CCCNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1	ZINC001341733723	917762814	/nfs/dbraw/zinc/76/28/14/917762814.db2.gz	RFYTWWPSVJCZRM-CYBMUJFWSA-N	2	0	323.441	-1.440	20	0		DAADRP
[NH3+]CCCCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC001345957982	917864899	/nfs/dbraw/zinc/86/48/99/917864899.db2.gz	FYQIMKTUIUGKCO-OLZOCXBDSA-N	2	0	312.414	-1.101	20	0		DAADRP
C[C@H]1C[C@@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@@H+]1C	ZINC001345911107	917865525	/nfs/dbraw/zinc/86/55/25/917865525.db2.gz	IDBLTGFWDZPHMR-STQMWFEESA-N	2	0	311.430	-1.393	20	0		DAADRP
C[C@@H]1C[C@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@@H+]1C	ZINC001345911104	917866572	/nfs/dbraw/zinc/86/65/72/917866572.db2.gz	IDBLTGFWDZPHMR-CHWSQXEVSA-N	2	0	311.430	-1.393	20	0		DAADRP
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCNCC[NH2+]CC1	ZINC001346286916	917880285	/nfs/dbraw/zinc/88/02/85/917880285.db2.gz	HDTCWTXOKLZBRG-CQSZACIVSA-N	2	0	312.462	-1.173	20	0		DAADRP
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCNCC[NH2+]CC1	ZINC001346286909	917880573	/nfs/dbraw/zinc/88/05/73/917880573.db2.gz	HDTCWTXOKLZBRG-AWEZNQCLSA-N	2	0	312.462	-1.173	20	0		DAADRP
C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+](C)CCOCCO	ZINC001348131933	917928639	/nfs/dbraw/zinc/92/86/39/917928639.db2.gz	MHLCWNSYOYMKIG-UONOGXRCSA-N	2	0	314.430	-1.568	20	0		DAADRP
C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1	ZINC001348319221	917937058	/nfs/dbraw/zinc/93/70/58/917937058.db2.gz	DNPURUYMBQLUSL-GFCCVEGCSA-N	2	0	313.446	-1.066	20	0		DAADRP
[NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CC[NH2+]CC1)C2=O	ZINC001349110785	917996039	/nfs/dbraw/zinc/99/60/39/917996039.db2.gz	GAJBYMXISWYUCE-IAQYHMDHSA-N	2	0	323.397	-1.142	20	0		DAADRP
[NH3+]C1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1	ZINC001352797686	918128942	/nfs/dbraw/zinc/12/89/42/918128942.db2.gz	LCYSQSNHVRSVPX-UONOGXRCSA-N	2	0	324.425	-1.006	20	0		DAADRP
[NH3+]CCNCC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC001354633273	918184736	/nfs/dbraw/zinc/18/47/36/918184736.db2.gz	ZOOLFCJZXMNTCZ-CQSZACIVSA-N	2	0	313.446	-1.553	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCN1CCC([NH3+])CC1	ZINC001356629851	918232746	/nfs/dbraw/zinc/23/27/46/918232746.db2.gz	SRCHHTXNFYTQLD-AWEZNQCLSA-N	2	0	312.462	-1.046	20	0		DAADRP
[NH3+]CCN1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1=O	ZINC001357946421	918308637	/nfs/dbraw/zinc/30/86/37/918308637.db2.gz	XRYUXRDSKMZGNE-STQMWFEESA-N	2	0	312.414	-1.243	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)N2CCNCC[NH2+]CC2)CC1=O	ZINC001358240955	918316765	/nfs/dbraw/zinc/31/67/65/918316765.db2.gz	ZRGOHPJYZBBERR-ZDUSSCGKSA-N	2	0	311.430	-1.582	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C2CC2)C1	ZINC001366075202	919276813	/nfs/dbraw/zinc/27/68/13/919276813.db2.gz	FWLXLCVMFIBBSP-MNOVXSKESA-N	2	0	311.386	-1.383	20	0		DAADRP
C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O	ZINC001366144553	919286394	/nfs/dbraw/zinc/28/63/94/919286394.db2.gz	ZHEFVWICAZJXID-CHWFTXMASA-N	2	0	311.386	-1.099	20	0		DAADRP
C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O	ZINC001366144558	919288081	/nfs/dbraw/zinc/28/80/81/919288081.db2.gz	ZHEFVWICAZJXID-UKKRHICBSA-N	2	0	311.386	-1.099	20	0		DAADRP
CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(=O)NC	ZINC001367140966	919437232	/nfs/dbraw/zinc/43/72/32/919437232.db2.gz	OAXMSAUCYTXNAQ-MNOVXSKESA-N	2	0	313.402	-1.122	20	0		DAADRP
CCn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001367583440	919495851	/nfs/dbraw/zinc/49/58/51/919495851.db2.gz	QILGTXLEMAPEDA-OLZOCXBDSA-N	2	0	310.402	-1.041	20	0		DAADRP
CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnnn1C)[NH+](C)C	ZINC001367588900	919501827	/nfs/dbraw/zinc/50/18/27/919501827.db2.gz	MJWRAZZBGHZPTA-STQMWFEESA-N	2	0	312.418	-1.032	20	0		DAADRP
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CC1	ZINC001367594837	919508475	/nfs/dbraw/zinc/50/84/75/919508475.db2.gz	SMKUZAQNIQYHKJ-CHWSQXEVSA-N	2	0	312.414	-1.184	20	0		DAADRP
C[NH+](C)CC1(C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)CC1	ZINC001367603386	919518209	/nfs/dbraw/zinc/51/82/09/919518209.db2.gz	RCNMTVKLRFQSGF-SECBINFHSA-N	2	0	315.374	-2.410	20	0		DAADRP
COC[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001367609348	919525492	/nfs/dbraw/zinc/52/54/92/919525492.db2.gz	RGVATNWVWQHZCK-UPJWGTAASA-N	2	0	303.403	-1.455	20	0		DAADRP
COC[C@H](O)C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001367614361	919528063	/nfs/dbraw/zinc/52/80/63/919528063.db2.gz	AFCXLCYQBSQRKU-NWDGAFQWSA-N	2	0	301.387	-1.844	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001367670101	919549631	/nfs/dbraw/zinc/54/96/31/919549631.db2.gz	GNGCQUFMBSSTAZ-GMTAPVOTSA-N	2	0	313.402	-1.124	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1	ZINC001367922965	919585588	/nfs/dbraw/zinc/58/55/88/919585588.db2.gz	KGDXSUYUFCSXFC-YPMHNXCESA-N	2	0	312.414	-1.076	20	0		DAADRP
C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(=O)NC(N)=O	ZINC001367994262	919599412	/nfs/dbraw/zinc/59/94/12/919599412.db2.gz	YXHJKYZZBCUZJJ-UWVGGRQHSA-N	2	0	311.386	-1.098	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2	ZINC001368130267	919618027	/nfs/dbraw/zinc/61/80/27/919618027.db2.gz	YLAVCGOLPPHTTM-NSHDSACASA-N	2	0	323.397	-1.142	20	0		DAADRP
C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@H]2C1	ZINC001368355458	919703558	/nfs/dbraw/zinc/70/35/58/919703558.db2.gz	KWDRHYWITDGGAK-PHIMTYICSA-N	2	0	311.386	-1.477	20	0		DAADRP
CC[C@@H](C(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O)[NH+](C)C	ZINC001368393506	919713972	/nfs/dbraw/zinc/71/39/72/919713972.db2.gz	FUIWEQTYILWSAW-NEPJUHHUSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[C@@H]([NH2+]CCN(CCO)C(=O)C[NH+]1CCCC1)C(=O)N(C)C	ZINC001368402804	919717780	/nfs/dbraw/zinc/71/77/80/919717780.db2.gz	ALDRDLXSHMETBM-CYBMUJFWSA-N	2	0	314.430	-1.031	20	0		DAADRP
CNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1	ZINC001368629082	919750157	/nfs/dbraw/zinc/75/01/57/919750157.db2.gz	LTOGLODYVQBPQJ-HNNXBMFYSA-N	2	0	312.414	-1.229	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1	ZINC001369176475	919827298	/nfs/dbraw/zinc/82/72/98/919827298.db2.gz	BYMJNZYBTULZCJ-AVGNSLFASA-N	2	0	312.414	-1.076	20	0		DAADRP
C[N@H+](CC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1)C1CCC1	ZINC001369326267	919862255	/nfs/dbraw/zinc/86/22/55/919862255.db2.gz	TXPOYHUKCDEFEM-GFCCVEGCSA-N	2	0	312.414	-1.230	20	0		DAADRP
O=C(C[NH2+][C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)N1CCC1	ZINC001369330674	919863798	/nfs/dbraw/zinc/86/37/98/919863798.db2.gz	XWANETHCAWKWRO-KBPBESRZSA-N	2	0	324.425	-1.373	20	0		DAADRP
Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)cc1=O	ZINC001369350008	919886569	/nfs/dbraw/zinc/88/65/69/919886569.db2.gz	QTFCIRCOFQFJFA-CYBMUJFWSA-N	2	0	310.398	-1.096	20	0		DAADRP
CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1	ZINC001369360509	919895457	/nfs/dbraw/zinc/89/54/57/919895457.db2.gz	IALPYPOYZCLNMX-YGRLFVJLSA-N	2	0	318.393	-1.249	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)C[N@H+](C)CC(C)(C)C	ZINC001369474278	919948071	/nfs/dbraw/zinc/94/80/71/919948071.db2.gz	JAGXCHDLTSVXPI-LLVKDONJSA-N	2	0	302.419	-1.142	20	0		DAADRP
C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1)C(N)=O	ZINC001369478674	919954945	/nfs/dbraw/zinc/95/49/45/919954945.db2.gz	AQOHCHBTQJJAHU-CMPLNLGQSA-N	2	0	300.403	-1.389	20	0		DAADRP
CC[N@H+](C)CCC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCNC1=O	ZINC001369481304	919956599	/nfs/dbraw/zinc/95/65/99/919956599.db2.gz	QBZGNUCFFKMVPO-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)CCC[NH+](C)C	ZINC001369483800	919956863	/nfs/dbraw/zinc/95/68/63/919956863.db2.gz	MGYKXMNFKDDXCN-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)C[NH+]1CCCC1	ZINC001369489217	919961480	/nfs/dbraw/zinc/96/14/80/919961480.db2.gz	YZLLSDZGIHAVCD-ZDUSSCGKSA-N	2	0	312.414	-1.230	20	0		DAADRP
CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)COC1CC[NH+](C)CC1	ZINC001369510848	919976790	/nfs/dbraw/zinc/97/67/90/919976790.db2.gz	BYCNEHWXPYOPCN-ZDUSSCGKSA-N	2	0	317.430	-1.159	20	0		DAADRP
CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O)[NH+](C)C	ZINC001371463078	920263503	/nfs/dbraw/zinc/26/35/03/920263503.db2.gz	VGJGIYLXKCCYNL-FRRDWIJNSA-N	2	0	314.430	-1.034	20	0		DAADRP
C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1	ZINC001371472245	920265158	/nfs/dbraw/zinc/26/51/58/920265158.db2.gz	SBDFHLOIJPWJAP-CHWSQXEVSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O	ZINC001371542306	920282572	/nfs/dbraw/zinc/28/25/72/920282572.db2.gz	YQHRIEPTHSOQMP-OLZOCXBDSA-N	2	0	312.414	-1.278	20	0		DAADRP
C[C@@H]([NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)NC(N)=O	ZINC001372942580	920438649	/nfs/dbraw/zinc/43/86/49/920438649.db2.gz	FXIHHHZLXAZILA-WDEREUQCSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC(=O)NC(N)=O	ZINC001374388448	920604852	/nfs/dbraw/zinc/60/48/52/920604852.db2.gz	UBXONKAARXNIOJ-QWRGUYRKSA-N	2	0	313.402	-1.040	20	0		DAADRP
COC[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001374639028	920666058	/nfs/dbraw/zinc/66/60/58/920666058.db2.gz	RGVATNWVWQHZCK-AGIUHOORSA-N	2	0	303.403	-1.455	20	0		DAADRP
CNC(=O)C[NH2+]C1(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1	ZINC001375546525	920782066	/nfs/dbraw/zinc/78/20/66/920782066.db2.gz	YPATVHWRFMCUEE-GFCCVEGCSA-N	2	0	312.414	-1.061	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(N)=O	ZINC001375751131	920806227	/nfs/dbraw/zinc/80/62/27/920806227.db2.gz	RWCMFHLRAWAOGE-MNOVXSKESA-N	2	0	311.386	-1.144	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1	ZINC001376370898	920928668	/nfs/dbraw/zinc/92/86/68/920928668.db2.gz	ZRGXSAWZDFBFID-DCAQKATOSA-N	2	0	311.386	-1.227	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001376546213	920976173	/nfs/dbraw/zinc/97/61/73/920976173.db2.gz	DKXPYQUIJCUJKW-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001376546206	920976247	/nfs/dbraw/zinc/97/62/47/920976247.db2.gz	DKXPYQUIJCUJKW-OLZOCXBDSA-N	2	0	314.430	-1.127	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CC[NH+](C)C	ZINC001376809042	921033274	/nfs/dbraw/zinc/03/32/74/921033274.db2.gz	KRPTVRYWMQJDNV-ZJUUUORDSA-N	2	0	301.391	-1.124	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C	ZINC001376809036	921035253	/nfs/dbraw/zinc/03/52/53/921035253.db2.gz	KRPTVRYWMQJDNV-UWVGGRQHSA-N	2	0	301.391	-1.124	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1	ZINC001376857012	921046022	/nfs/dbraw/zinc/04/60/22/921046022.db2.gz	CGUPYWXWTMDMAO-CHWSQXEVSA-N	2	0	312.414	-1.157	20	0		DAADRP
C[N@H+](CC(=O)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O)C1CCC1	ZINC001379206502	922070400	/nfs/dbraw/zinc/07/04/00/922070400.db2.gz	ODECZFPZFBALPQ-OLZOCXBDSA-N	2	0	312.414	-1.184	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)C1	ZINC001379241010	922094017	/nfs/dbraw/zinc/09/40/17/922094017.db2.gz	JNHXXRJKYAWZPB-NEPJUHHUSA-N	2	0	300.403	-1.517	20	0		DAADRP
C[NH+]1CCC(CC(=O)NC[C@H](O)C[NH2+][C@H]2CCNC2=O)CC1	ZINC001379258430	922100218	/nfs/dbraw/zinc/10/02/18/922100218.db2.gz	PKWHJQDJPIDRGT-OLZOCXBDSA-N	2	0	312.414	-1.327	20	0		DAADRP
O=C(C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)N1CCCC1	ZINC001379253457	922101898	/nfs/dbraw/zinc/10/18/98/922101898.db2.gz	ANZLWRJEFGKQSP-CYBMUJFWSA-N	2	0	324.425	-1.229	20	0		DAADRP
C[NH+]1CCC(CC(=O)NC[C@@H](O)C[NH2+][C@@H]2CCNC2=O)CC1	ZINC001379258431	922102215	/nfs/dbraw/zinc/10/22/15/922102215.db2.gz	PKWHJQDJPIDRGT-QWHCGFSZSA-N	2	0	312.414	-1.327	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001379259638	922105778	/nfs/dbraw/zinc/10/57/78/922105778.db2.gz	PZVLWNJUSGMKCT-GFCCVEGCSA-N	2	0	312.414	-1.327	20	0		DAADRP
CCCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001379397055	922153643	/nfs/dbraw/zinc/15/36/43/922153643.db2.gz	NDWJXZXLNKLFJM-FRRDWIJNSA-N	2	0	314.430	-1.081	20	0		DAADRP
C[NH+](C)C1(C(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CC2)CCC1	ZINC001379407714	922158125	/nfs/dbraw/zinc/15/81/25/922158125.db2.gz	CZAFHZPFFUHVDQ-GFCCVEGCSA-N	2	0	312.414	-1.184	20	0		DAADRP
CN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C2CCC2)C1=O	ZINC001379410963	922161426	/nfs/dbraw/zinc/16/14/26/922161426.db2.gz	MDOHYFKYXAQDNJ-YPMHNXCESA-N	2	0	312.414	-1.232	20	0		DAADRP
C[N@H+](CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O)C1CCC1	ZINC001379410084	922161593	/nfs/dbraw/zinc/16/15/93/922161593.db2.gz	KADCQCFNQSCIJG-AAEUAGOBSA-N	2	0	312.414	-1.184	20	0		DAADRP
C[N@H+](CC(=O)NC[C@H](CO)[NH2+][C@H]1CCCNC1=O)C1CCC1	ZINC001379410091	922162411	/nfs/dbraw/zinc/16/24/11/922162411.db2.gz	KADCQCFNQSCIJG-YPMHNXCESA-N	2	0	312.414	-1.184	20	0		DAADRP
O=C(NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O)C12CCC[NH+]1CCC2	ZINC001379433626	922175526	/nfs/dbraw/zinc/17/55/26/922175526.db2.gz	LCAQJEBGCSBLJM-QWHCGFSZSA-N	2	0	324.425	-1.040	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]CCn2cncn2)C1	ZINC001379473863	922192376	/nfs/dbraw/zinc/19/23/76/922192376.db2.gz	COYHCVCNWJUPRL-CHWSQXEVSA-N	2	0	310.402	-1.313	20	0		DAADRP
COC[C@H](O)C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1	ZINC001379472645	922193345	/nfs/dbraw/zinc/19/33/45/922193345.db2.gz	YBLLPDHKBKLSBU-QWHCGFSZSA-N	2	0	303.403	-1.598	20	0		DAADRP
CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001379526718	922218289	/nfs/dbraw/zinc/21/82/89/922218289.db2.gz	KNWKIPWQZZJSCW-VXGBXAGGSA-N	2	0	300.403	-1.471	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C	ZINC001379550995	922224701	/nfs/dbraw/zinc/22/47/01/922224701.db2.gz	MQMWSLPLKQEDIQ-UWVGGRQHSA-N	2	0	301.391	-1.124	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C	ZINC001379550121	922225146	/nfs/dbraw/zinc/22/51/46/922225146.db2.gz	IKUFOUJSQNPFEQ-WDEREUQCSA-N	2	0	313.402	-1.027	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001379583890	922229654	/nfs/dbraw/zinc/22/96/54/922229654.db2.gz	WDUWJYSAIIHPRZ-WDEREUQCSA-N	2	0	313.402	-1.122	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001379763483	922250524	/nfs/dbraw/zinc/25/05/24/922250524.db2.gz	WFFDHNNTXZXJLY-NXEZZACHSA-N	2	0	315.374	-2.316	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001379763487	922252740	/nfs/dbraw/zinc/25/27/40/922252740.db2.gz	WFFDHNNTXZXJLY-VHSXEESVSA-N	2	0	315.374	-2.316	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1	ZINC001379791073	922264449	/nfs/dbraw/zinc/26/44/49/922264449.db2.gz	QJICYVIEKUQFMD-LLVKDONJSA-N	2	0	300.403	-1.374	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)C12CCC[NH+](CCC1)C2	ZINC001379803114	922266468	/nfs/dbraw/zinc/26/64/68/922266468.db2.gz	NMPAADCGYLGCKF-LBPRGKRZSA-N	2	0	312.414	-1.243	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001379820440	922272788	/nfs/dbraw/zinc/27/27/88/922272788.db2.gz	FUJZLTNEDXOSCY-QWHCGFSZSA-N	2	0	314.430	-1.032	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001379818452	922274242	/nfs/dbraw/zinc/27/42/42/922274242.db2.gz	ACKYNTJODRLENO-CHWSQXEVSA-N	2	0	312.414	-1.278	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1	ZINC001379855644	922278670	/nfs/dbraw/zinc/27/86/70/922278670.db2.gz	CPQCOYXIUKHEKI-LBPRGKRZSA-N	2	0	300.403	-1.373	20	0		DAADRP
CCN1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)C1	ZINC001379861789	922283513	/nfs/dbraw/zinc/28/35/13/922283513.db2.gz	GWFRFJBICPUALM-WDEREUQCSA-N	2	0	302.375	-2.399	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C2CC2)C1	ZINC001379943407	922299395	/nfs/dbraw/zinc/29/93/95/922299395.db2.gz	YDUGYFJYHLLWGW-GHMZBOCLSA-N	2	0	311.386	-1.383	20	0		DAADRP
C[NH+]1CCC(C(=O)NCC2([NH2+]CC(=O)NC(N)=O)CC2)CC1	ZINC001380135053	922334481	/nfs/dbraw/zinc/33/44/81/922334481.db2.gz	KDHRMDOMPKTQAW-UHFFFAOYSA-N	2	0	311.386	-1.239	20	0		DAADRP
CC[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001380566110	922393605	/nfs/dbraw/zinc/39/36/05/922393605.db2.gz	PGMIITBIRSYSOL-MLGOLLRUSA-N	2	0	324.425	-1.101	20	0		DAADRP
CN1CC[C@H]([NH2+]CCN(CCO)C(=O)[C@H]2CCC[N@@H+]2C)C1=O	ZINC001380761814	922451467	/nfs/dbraw/zinc/45/14/67/922451467.db2.gz	HJYDXXOABVQYGQ-QWHCGFSZSA-N	2	0	312.414	-1.278	20	0		DAADRP
C[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O	ZINC001380763372	922451819	/nfs/dbraw/zinc/45/18/19/922451819.db2.gz	IIIRSISDGDLRQD-AAEUAGOBSA-N	2	0	312.414	-1.388	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+][C@@H]2CCCNC2=O)C1	ZINC001380774428	922458658	/nfs/dbraw/zinc/45/86/58/922458658.db2.gz	PKQOCYARZOYMTH-CHWSQXEVSA-N	2	0	312.414	-1.373	20	0		DAADRP
CC(C)[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1)[NH+](C)C	ZINC001380913072	922474247	/nfs/dbraw/zinc/47/42/47/922474247.db2.gz	NYYVRHYBDPQSOF-AAEUAGOBSA-N	2	0	300.403	-1.125	20	0		DAADRP
C[N@H+](CC(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1)C1CCC1	ZINC001381039387	922493199	/nfs/dbraw/zinc/49/31/99/922493199.db2.gz	AWEVCKGYGLDWMP-OAHLLOKOSA-N	2	0	312.414	-1.101	20	0		DAADRP
CNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1	ZINC001381039507	922493751	/nfs/dbraw/zinc/49/37/51/922493751.db2.gz	BDXIGOOJDLGXDB-IUODEOHRSA-N	2	0	312.414	-1.230	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1	ZINC001381042903	922494393	/nfs/dbraw/zinc/49/43/93/922494393.db2.gz	ITPSDDFARUXPIN-SWLSCSKDSA-N	2	0	312.414	-1.101	20	0		DAADRP
CNC(=O)C[NH2+]CC1(O)CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC001381166948	922508110	/nfs/dbraw/zinc/50/81/10/922508110.db2.gz	IYNQCGNFEKCUBQ-UHFFFAOYSA-N	2	0	312.414	-1.229	20	0		DAADRP
CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1)[NH+](C)C	ZINC001382218923	922625096	/nfs/dbraw/zinc/62/50/96/922625096.db2.gz	UXJBVHUSHSRRIF-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C1CCC1	ZINC001382216235	922625408	/nfs/dbraw/zinc/62/54/08/922625408.db2.gz	RMTSXGSRSUKQJA-GHMZBOCLSA-N	2	0	300.403	-1.328	20	0		DAADRP
CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC)C1	ZINC001382238602	922634161	/nfs/dbraw/zinc/63/41/61/922634161.db2.gz	OCWFQKHQTIIIAO-STQMWFEESA-N	2	0	314.430	-1.079	20	0		DAADRP
CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC)C1	ZINC001382238594	922635822	/nfs/dbraw/zinc/63/58/22/922635822.db2.gz	OCWFQKHQTIIIAO-QWHCGFSZSA-N	2	0	314.430	-1.079	20	0		DAADRP
CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001382266704	922650858	/nfs/dbraw/zinc/65/08/58/922650858.db2.gz	MGOODYQIENMHPF-OLZOCXBDSA-N	2	0	314.430	-1.127	20	0		DAADRP
CN(C(=O)C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)C1CC1	ZINC001382263064	922652361	/nfs/dbraw/zinc/65/23/61/922652361.db2.gz	DHEHPHCCVTYSGA-GFCCVEGCSA-N	2	0	324.425	-1.230	20	0		DAADRP
CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1	ZINC001382269727	922656442	/nfs/dbraw/zinc/65/64/42/922656442.db2.gz	ASLYEADLYJGWIR-LBPRGKRZSA-N	2	0	300.403	-1.373	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(C)(C)C)C1	ZINC001382273623	922658562	/nfs/dbraw/zinc/65/85/62/922658562.db2.gz	LRXSJPFGTPOAAU-RYUDHWBXSA-N	2	0	314.430	-1.081	20	0		DAADRP
CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001382275442	922662784	/nfs/dbraw/zinc/66/27/84/922662784.db2.gz	SYTOIRGZQWQVFP-NWDGAFQWSA-N	2	0	300.403	-1.517	20	0		DAADRP
CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC)CC[N@@H+]1C	ZINC001382404190	922727357	/nfs/dbraw/zinc/72/73/57/922727357.db2.gz	ZWTCQGQPHLZSMG-RWMBFGLXSA-N	2	0	314.430	-1.128	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)C1CC[NH+](C)CC1	ZINC001382414403	922734817	/nfs/dbraw/zinc/73/48/17/922734817.db2.gz	OMURVKCIIVAEFB-OLZOCXBDSA-N	2	0	312.414	-1.374	20	0		DAADRP
CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001382433665	922749611	/nfs/dbraw/zinc/74/96/11/922749611.db2.gz	LKBKFFOTESUWTO-VHSXEESVSA-N	2	0	317.390	-2.070	20	0		DAADRP
CC[NH+](CC)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001382438090	922750838	/nfs/dbraw/zinc/75/08/38/922750838.db2.gz	DDCFSJNRWPFRHK-QWHCGFSZSA-N	2	0	314.430	-1.127	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]Cc1cnnn1C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001382444908	922759224	/nfs/dbraw/zinc/75/92/24/922759224.db2.gz	POGFGDJYENUZOE-YPMHNXCESA-N	2	0	310.402	-1.324	20	0		DAADRP
CC[C@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O)[NH+](C)C	ZINC001384237428	923072337	/nfs/dbraw/zinc/07/23/37/923072337.db2.gz	VGJGIYLXKCCYNL-UPJWGTAASA-N	2	0	314.430	-1.034	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1	ZINC001389970096	923704660	/nfs/dbraw/zinc/70/46/60/923704660.db2.gz	ZRGXSAWZDFBFID-AXFHLTTASA-N	2	0	311.386	-1.227	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C	ZINC001390464981	923748108	/nfs/dbraw/zinc/74/81/08/923748108.db2.gz	FFNZWWOWTVORAS-SNVBAGLBSA-N	2	0	301.391	-1.122	20	0		DAADRP
CNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC001390567104	923758164	/nfs/dbraw/zinc/75/81/64/923758164.db2.gz	PQXVDTSRPDPICR-ZDUSSCGKSA-N	2	0	322.413	-1.005	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001391217901	923820211	/nfs/dbraw/zinc/82/02/11/923820211.db2.gz	GKPUCTVUCWDAFW-WDEREUQCSA-N	2	0	313.402	-1.170	20	0		DAADRP
C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001392100509	923935504	/nfs/dbraw/zinc/93/55/04/923935504.db2.gz	NIBSPVHQXQJNKU-MNOVXSKESA-N	2	0	313.402	-1.040	20	0		DAADRP
CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O	ZINC001392135289	923941614	/nfs/dbraw/zinc/94/16/14/923941614.db2.gz	SDKXNTHZQOTOFW-SNVBAGLBSA-N	2	0	301.391	-1.040	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001392367316	923980334	/nfs/dbraw/zinc/98/03/34/923980334.db2.gz	RSTHCUFUNXFMTN-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
O=C(C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2)N1CCC1	ZINC001392374416	923987056	/nfs/dbraw/zinc/98/70/56/923987056.db2.gz	KBAXTHJKPKXBLG-KBPBESRZSA-N	2	0	324.425	-1.373	20	0		DAADRP
O=C(C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2)N1CCC1	ZINC001392374417	923987087	/nfs/dbraw/zinc/98/70/87/923987087.db2.gz	KBAXTHJKPKXBLG-KGLIPLIRSA-N	2	0	324.425	-1.373	20	0		DAADRP
CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C2CCC2)C1=O	ZINC001392376826	923989103	/nfs/dbraw/zinc/98/91/03/923989103.db2.gz	RADHILNUVROJCT-CHWSQXEVSA-N	2	0	312.414	-1.232	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCOCC1	ZINC001392394175	924005258	/nfs/dbraw/zinc/00/52/58/924005258.db2.gz	OMBXWTQONBILAB-LBPRGKRZSA-N	2	0	316.402	-2.136	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001392394284	924007228	/nfs/dbraw/zinc/00/72/28/924007228.db2.gz	PCNANZJGAIZABC-AVGNSLFASA-N	2	0	314.430	-1.081	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001392427014	924026563	/nfs/dbraw/zinc/02/65/63/924026563.db2.gz	SLRLKXQNPOQSJZ-OLZOCXBDSA-N	2	0	314.430	-1.081	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1	ZINC001392589381	924052926	/nfs/dbraw/zinc/05/29/26/924052926.db2.gz	BUHICVAYNPHQLP-JTQLQIEISA-N	2	0	313.402	-1.122	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C1CC1	ZINC001392766202	924075322	/nfs/dbraw/zinc/07/53/22/924075322.db2.gz	INMSZMRLSYOFBA-GHMZBOCLSA-N	2	0	311.386	-1.240	20	0		DAADRP
CCN1CCO[C@@H](C(=O)NCC2([NH2+]C[C@@H](O)COC)CC2)C1	ZINC001392965243	924101981	/nfs/dbraw/zinc/10/19/81/924101981.db2.gz	WPBOJVABLHFIMQ-CHWSQXEVSA-N	2	0	315.414	-1.047	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCCNC2=O)C1	ZINC001393271907	924144063	/nfs/dbraw/zinc/14/40/63/924144063.db2.gz	HOOCNMXVGLADER-WFASDCNBSA-N	2	0	312.414	-1.230	20	0		DAADRP
C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1	ZINC001393278207	924147663	/nfs/dbraw/zinc/14/76/63/924147663.db2.gz	RDXUFEOONIOPPU-WFASDCNBSA-N	2	0	314.430	-1.032	20	0		DAADRP
CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001393277031	924149073	/nfs/dbraw/zinc/14/90/73/924149073.db2.gz	AFKHGTNAVILBRV-WBMJQRKESA-N	2	0	324.425	-1.230	20	0		DAADRP
C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1	ZINC001393278192	924149957	/nfs/dbraw/zinc/14/99/57/924149957.db2.gz	RDXUFEOONIOPPU-IUODEOHRSA-N	2	0	314.430	-1.032	20	0		DAADRP
COC[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C1	ZINC001393283878	924154951	/nfs/dbraw/zinc/15/49/51/924154951.db2.gz	TVVYMRJYOUBZHY-DZGCQCFKSA-N	2	0	317.430	-1.113	20	0		DAADRP
COC[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C1	ZINC001393283881	924156892	/nfs/dbraw/zinc/15/68/92/924156892.db2.gz	TVVYMRJYOUBZHY-HIFRSBDPSA-N	2	0	317.430	-1.113	20	0		DAADRP
COC[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C1	ZINC001393283885	924157192	/nfs/dbraw/zinc/15/71/92/924157192.db2.gz	TVVYMRJYOUBZHY-ZFWWWQNUSA-N	2	0	317.430	-1.113	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001393453521	924206952	/nfs/dbraw/zinc/20/69/52/924206952.db2.gz	HGSSFLBZSLUQFW-JHJVBQTASA-N	2	0	314.430	-1.128	20	0		DAADRP
COC[C@H](O)C[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1	ZINC001393457127	924209470	/nfs/dbraw/zinc/20/94/70/924209470.db2.gz	VJQOLCROEYIUGJ-UKRRQHHQSA-N	2	0	317.430	-1.112	20	0		DAADRP
C[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)N(C)C	ZINC001393458044	924211221	/nfs/dbraw/zinc/21/12/21/924211221.db2.gz	FFZWYDMHJPNJET-QWHCGFSZSA-N	2	0	314.430	-1.032	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001393469722	924213407	/nfs/dbraw/zinc/21/34/07/924213407.db2.gz	ZPAWESRNMUBPNA-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
CN1CC[C@H]([NH2+]CCN(CCO)C(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001393466630	924215328	/nfs/dbraw/zinc/21/53/28/924215328.db2.gz	DCHUKKWAERWVAI-ZDUSSCGKSA-N	2	0	324.425	-1.277	20	0		DAADRP
NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1	ZINC001393575469	924226758	/nfs/dbraw/zinc/22/67/58/924226758.db2.gz	DCQDRIKINCFHPA-STQMWFEESA-N	2	0	310.398	-1.370	20	0		DAADRP
COC[C@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1	ZINC001393687552	924241568	/nfs/dbraw/zinc/24/15/68/924241568.db2.gz	BSWCTOTZNIFRAN-HIFRSBDPSA-N	2	0	317.430	-1.112	20	0		DAADRP
COC[C@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1	ZINC001393687554	924242934	/nfs/dbraw/zinc/24/29/34/924242934.db2.gz	BSWCTOTZNIFRAN-UKRRQHHQSA-N	2	0	317.430	-1.112	20	0		DAADRP
CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001394533797	924307130	/nfs/dbraw/zinc/30/71/30/924307130.db2.gz	BEFGFPHBMZGRDC-VHSXEESVSA-N	2	0	301.391	-1.042	20	0		DAADRP
CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1	ZINC001394625655	924344453	/nfs/dbraw/zinc/34/44/53/924344453.db2.gz	ZXAWDWFYDQHSFZ-ZDUSSCGKSA-N	2	0	314.430	-1.081	20	0		DAADRP
CS(=O)(=O)CC[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2	ZINC001394646047	924353830	/nfs/dbraw/zinc/35/38/30/924353830.db2.gz	AIIYMOUKPNQNRI-LLVKDONJSA-N	2	0	319.427	-1.807	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O)C1	ZINC001394657049	924356902	/nfs/dbraw/zinc/35/69/02/924356902.db2.gz	NWSUNOLHEQQNQN-QWRGUYRKSA-N	2	0	307.416	-1.951	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCS(C)(=O)=O)C1	ZINC001394657047	924357519	/nfs/dbraw/zinc/35/75/19/924357519.db2.gz	NWSUNOLHEQQNQN-GHMZBOCLSA-N	2	0	307.416	-1.951	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001394733504	924367578	/nfs/dbraw/zinc/36/75/78/924367578.db2.gz	VISGSIVGKZIQMD-NWDGAFQWSA-N	2	0	300.403	-1.422	20	0		DAADRP
C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1)C(N)=O	ZINC001394745524	924373296	/nfs/dbraw/zinc/37/32/96/924373296.db2.gz	WWLIPIZKGJESHU-GHMZBOCLSA-N	2	0	300.403	-1.247	20	0		DAADRP
C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1)C(N)=O	ZINC001394745532	924374348	/nfs/dbraw/zinc/37/43/48/924374348.db2.gz	WWLIPIZKGJESHU-WDEREUQCSA-N	2	0	300.403	-1.247	20	0		DAADRP
CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCC1)[NH+](C)C	ZINC001394749158	924375694	/nfs/dbraw/zinc/37/56/94/924375694.db2.gz	BOAOTABOFJAYPM-STQMWFEESA-N	2	0	314.430	-1.032	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O	ZINC001394752335	924375794	/nfs/dbraw/zinc/37/57/94/924375794.db2.gz	CFFWYWMCSCLWDD-RYUDHWBXSA-N	2	0	316.402	-2.151	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O	ZINC001394752334	924375878	/nfs/dbraw/zinc/37/58/78/924375878.db2.gz	CFFWYWMCSCLWDD-NWDGAFQWSA-N	2	0	316.402	-2.151	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C	ZINC001394755418	924377714	/nfs/dbraw/zinc/37/77/14/924377714.db2.gz	CTFAYAFWXSIXKU-AAEUAGOBSA-N	2	0	302.419	-1.273	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1	ZINC001394760192	924380174	/nfs/dbraw/zinc/38/01/74/924380174.db2.gz	TWGGCYQUEPSVMC-CYBMUJFWSA-N	2	0	314.430	-1.127	20	0		DAADRP
CN(C[C@H](O)C[N@H+](C)[C@H]1CCNC1=O)C(=O)C[NH+]1CCCC1	ZINC001394796420	924393980	/nfs/dbraw/zinc/39/39/80/924393980.db2.gz	ZADBKDSNLHRSAL-OLZOCXBDSA-N	2	0	312.414	-1.278	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)C23CC[NH+](CC2)C3)C1	ZINC001395733992	924454004	/nfs/dbraw/zinc/45/40/04/924454004.db2.gz	DMPSADHQWZRPQG-QWHCGFSZSA-N	2	0	324.425	-1.373	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)C23CC[NH+](CC2)C3)C1	ZINC001395733980	924455000	/nfs/dbraw/zinc/45/50/00/924455000.db2.gz	DMPSADHQWZRPQG-CHWSQXEVSA-N	2	0	324.425	-1.373	20	0		DAADRP
CC[NH+](CC)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001395737753	924456769	/nfs/dbraw/zinc/45/67/69/924456769.db2.gz	QBJYYRWYLAIWQM-OLZOCXBDSA-N	2	0	314.430	-1.127	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O	ZINC001396428594	924523608	/nfs/dbraw/zinc/52/36/08/924523608.db2.gz	CFIYRSJQKRGRTK-OLZOCXBDSA-N	2	0	314.430	-1.034	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001397100530	924556589	/nfs/dbraw/zinc/55/65/89/924556589.db2.gz	RVNFXEPHJYNCET-MXWKQRLJSA-N	2	0	311.386	-1.383	20	0		DAADRP
CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C	ZINC001398526572	924645956	/nfs/dbraw/zinc/64/59/56/924645956.db2.gz	ALTCAOPAGFISPE-QWRGUYRKSA-N	2	0	313.402	-1.027	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC001398561399	924649982	/nfs/dbraw/zinc/64/99/82/924649982.db2.gz	FEJMYNUPSSMMMY-MGCOHNPYSA-N	2	0	309.370	-1.486	20	0		DAADRP
C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O	ZINC001398578303	924653050	/nfs/dbraw/zinc/65/30/50/924653050.db2.gz	XQHMMOBLAABKJB-GMTAPVOTSA-N	2	0	323.397	-1.098	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001401262480	924853605	/nfs/dbraw/zinc/85/36/05/924853605.db2.gz	SJBJMMVDNUOCSM-WDEREUQCSA-N	2	0	313.402	-1.170	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001401262477	924853785	/nfs/dbraw/zinc/85/37/85/924853785.db2.gz	SJBJMMVDNUOCSM-GHMZBOCLSA-N	2	0	313.402	-1.170	20	0		DAADRP
O=C(NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C12CCC[NH+]1CCC2	ZINC001401548126	924883787	/nfs/dbraw/zinc/88/37/87/924883787.db2.gz	ANFMJZIBYJQUIC-NWDGAFQWSA-N	2	0	310.398	-1.430	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)CC1CC[NH+](C)CC1	ZINC001401552653	924886969	/nfs/dbraw/zinc/88/69/69/924886969.db2.gz	CMWPJHBZYVSPNM-ZDUSSCGKSA-N	2	0	314.430	-1.079	20	0		DAADRP
C[NH+](C)CC1(C(=O)NC[C@H](O)C[NH2+][C@@H]2CCCNC2=O)CC1	ZINC001401559604	924891099	/nfs/dbraw/zinc/89/10/99/924891099.db2.gz	DBKIPZRQSQGDOT-VXGBXAGGSA-N	2	0	312.414	-1.327	20	0		DAADRP
CC(C)[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)[NH+](C)C	ZINC001401563489	924892108	/nfs/dbraw/zinc/89/21/08/924892108.db2.gz	IIZNOMZOSXNCDI-DGCLKSJQSA-N	2	0	302.419	-1.273	20	0		DAADRP
CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1	ZINC001401563088	924893367	/nfs/dbraw/zinc/89/33/67/924893367.db2.gz	VMHHJXMEZIUNOL-HZMBPMFUSA-N	2	0	318.393	-1.249	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001401562060	924893464	/nfs/dbraw/zinc/89/34/64/924893464.db2.gz	TZWZQGIFXUHRIG-QWHCGFSZSA-N	2	0	314.430	-1.081	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+]1CCC2	ZINC001401575200	924899021	/nfs/dbraw/zinc/89/90/21/924899021.db2.gz	WVGXKLCSISMBTE-NEPJUHHUSA-N	2	0	312.414	-1.184	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O	ZINC001401591941	924904155	/nfs/dbraw/zinc/90/41/55/924904155.db2.gz	VXMVXSLCHYUBHU-RYUDHWBXSA-N	2	0	300.403	-1.328	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1	ZINC001401857335	924924262	/nfs/dbraw/zinc/92/42/62/924924262.db2.gz	AZWCCBFFRQZQKV-LLVKDONJSA-N	2	0	323.397	-1.239	20	0		DAADRP
CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CCN(CC(N)=O)C1	ZINC001402309056	924970506	/nfs/dbraw/zinc/97/05/06/924970506.db2.gz	HWYBEHMEHXOUQW-IUODEOHRSA-N	2	0	312.414	-1.101	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C1CC1	ZINC001402332868	924977916	/nfs/dbraw/zinc/97/79/16/924977916.db2.gz	COUYPYRXWYQPPG-NSHDSACASA-N	2	0	313.402	-1.122	20	0		DAADRP
C[NH+](C)CCC(=O)N1CCO[C@@H](C[NH2+]CC(=O)N2CCC2)C1	ZINC001402590075	925013641	/nfs/dbraw/zinc/01/36/41/925013641.db2.gz	DEHOOHAMCFASJJ-ZDUSSCGKSA-N	2	0	312.414	-1.013	20	0		DAADRP
C[NH+](C)CCC(=O)N1CCO[C@H](C[NH2+]CC(=O)N2CCC2)C1	ZINC001402590071	925013659	/nfs/dbraw/zinc/01/36/59/925013659.db2.gz	DEHOOHAMCFASJJ-CYBMUJFWSA-N	2	0	312.414	-1.013	20	0		DAADRP
C[C@H]([NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C(N)=O	ZINC001402791221	925028711	/nfs/dbraw/zinc/02/87/11/925028711.db2.gz	ATLSLJVHJBKILI-NWDGAFQWSA-N	2	0	312.414	-1.103	20	0		DAADRP
C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC(N)=O	ZINC001402769396	925030088	/nfs/dbraw/zinc/03/00/88/925030088.db2.gz	BZJNLWLTBRBWHY-WDEREUQCSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[C@H]([NH2+]CC1(O)CCN(C(=O)CC[NH+](C)C)CC1)C(N)=O	ZINC001402787978	925030128	/nfs/dbraw/zinc/03/01/28/925030128.db2.gz	DPOWRUXSRHOZIG-NSHDSACASA-N	2	0	300.403	-1.245	20	0		DAADRP
C[N@H+](CC(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1)C1CCC1	ZINC001402808131	925031715	/nfs/dbraw/zinc/03/17/15/925031715.db2.gz	ODCLZQGSLANLDH-UHFFFAOYSA-N	2	0	312.414	-1.101	20	0		DAADRP
C[C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+]CC(N)=O	ZINC001402910172	925040647	/nfs/dbraw/zinc/04/06/47/925040647.db2.gz	CMFLMHOSJBPTDS-LLVKDONJSA-N	2	0	300.403	-1.076	20	0		DAADRP
C[NH+](C)C1(C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CCC1	ZINC001403181523	925059054	/nfs/dbraw/zinc/05/90/54/925059054.db2.gz	QDUFYNCERODPPV-JTQLQIEISA-N	2	0	311.386	-1.144	20	0		DAADRP
C[C@@H](CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CC(N)=O	ZINC001403462942	925078258	/nfs/dbraw/zinc/07/82/58/925078258.db2.gz	GJRAZTIEAQUGHD-RYUDHWBXSA-N	2	0	300.403	-1.076	20	0		DAADRP
CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)CCNS(C)(=O)=O	ZINC001403508246	925081827	/nfs/dbraw/zinc/08/18/27/925081827.db2.gz	RACVTUJVBBXLMZ-NSHDSACASA-N	2	0	306.432	-1.322	20	0		DAADRP
CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)C1=O	ZINC001403705651	925122122	/nfs/dbraw/zinc/12/21/22/925122122.db2.gz	UEFMTURIZRYWKY-RYUDHWBXSA-N	2	0	300.403	-1.374	20	0		DAADRP
CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1	ZINC001403714058	925126598	/nfs/dbraw/zinc/12/65/98/925126598.db2.gz	VNWWAGZOBISVLD-NSHDSACASA-N	2	0	300.403	-1.517	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O)C1	ZINC001403723892	925130055	/nfs/dbraw/zinc/13/00/55/925130055.db2.gz	JNIKZLCYUBDKOI-VHSXEESVSA-N	2	0	315.374	-2.410	20	0		DAADRP
CN1CCC[C@@H]([NH2+][C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001403724339	925130684	/nfs/dbraw/zinc/13/06/84/925130684.db2.gz	MCJCETDXLBIRDT-CHWSQXEVSA-N	2	0	324.425	-1.230	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O)C1	ZINC001403723894	925131081	/nfs/dbraw/zinc/13/10/81/925131081.db2.gz	JNIKZLCYUBDKOI-ZJUUUORDSA-N	2	0	315.374	-2.410	20	0		DAADRP
CN1CCC[C@@H]([NH2+][C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001403725483	925131108	/nfs/dbraw/zinc/13/11/08/925131108.db2.gz	MCJCETDXLBIRDT-QWHCGFSZSA-N	2	0	324.425	-1.230	20	0		DAADRP
CN1CCC[C@H]([NH2+][C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001403724341	925131421	/nfs/dbraw/zinc/13/14/21/925131421.db2.gz	MCJCETDXLBIRDT-OLZOCXBDSA-N	2	0	324.425	-1.230	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]CCN1CCNC1=O	ZINC001403741214	925135493	/nfs/dbraw/zinc/13/54/93/925135493.db2.gz	ILWWZUXBQDXETC-GFCCVEGCSA-N	2	0	313.402	-1.826	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCCC2)C1	ZINC001403751503	925136693	/nfs/dbraw/zinc/13/66/93/925136693.db2.gz	QVYOAYUVSPTTMM-OLZOCXBDSA-N	2	0	312.414	-1.373	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2	ZINC001403875103	925159619	/nfs/dbraw/zinc/15/96/19/925159619.db2.gz	FFMOORGYOVQJHY-VXGBXAGGSA-N	2	0	312.414	-1.374	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C	ZINC001403883843	925162188	/nfs/dbraw/zinc/16/21/88/925162188.db2.gz	PLVBSZBLEAACLS-LBPRGKRZSA-N	2	0	302.419	-1.176	20	0		DAADRP
CN(C[C@H](O)C[N@H+](C)[C@H]1CCNC1=O)C(=O)CC[NH+](C)C	ZINC001403891257	925163707	/nfs/dbraw/zinc/16/37/07/925163707.db2.gz	BVBXGMDQQDTCGQ-NEPJUHHUSA-N	2	0	300.403	-1.422	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001403886553	925165008	/nfs/dbraw/zinc/16/50/08/925165008.db2.gz	UOWAQIXQAPLGFW-NWDGAFQWSA-N	2	0	310.398	-1.620	20	0		DAADRP
CC[N@H+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[NH+](C)C1	ZINC001405291979	925280043	/nfs/dbraw/zinc/28/00/43/925280043.db2.gz	WMNKDLAUBTYIPI-CHWSQXEVSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001405334718	925289619	/nfs/dbraw/zinc/28/96/19/925289619.db2.gz	LMPIMIFNNNZOIH-CHWSQXEVSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[NH+](C)C1(C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)CCC1	ZINC001406241924	925371827	/nfs/dbraw/zinc/37/18/27/925371827.db2.gz	OGJOYEBTAHAKLR-LBPRGKRZSA-N	2	0	312.414	-1.230	20	0		DAADRP
CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC	ZINC001406252559	925376265	/nfs/dbraw/zinc/37/62/65/925376265.db2.gz	XUCRRZPMUVPQFB-VXGBXAGGSA-N	2	0	300.403	-1.327	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001406254657	925378688	/nfs/dbraw/zinc/37/86/88/925378688.db2.gz	KLUBKPBVOCTGDS-NWDGAFQWSA-N	2	0	300.403	-1.328	20	0		DAADRP
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O	ZINC001406254112	925379870	/nfs/dbraw/zinc/37/98/70/925379870.db2.gz	MTPBUGGENQRIQU-VXGBXAGGSA-N	2	0	300.403	-1.341	20	0		DAADRP
CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1)C(N)=O	ZINC001406258694	925381410	/nfs/dbraw/zinc/38/14/10/925381410.db2.gz	NHWSZAZXEMBBFT-NEPJUHHUSA-N	2	0	300.403	-1.341	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1	ZINC001406257330	925381823	/nfs/dbraw/zinc/38/18/23/925381823.db2.gz	JNRFOKWBEKWDTB-QWHCGFSZSA-N	2	0	314.430	-1.079	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1	ZINC001406262812	925383034	/nfs/dbraw/zinc/38/30/34/925383034.db2.gz	XOOHTIWRGUZDBW-GFCCVEGCSA-N	2	0	300.403	-1.469	20	0		DAADRP
CN1CCC[C@@H]([NH2+]C[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001406276925	925389649	/nfs/dbraw/zinc/38/96/49/925389649.db2.gz	IECWODAIMJPWEV-QWHCGFSZSA-N	2	0	324.425	-1.230	20	0		DAADRP
CC(C)N(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001406284177	925395564	/nfs/dbraw/zinc/39/55/64/925395564.db2.gz	JXZQMMNUQONPGP-STQMWFEESA-N	2	0	314.430	-1.128	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001406399563	925413559	/nfs/dbraw/zinc/41/35/59/925413559.db2.gz	LPJMQHACXILUGQ-WDEREUQCSA-N	2	0	313.402	-1.122	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C	ZINC001406406065	925413569	/nfs/dbraw/zinc/41/35/69/925413569.db2.gz	MQMWSLPLKQEDIQ-NXEZZACHSA-N	2	0	301.391	-1.124	20	0		DAADRP
C[C@H]([NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1)C(=O)NC(N)=O	ZINC001406992855	925446660	/nfs/dbraw/zinc/44/66/60/925446660.db2.gz	YLERIYRCYSLCBH-JTQLQIEISA-N	2	0	323.397	-1.096	20	0		DAADRP
NC(=O)C[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1	ZINC001407850681	925530234	/nfs/dbraw/zinc/53/02/34/925530234.db2.gz	DVLMMSYBSXPBOA-LBPRGKRZSA-N	2	0	310.398	-1.083	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001410129009	925690773	/nfs/dbraw/zinc/69/07/73/925690773.db2.gz	LWPDMGLYKLRWAK-NWDGAFQWSA-N	2	0	300.403	-1.517	20	0		DAADRP
CC(C)[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1)[NH+](C)C	ZINC001410676222	925755215	/nfs/dbraw/zinc/75/52/15/925755215.db2.gz	KRBDMPKNPNUHET-OCCSQVGLSA-N	2	0	314.430	-1.128	20	0		DAADRP
C[C@@H]([NH2+][C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1)C(N)=O	ZINC001410723958	925766943	/nfs/dbraw/zinc/76/69/43/925766943.db2.gz	JWFNXOMUAHSENS-ZYHUDNBSSA-N	2	0	300.403	-1.341	20	0		DAADRP
C[C@H]([NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)C(=O)NC(N)=O	ZINC001410728742	925767079	/nfs/dbraw/zinc/76/70/79/925767079.db2.gz	KFDGSMWJOYBMQH-DTWKUNHWSA-N	2	0	303.363	-2.412	20	0		DAADRP
C[C@H]([NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)C(=O)NC(N)=O	ZINC001410728746	925769571	/nfs/dbraw/zinc/76/95/71/925769571.db2.gz	KFDGSMWJOYBMQH-IUCAKERBSA-N	2	0	303.363	-2.412	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCS(=O)(=O)C1	ZINC001410735367	925772204	/nfs/dbraw/zinc/77/22/04/925772204.db2.gz	SKBWXXBCKYRMOF-VXGBXAGGSA-N	2	0	321.443	-1.561	20	0		DAADRP
CN(C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1	ZINC001410775848	925777344	/nfs/dbraw/zinc/77/73/44/925777344.db2.gz	AJZZRDWDOVXIAY-VXGBXAGGSA-N	2	0	312.414	-1.374	20	0		DAADRP
Cn1nccc1CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001410781490	925779816	/nfs/dbraw/zinc/77/98/16/925779816.db2.gz	FIUBMXFGCPTAQC-QWHCGFSZSA-N	2	0	309.414	-1.019	20	0		DAADRP
Cn1nccc1CC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001410781506	925780440	/nfs/dbraw/zinc/78/04/40/925780440.db2.gz	FIUBMXFGCPTAQC-STQMWFEESA-N	2	0	309.414	-1.019	20	0		DAADRP
C[C@@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C[NH+]1CCCC1	ZINC001410840099	925789239	/nfs/dbraw/zinc/78/92/39/925789239.db2.gz	CLEKOINONCXFEZ-GHMZBOCLSA-N	2	0	311.386	-1.144	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)C[N@H+](C)C1CCC1	ZINC001411044810	925804127	/nfs/dbraw/zinc/80/41/27/925804127.db2.gz	PSOSSPLLFVPSQK-STQMWFEESA-N	2	0	312.414	-1.232	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)C[N@H+](C)C1CCC1	ZINC001411044807	925804242	/nfs/dbraw/zinc/80/42/42/925804242.db2.gz	PSOSSPLLFVPSQK-QWHCGFSZSA-N	2	0	312.414	-1.232	20	0		DAADRP
COC[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001411084598	925809597	/nfs/dbraw/zinc/80/95/97/925809597.db2.gz	FLKMIGNSOMEYLG-JHJVBQTASA-N	2	0	303.403	-1.503	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001411147934	925819812	/nfs/dbraw/zinc/81/98/12/925819812.db2.gz	ULIMSZBQJLEIMS-CHWSQXEVSA-N	2	0	314.430	-1.175	20	0		DAADRP
CN(C[C@@H](O)C[N@H+](C)[C@@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001411177643	925826497	/nfs/dbraw/zinc/82/64/97/925826497.db2.gz	DBPZLRKZWAMTMX-QWHCGFSZSA-N	2	0	324.425	-1.278	20	0		DAADRP
CN(C[C@@H](O)C[N@H+](C)[C@@H]1CCCNC1=O)C(=O)CC[NH+](C)C	ZINC001411190830	925831243	/nfs/dbraw/zinc/83/12/43/925831243.db2.gz	NOAAAPOWLLYPGU-QWHCGFSZSA-N	2	0	314.430	-1.032	20	0		DAADRP
CN(C[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001413271184	926026909	/nfs/dbraw/zinc/02/69/09/926026909.db2.gz	SFDZGSAAKMHWNE-STQMWFEESA-N	2	0	314.430	-1.175	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1O	ZINC001413977473	926092870	/nfs/dbraw/zinc/09/28/70/926092870.db2.gz	KROXRYZPZFKCMO-FRRDWIJNSA-N	2	0	312.414	-1.280	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1	ZINC001418021497	926357881	/nfs/dbraw/zinc/35/78/81/926357881.db2.gz	TWHJBIDBYCLAHV-AAEUAGOBSA-N	2	0	312.414	-1.076	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1	ZINC001418010662	926357985	/nfs/dbraw/zinc/35/79/85/926357985.db2.gz	ANGDRVCURZPTQB-LLVKDONJSA-N	2	0	311.386	-1.239	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1	ZINC001418021498	926358152	/nfs/dbraw/zinc/35/81/52/926358152.db2.gz	TWHJBIDBYCLAHV-DGCLKSJQSA-N	2	0	312.414	-1.076	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1	ZINC001418330984	926383246	/nfs/dbraw/zinc/38/32/46/926383246.db2.gz	BDQKVZHOWNRHNT-NSHDSACASA-N	2	0	313.402	-1.026	20	0		DAADRP
C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O	ZINC001418364779	926384923	/nfs/dbraw/zinc/38/49/23/926384923.db2.gz	WSMNSDMIPPQUIS-QWRGUYRKSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O	ZINC001418364778	926384989	/nfs/dbraw/zinc/38/49/89/926384989.db2.gz	WSMNSDMIPPQUIS-MNOVXSKESA-N	2	0	313.402	-1.040	20	0		DAADRP
CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)NC(N)=O	ZINC001419263900	926470204	/nfs/dbraw/zinc/47/02/04/926470204.db2.gz	PMSOBVZIAHUSIF-JTQLQIEISA-N	2	0	311.386	-1.239	20	0		DAADRP
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C	ZINC001419478658	926480432	/nfs/dbraw/zinc/48/04/32/926480432.db2.gz	YSGAOEDOOJEFKY-CHWFTXMASA-N	2	0	311.386	-1.242	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001420020320	926517347	/nfs/dbraw/zinc/51/73/47/926517347.db2.gz	UUSHARVBASARRX-QWRGUYRKSA-N	2	0	311.386	-1.429	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C1CCC1	ZINC001420138629	926540309	/nfs/dbraw/zinc/54/03/09/926540309.db2.gz	LWORUSBRGTUGPT-JQWIXIFHSA-N	2	0	300.403	-1.328	20	0		DAADRP
Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1	ZINC001420140601	926540642	/nfs/dbraw/zinc/54/06/42/926540642.db2.gz	NUFXQCXRIMPOBR-LBPRGKRZSA-N	2	0	310.402	-1.134	20	0		DAADRP
O=C(NC[C@H](O)C[NH2+][C@@H]1CCNC1=O)C12CCC[NH+](CCC1)C2	ZINC001420139811	926540656	/nfs/dbraw/zinc/54/06/56/926540656.db2.gz	BZTJJNFPNYZMGP-CHWSQXEVSA-N	2	0	324.425	-1.182	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+]1CCC2	ZINC001420163378	926549627	/nfs/dbraw/zinc/54/96/27/926549627.db2.gz	WECFQSNFHCWJGP-LBPRGKRZSA-N	2	0	312.414	-1.230	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)C1	ZINC001420177854	926553786	/nfs/dbraw/zinc/55/37/86/926553786.db2.gz	YEBLLTGCQQTNJA-WCQYABFASA-N	2	0	312.414	-1.327	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)C1	ZINC001420177855	926554301	/nfs/dbraw/zinc/55/43/01/926554301.db2.gz	YEBLLTGCQQTNJA-YPMHNXCESA-N	2	0	312.414	-1.327	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)C1	ZINC001420177852	926554573	/nfs/dbraw/zinc/55/45/73/926554573.db2.gz	YEBLLTGCQQTNJA-AAEUAGOBSA-N	2	0	312.414	-1.327	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001420192860	926557738	/nfs/dbraw/zinc/55/77/38/926557738.db2.gz	RSRWDHBMAIMYEO-VXGBXAGGSA-N	2	0	300.403	-1.471	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1	ZINC001420196023	926560178	/nfs/dbraw/zinc/56/01/78/926560178.db2.gz	ZYAMAIRLFHXULF-SECBINFHSA-N	2	0	301.347	-2.656	20	0		DAADRP
C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CC[NH+]1CCCCC1)C(N)=O	ZINC001420211339	926565254	/nfs/dbraw/zinc/56/52/54/926565254.db2.gz	JTGCKWHMCHCUMN-VXGBXAGGSA-N	2	0	300.403	-1.197	20	0		DAADRP
C[C@@H]([NH2+]C[C@H](O)CNC(=O)CC[NH+]1CCCCC1)C(N)=O	ZINC001420211332	926565354	/nfs/dbraw/zinc/56/53/54/926565354.db2.gz	JTGCKWHMCHCUMN-NEPJUHHUSA-N	2	0	300.403	-1.197	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCn2cncn2)C1	ZINC001421342456	926668429	/nfs/dbraw/zinc/66/84/29/926668429.db2.gz	UNXFGGXIQJVVQC-DZGCQCFKSA-N	2	0	322.413	-1.075	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCn2cncn2)C1	ZINC001421342461	926669034	/nfs/dbraw/zinc/66/90/34/926669034.db2.gz	UNXFGGXIQJVVQC-ZFWWWQNUSA-N	2	0	322.413	-1.075	20	0		DAADRP
C[NH+]1CCC(OCC(=O)NC[C@@]2(O)CC[N@H+](CCO)C2)CC1	ZINC001421377796	926679186	/nfs/dbraw/zinc/67/91/86/926679186.db2.gz	AVUIAVYXCUXIHV-HNNXBMFYSA-N	2	0	315.414	-1.358	20	0		DAADRP
O=C([C@@H]1C[NH+]2CCC1CC2)N(CCO)CC[NH2+][C@H]1CCNC1=O	ZINC001421639061	926738746	/nfs/dbraw/zinc/73/87/46/926738746.db2.gz	VNRGLNDCTMSHGV-KGLIPLIRSA-N	2	0	324.425	-1.373	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C	ZINC001421734102	926748990	/nfs/dbraw/zinc/74/89/90/926748990.db2.gz	BRANCWNDODKHJP-SNVBAGLBSA-N	2	0	301.391	-1.264	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C	ZINC001421734096	926750573	/nfs/dbraw/zinc/75/05/73/926750573.db2.gz	BRANCWNDODKHJP-JTQLQIEISA-N	2	0	301.391	-1.264	20	0		DAADRP
CC[N@H+](C)CCC(=O)N1CCO[C@H](C[NH2+]CC(=O)NC)C1	ZINC001421813950	926763900	/nfs/dbraw/zinc/76/39/00/926763900.db2.gz	DFJCMCVBXHNHFI-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)c1cnn(CC[NH+](C)C)c1	ZINC001421949872	926775649	/nfs/dbraw/zinc/77/56/49/926775649.db2.gz	UGFZJQXPJJPLRN-LLVKDONJSA-N	2	0	310.402	-1.020	20	0		DAADRP
C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)c1cnn(CC[NH+](C)C)c1	ZINC001421949873	926775797	/nfs/dbraw/zinc/77/57/97/926775797.db2.gz	UGFZJQXPJJPLRN-NSHDSACASA-N	2	0	310.402	-1.020	20	0		DAADRP
C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)CCC[NH+](C)C	ZINC001421948345	926776029	/nfs/dbraw/zinc/77/60/29/926776029.db2.gz	RTHFPTMRIGOVKM-SNVBAGLBSA-N	2	0	301.391	-1.040	20	0		DAADRP
C[NH+]1CCC(NC(=O)C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)CC1	ZINC001422048483	926784823	/nfs/dbraw/zinc/78/48/23/926784823.db2.gz	LOHIIMGBYCCLNC-QWRGUYRKSA-N	2	0	311.386	-2.285	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnnn2C)CC[N@@H+]1C	ZINC001422314514	926823858	/nfs/dbraw/zinc/82/38/58/926823858.db2.gz	JUVXSPSKJAKFCR-RAIGVLPGSA-N	2	0	310.402	-1.278	20	0		DAADRP
C[N@H+](CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O)CC(C)(C)C	ZINC001422362419	926851832	/nfs/dbraw/zinc/85/18/32/926851832.db2.gz	PEHQRMKCFPXRSZ-VXGBXAGGSA-N	2	0	314.430	-1.081	20	0		DAADRP
CC1CC[NH+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)CC1	ZINC001422376547	926855679	/nfs/dbraw/zinc/85/56/79/926855679.db2.gz	FSMVIFQSJMOACR-CYBMUJFWSA-N	2	0	314.430	-1.127	20	0		DAADRP
CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)[NH+]1CCCC1	ZINC001422429901	926872734	/nfs/dbraw/zinc/87/27/34/926872734.db2.gz	UKHDFBMCHAMGMR-AAEUAGOBSA-N	2	0	300.403	-1.341	20	0		DAADRP
CC(C)[C@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)[NH+]1CCCC1	ZINC001422429905	926873301	/nfs/dbraw/zinc/87/33/01/926873301.db2.gz	UKHDFBMCHAMGMR-DGCLKSJQSA-N	2	0	300.403	-1.341	20	0		DAADRP
CC(C)[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)[NH+]1CCCC1	ZINC001422429912	926873633	/nfs/dbraw/zinc/87/36/33/926873633.db2.gz	UKHDFBMCHAMGMR-YPMHNXCESA-N	2	0	300.403	-1.341	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001422907543	926928670	/nfs/dbraw/zinc/92/86/70/926928670.db2.gz	QPXOZMZLUUDNOX-DCAQKATOSA-N	2	0	311.386	-1.383	20	0		DAADRP
C[C@H](CN(C)Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CC[N@H+](C)C1	ZINC001422936042	926931237	/nfs/dbraw/zinc/93/12/37/926931237.db2.gz	NSFREQDDMIAHCR-MNOVXSKESA-N	2	0	310.402	-1.003	20	0		DAADRP
CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001423221119	926980112	/nfs/dbraw/zinc/98/01/12/926980112.db2.gz	QWHLKHYDYRGNIT-FRRDWIJNSA-N	2	0	314.430	-1.128	20	0		DAADRP
O=C(NC[C@H](CO)[NH2+]CCn1cncn1)C12CCC[NH+]1CCC2	ZINC001423230047	926986678	/nfs/dbraw/zinc/98/66/78/926986678.db2.gz	NUEZWZVFGSCEKY-CYBMUJFWSA-N	2	0	322.413	-1.027	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CC2)C1	ZINC001423301973	927021421	/nfs/dbraw/zinc/02/14/21/927021421.db2.gz	UOKRHVVXEOWACS-YPMHNXCESA-N	2	0	312.414	-1.327	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)C12CCC[NH+]1CCC2	ZINC001423455748	927058181	/nfs/dbraw/zinc/05/81/81/927058181.db2.gz	CMBRKJGBIBHEBT-OLZOCXBDSA-N	2	0	324.425	-1.088	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)C12CCC[NH+]1CCC2	ZINC001423455797	927059337	/nfs/dbraw/zinc/05/93/37/927059337.db2.gz	CMBRKJGBIBHEBT-STQMWFEESA-N	2	0	324.425	-1.088	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1	ZINC001423451630	927059640	/nfs/dbraw/zinc/05/96/40/927059640.db2.gz	IMGOLFQJKUTZIY-RYUDHWBXSA-N	2	0	314.430	-1.128	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1	ZINC001423451625	927059729	/nfs/dbraw/zinc/05/97/29/927059729.db2.gz	IMGOLFQJKUTZIY-NEPJUHHUSA-N	2	0	314.430	-1.128	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1	ZINC001423454916	927059762	/nfs/dbraw/zinc/05/97/62/927059762.db2.gz	NNPLFZCEVKZMIF-GFCCVEGCSA-N	2	0	314.430	-1.175	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)C1CCC1	ZINC001423461383	927061383	/nfs/dbraw/zinc/06/13/83/927061383.db2.gz	KOWVODMLXIBMAV-ZDUSSCGKSA-N	2	0	314.430	-1.032	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)C1CCC1	ZINC001423461376	927063516	/nfs/dbraw/zinc/06/35/16/927063516.db2.gz	KOWVODMLXIBMAV-CYBMUJFWSA-N	2	0	314.430	-1.032	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)C1([NH+](C)C)CCC1	ZINC001423471425	927067835	/nfs/dbraw/zinc/06/78/35/927067835.db2.gz	VDBOXFXPIWQEGE-NEPJUHHUSA-N	2	0	312.414	-1.232	20	0		DAADRP
CC(C)[C@@H](C(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O)[NH+](C)C	ZINC001424050873	927188691	/nfs/dbraw/zinc/18/86/91/927188691.db2.gz	QOEDIIIBCMLUFE-STQMWFEESA-N	2	0	314.430	-1.128	20	0		DAADRP
CN1CC[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]2CCC[N@@H+]2C)C1=O	ZINC001424064811	927190411	/nfs/dbraw/zinc/19/04/11/927190411.db2.gz	HJYDXXOABVQYGQ-STQMWFEESA-N	2	0	312.414	-1.278	20	0		DAADRP
CC[C@H]([NH2+]CCN(CCO)C(=O)C12CC[NH+](CC1)C2)C(N)=O	ZINC001424056122	927191327	/nfs/dbraw/zinc/19/13/27/927191327.db2.gz	WSJIYBVZTKLUCZ-LBPRGKRZSA-N	2	0	312.414	-1.243	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1	ZINC001425421540	927355241	/nfs/dbraw/zinc/35/52/41/927355241.db2.gz	WRPIBCHYIOFFDV-XYPYZODXSA-N	2	0	313.402	-1.122	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)C[NH+]1CCCC1	ZINC001425461582	927368950	/nfs/dbraw/zinc/36/89/50/927368950.db2.gz	PCCVYFQCFGOETF-QWHCGFSZSA-N	2	0	312.414	-1.230	20	0		DAADRP
CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H](CO)[NH2+]CCO	ZINC001425783871	927445197	/nfs/dbraw/zinc/44/51/97/927445197.db2.gz	ZBNRJLBBWJAXKO-LBPRGKRZSA-N	2	0	303.403	-1.596	20	0		DAADRP
CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1	ZINC001425797448	927452858	/nfs/dbraw/zinc/45/28/58/927452858.db2.gz	MHYWJWJVVZQMRM-RYUDHWBXSA-N	2	0	300.403	-1.340	20	0		DAADRP
CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1	ZINC001425797436	927453271	/nfs/dbraw/zinc/45/32/71/927453271.db2.gz	MHYWJWJVVZQMRM-NEPJUHHUSA-N	2	0	300.403	-1.340	20	0		DAADRP
CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1	ZINC001425822707	927462294	/nfs/dbraw/zinc/46/22/94/927462294.db2.gz	PUVOMLYXKGPVIU-CYBMUJFWSA-N	2	0	314.430	-1.127	20	0		DAADRP
CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001425826880	927466416	/nfs/dbraw/zinc/46/64/16/927466416.db2.gz	CRQCWTLOQHCVNK-RYUDHWBXSA-N	2	0	300.403	-1.469	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](CO)[NH2+]CC(N)=O	ZINC001425854418	927479111	/nfs/dbraw/zinc/47/91/11/927479111.db2.gz	NTNASFFOMZDIBE-MNOVXSKESA-N	2	0	302.375	-2.493	20	0		DAADRP
CC[N@H+](C)CCC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O	ZINC001426026790	927509731	/nfs/dbraw/zinc/50/97/31/927509731.db2.gz	BYBOXGNZTVGOBV-STQMWFEESA-N	2	0	314.430	-1.032	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)CC[NH+](C)C	ZINC001426031613	927511808	/nfs/dbraw/zinc/51/18/08/927511808.db2.gz	SNEZPWODAQJVSW-CYBMUJFWSA-N	2	0	314.430	-1.031	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001426032666	927512132	/nfs/dbraw/zinc/51/21/32/927512132.db2.gz	RWHRYQSWWJLYDY-STQMWFEESA-N	2	0	324.425	-1.230	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001426032665	927512361	/nfs/dbraw/zinc/51/23/61/927512361.db2.gz	RWHRYQSWWJLYDY-QWHCGFSZSA-N	2	0	324.425	-1.230	20	0		DAADRP
C[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1	ZINC001428798841	927807526	/nfs/dbraw/zinc/80/75/26/927807526.db2.gz	PREJWLCUGQXRTJ-CHWSQXEVSA-N	2	0	312.414	-1.278	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[NH+](C)C1	ZINC001431536994	928055032	/nfs/dbraw/zinc/05/50/32/928055032.db2.gz	DHLKVKVFVVUCFR-QWHCGFSZSA-N	2	0	314.430	-1.128	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)CC[NH+](C)C)CC[N@@H+]1C	ZINC001431553330	928060912	/nfs/dbraw/zinc/06/09/12/928060912.db2.gz	WDVARRTXXBSPLY-JHJVBQTASA-N	2	0	314.430	-1.128	20	0		DAADRP
O=C(C[NH+]1CCCC1)NCC(O)CNC(=O)C[NH+]1CCCC1	ZINC001431562959	928064508	/nfs/dbraw/zinc/06/45/08/928064508.db2.gz	YPGVTHCAZVNWNK-UHFFFAOYSA-N	2	0	312.414	-1.229	20	0		DAADRP
C[N@H+](CC(=O)N1CCCN(CC(N)=O)CC1)[C@@H]1CCC[C@H]1O	ZINC001433672009	928252292	/nfs/dbraw/zinc/25/22/92/928252292.db2.gz	UQZWBOURRVBSEF-CHWSQXEVSA-N	2	0	312.414	-1.149	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)CC1=O	ZINC001434384452	928344749	/nfs/dbraw/zinc/34/47/49/928344749.db2.gz	COBANMUCSRNKBZ-QWHCGFSZSA-N	2	0	324.425	-1.014	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)CC1=O	ZINC001434384450	928344960	/nfs/dbraw/zinc/34/49/60/928344960.db2.gz	COBANMUCSRNKBZ-CHWSQXEVSA-N	2	0	324.425	-1.014	20	0		DAADRP
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001436897840	928415666	/nfs/dbraw/zinc/41/56/66/928415666.db2.gz	JENSESXMGHYYOW-GMTAPVOTSA-N	2	0	311.386	-1.098	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1	ZINC001436883663	928416472	/nfs/dbraw/zinc/41/64/72/928416472.db2.gz	PMTKAKGAHFIHRE-NSHDSACASA-N	2	0	313.402	-1.027	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001437422416	928448202	/nfs/dbraw/zinc/44/82/02/928448202.db2.gz	NHFMUCJZSWMFJW-QWRGUYRKSA-N	2	0	313.402	-1.122	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1	ZINC001437745773	928475274	/nfs/dbraw/zinc/47/52/74/928475274.db2.gz	UXSSEPAIIFQAPC-OLZOCXBDSA-N	2	0	312.414	-1.122	20	0		DAADRP
C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H](C)C(=O)NC(N)=O	ZINC001438526035	928520563	/nfs/dbraw/zinc/52/05/63/928520563.db2.gz	YNGHUVIGRUJGFY-ZJUUUORDSA-N	2	0	301.391	-1.137	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001438982243	928556636	/nfs/dbraw/zinc/55/66/36/928556636.db2.gz	KLUBKPBVOCTGDS-NEPJUHHUSA-N	2	0	300.403	-1.328	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21	ZINC001439025139	928579577	/nfs/dbraw/zinc/57/95/77/928579577.db2.gz	KMPUUYCIXOVJEC-NWDGAFQWSA-N	2	0	310.402	-1.216	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21	ZINC001439025144	928581930	/nfs/dbraw/zinc/58/19/30/928581930.db2.gz	KMPUUYCIXOVJEC-VXGBXAGGSA-N	2	0	310.402	-1.216	20	0		DAADRP
CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001439042985	928587376	/nfs/dbraw/zinc/58/73/76/928587376.db2.gz	CNUCGCOGSJZKKI-CHWSQXEVSA-N	2	0	324.425	-1.230	20	0		DAADRP
CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001439046985	928590643	/nfs/dbraw/zinc/59/06/43/928590643.db2.gz	LJLRRIVBGNAMRY-NEPJUHHUSA-N	2	0	310.398	-1.620	20	0		DAADRP
CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001439046988	928592300	/nfs/dbraw/zinc/59/23/00/928592300.db2.gz	LJLRRIVBGNAMRY-NWDGAFQWSA-N	2	0	310.398	-1.620	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O	ZINC001439044291	928592336	/nfs/dbraw/zinc/59/23/36/928592336.db2.gz	MFFRSGOQQQPDQG-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC2CC2)C1	ZINC001439050577	928595000	/nfs/dbraw/zinc/59/50/00/928595000.db2.gz	ZSSCNEXVMFMJCD-CHWSQXEVSA-N	2	0	312.414	-1.469	20	0		DAADRP
C[C@H]([NH2+]CCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1)C(N)=O	ZINC001440204017	928704175	/nfs/dbraw/zinc/70/41/75/928704175.db2.gz	GISGYQIOGLUAFB-RYUDHWBXSA-N	2	0	300.403	-1.388	20	0		DAADRP
C[C@H]([NH2+]CCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(N)=O	ZINC001440204008	928705113	/nfs/dbraw/zinc/70/51/13/928705113.db2.gz	GISGYQIOGLUAFB-NEPJUHHUSA-N	2	0	300.403	-1.388	20	0		DAADRP
CC[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C)C(N)=O	ZINC001440207428	928706087	/nfs/dbraw/zinc/70/60/87/928706087.db2.gz	MYKJJVTUULJOSG-NWDGAFQWSA-N	2	0	300.403	-1.245	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001440367027	928717605	/nfs/dbraw/zinc/71/76/05/928717605.db2.gz	BYRDZICFCYDMQJ-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
COC[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)CC[NH+](C)C)CC1	ZINC001440621189	928734466	/nfs/dbraw/zinc/73/44/66/928734466.db2.gz	AAINMGKRUSYOOP-ZDUSSCGKSA-N	2	0	317.430	-1.112	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001441417961	928787233	/nfs/dbraw/zinc/78/72/33/928787233.db2.gz	RGIFUZZPYWKQPK-GMTAPVOTSA-N	2	0	311.386	-1.240	20	0		DAADRP
C[C@H](CN(C)C(=O)c1ccn(CC[NH+](C)C)n1)[NH2+]CC(N)=O	ZINC001441508185	928795594	/nfs/dbraw/zinc/79/55/94/928795594.db2.gz	GFZCKVZGLRLVEV-LLVKDONJSA-N	2	0	310.402	-1.020	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CCS(C)(=O)=O)CC[N@@H+]1C	ZINC001441698518	928821315	/nfs/dbraw/zinc/82/13/15/928821315.db2.gz	UCZPRPSJEMPDPE-IJLUTSLNSA-N	2	0	321.443	-1.562	20	0		DAADRP
C[NH+](C)CC1(C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCC2)CC1	ZINC001441741943	928850206	/nfs/dbraw/zinc/85/02/06/928850206.db2.gz	NXSNHHXHKCJGGJ-LBPRGKRZSA-N	2	0	312.414	-1.373	20	0		DAADRP
CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1	ZINC001441758683	928853931	/nfs/dbraw/zinc/85/39/31/928853931.db2.gz	ZENPDVBUPYBPBM-GFCCVEGCSA-N	2	0	300.403	-1.469	20	0		DAADRP
CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2	ZINC001441796429	928865262	/nfs/dbraw/zinc/86/52/62/928865262.db2.gz	VUDDOXJFGUCNJS-GFCCVEGCSA-N	2	0	312.414	-1.373	20	0		DAADRP
C[C@@H]([NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)C(=O)NC1CC1	ZINC001441786183	928866030	/nfs/dbraw/zinc/86/60/30/928866030.db2.gz	JZRDBJSMIYVPJL-YPMHNXCESA-N	2	0	324.425	-1.184	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCN2CCCC2=O)C1	ZINC001441795137	928867346	/nfs/dbraw/zinc/86/73/46/928867346.db2.gz	OBOGEWYVDFBLDN-CHWSQXEVSA-N	2	0	312.414	-1.373	20	0		DAADRP
Cc1nc(C)n(CC[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1	ZINC001441787902	928868105	/nfs/dbraw/zinc/86/81/05/928868105.db2.gz	GNWJLFLPPXXETC-KBPBESRZSA-N	2	0	324.429	-1.087	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001441800022	928868628	/nfs/dbraw/zinc/86/86/28/928868628.db2.gz	ROCGOEUJSGNOFQ-NXEZZACHSA-N	2	0	315.374	-2.540	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001442025883	928907310	/nfs/dbraw/zinc/90/73/10/928907310.db2.gz	AZCTYZOVAULXQW-DGCLKSJQSA-N	2	0	312.414	-1.374	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001442026899	928911050	/nfs/dbraw/zinc/91/10/50/928911050.db2.gz	DJXGRGJHMVGCMS-NXEZZACHSA-N	2	0	315.374	-2.458	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)C[NH+]1CCCC1	ZINC001442043445	928914419	/nfs/dbraw/zinc/91/44/19/928914419.db2.gz	WWYULSOQAYDCKG-ZDUSSCGKSA-N	2	0	312.414	-1.277	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001444310725	929110486	/nfs/dbraw/zinc/11/04/86/929110486.db2.gz	PFQSMAWXRWCMNB-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001445179083	929176733	/nfs/dbraw/zinc/17/67/33/929176733.db2.gz	JMGVXOXUTQGOHX-KBPBESRZSA-N	2	0	322.413	-1.276	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1	ZINC001445188739	929181148	/nfs/dbraw/zinc/18/11/48/929181148.db2.gz	KQLXUQBHVHMKHJ-NSHDSACASA-N	2	0	300.403	-1.374	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2	ZINC001445201559	929184183	/nfs/dbraw/zinc/18/41/83/929184183.db2.gz	GUFQBHGYGFTEAO-GFCCVEGCSA-N	2	0	312.414	-1.325	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1	ZINC001445227527	929194296	/nfs/dbraw/zinc/19/42/96/929194296.db2.gz	UITRPGOIMMJPEP-VXGBXAGGSA-N	2	0	321.443	-1.561	20	0		DAADRP
COC[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001445237827	929197203	/nfs/dbraw/zinc/19/72/03/929197203.db2.gz	SAFVUXGQJJDBSF-FQUUOJAGSA-N	2	0	317.430	-1.209	20	0		DAADRP
CN1CCC[C@@H]([NH2+]C[C@H](O)CNC(=O)C[NH+]2CCCC2)C1=O	ZINC001445260699	929203009	/nfs/dbraw/zinc/20/30/09/929203009.db2.gz	AAEBIPHQQWJYPR-QWHCGFSZSA-N	2	0	312.414	-1.230	20	0		DAADRP
Cn1[nH]c(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)nc1=O	ZINC001445268714	929206100	/nfs/dbraw/zinc/20/61/00/929206100.db2.gz	KDZFIGKDWQRVND-NXEZZACHSA-N	2	0	312.374	-2.373	20	0		DAADRP
Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1=O	ZINC001445267173	929207392	/nfs/dbraw/zinc/20/73/92/929207392.db2.gz	ISKIWPYWTHLXJU-KBPBESRZSA-N	2	0	322.409	-1.096	20	0		DAADRP
O=C(C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)NC1CC1	ZINC001445266936	929207619	/nfs/dbraw/zinc/20/76/19/929207619.db2.gz	XQTQMYIGFANHIL-LBPRGKRZSA-N	2	0	310.398	-1.573	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001445278024	929212494	/nfs/dbraw/zinc/21/24/94/929212494.db2.gz	WZQIIKYRVKHIKW-RYUDHWBXSA-N	2	0	300.403	-1.517	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1	ZINC001445279590	929213326	/nfs/dbraw/zinc/21/33/26/929213326.db2.gz	ZMJHGFUOUUUFHC-LBPRGKRZSA-N	2	0	300.403	-1.327	20	0		DAADRP
C[NH+](C)CCC(=O)N(CCO)CC[NH2+][C@@H]1CCCNC1=O	ZINC001447060359	929367944	/nfs/dbraw/zinc/36/79/44/929367944.db2.gz	HDYMQRYFVYKWIP-GFCCVEGCSA-N	2	0	300.403	-1.373	20	0		DAADRP
O=C(N(CCO)CC[NH2+][C@H]1CCNC1=O)C12CCC[NH+]1CCC2	ZINC001447060881	929368459	/nfs/dbraw/zinc/36/84/59/929368459.db2.gz	IPEVPXVRNASCBQ-ZDUSSCGKSA-N	2	0	324.425	-1.086	20	0		DAADRP
CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)CC[NH+](C)C)CCO2)C1=O	ZINC001447284349	929380663	/nfs/dbraw/zinc/38/06/63/929380663.db2.gz	BUHUYQMXFMTYQW-QWHCGFSZSA-N	2	0	312.414	-1.014	20	0		DAADRP
C[NH+](C)C1(C(=O)N2CCC[C@@](CO)([NH2+]CC(N)=O)C2)CCC1	ZINC001447450513	929392545	/nfs/dbraw/zinc/39/25/45/929392545.db2.gz	PGVPIDRRMTVDOO-CQSZACIVSA-N	2	0	312.414	-1.101	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(N)=O)C1	ZINC001448510267	929456131	/nfs/dbraw/zinc/45/61/31/929456131.db2.gz	LVNUDLDAXIQORB-GMTAPVOTSA-N	2	0	311.386	-1.240	20	0		DAADRP
C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)NC(N)=O	ZINC001448727322	929466919	/nfs/dbraw/zinc/46/69/19/929466919.db2.gz	OIYZAQYTDKFHBR-MNOVXSKESA-N	2	0	313.402	-1.040	20	0		DAADRP
C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(=O)NC(N)=O	ZINC001448727323	929467639	/nfs/dbraw/zinc/46/76/39/929467639.db2.gz	OIYZAQYTDKFHBR-QWRGUYRKSA-N	2	0	313.402	-1.040	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001448792713	929471698	/nfs/dbraw/zinc/47/16/98/929471698.db2.gz	VRNWIIOBBPAIOM-GHMZBOCLSA-N	2	0	313.402	-1.170	20	0		DAADRP
C[NH+](C)C1(C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCC2)CCC1	ZINC001448834672	929487888	/nfs/dbraw/zinc/48/78/88/929487888.db2.gz	DDDRSXGJSMBJIK-LBPRGKRZSA-N	2	0	312.414	-1.230	20	0		DAADRP
CN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)C2(C[NH+](C)C)CC2)C1=O	ZINC001448895773	929511676	/nfs/dbraw/zinc/51/16/76/929511676.db2.gz	MHXBTVFYBOYBLA-NWDGAFQWSA-N	2	0	312.414	-1.374	20	0		DAADRP
C[NH+](C)CC1(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCCNC2=O)CC1	ZINC001448899545	929511797	/nfs/dbraw/zinc/51/17/97/929511797.db2.gz	RIKUICAQZZAUTN-NWDGAFQWSA-N	2	0	312.414	-1.327	20	0		DAADRP
CN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C2(C[NH+](C)C)CC2)C1=O	ZINC001448895771	929511823	/nfs/dbraw/zinc/51/18/23/929511823.db2.gz	MHXBTVFYBOYBLA-NEPJUHHUSA-N	2	0	312.414	-1.374	20	0		DAADRP
C[C@@H]([NH2+][C@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C)C(N)=O	ZINC001448913133	929513495	/nfs/dbraw/zinc/51/34/95/929513495.db2.gz	VMLUCLWQGKQLBT-MNOVXSKESA-N	2	0	302.419	-1.095	20	0		DAADRP
CNC(=O)C[NH2+][C@H](CO)CNC(=O)COC1CC[NH+](C)CC1	ZINC001448922102	929515788	/nfs/dbraw/zinc/51/57/88/929515788.db2.gz	ODLVDTZGSYLMHM-NSHDSACASA-N	2	0	316.402	-2.090	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C(C)C	ZINC001448945944	929522452	/nfs/dbraw/zinc/52/24/52/929522452.db2.gz	BPDPNHPDKANMMJ-JTQLQIEISA-N	2	0	317.390	-2.151	20	0		DAADRP
CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)C1=O	ZINC001448956177	929525296	/nfs/dbraw/zinc/52/52/96/929525296.db2.gz	QEZDJBBZEFTXRV-OLZOCXBDSA-N	2	0	312.414	-1.230	20	0		DAADRP
C[C@@H]([NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1)C(=O)N(C)C	ZINC001448960769	929528626	/nfs/dbraw/zinc/52/86/26/929528626.db2.gz	XONOVXPIQUFYSI-NEPJUHHUSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C)CC[N@@H+]1C	ZINC001449131734	929548421	/nfs/dbraw/zinc/54/84/21/929548421.db2.gz	VNFQCMJBXDOSNM-JHJVBQTASA-N	2	0	314.430	-1.176	20	0		DAADRP
C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C)CC[N@@H+]1C	ZINC001449131733	929549186	/nfs/dbraw/zinc/54/91/86/929549186.db2.gz	VNFQCMJBXDOSNM-FRRDWIJNSA-N	2	0	314.430	-1.176	20	0		DAADRP
C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C)C(=O)N(C)C	ZINC001449148424	929552649	/nfs/dbraw/zinc/55/26/49/929552649.db2.gz	TVZNXBUPEKXMJQ-VXGBXAGGSA-N	2	0	302.419	-1.176	20	0		DAADRP
CCC[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCNC1=O	ZINC001449166527	929558904	/nfs/dbraw/zinc/55/89/04/929558904.db2.gz	XACOCFJNGQWVDV-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)CC1=O	ZINC001548572862	930030777	/nfs/dbraw/zinc/03/07/77/930030777.db2.gz	RBNPFFCGXWVFPM-DGAVXFQQSA-N	2	0	324.425	-1.232	20	0		DAADRP
C[NH+]1CCN(c2cc(C(=O)N[C@@H]3C[NH2+]C[C@@H]3O)ccn2)CC1	ZINC001548572717	930032124	/nfs/dbraw/zinc/03/21/24/930032124.db2.gz	MXZMUABOCYITLL-OLZOCXBDSA-N	2	0	305.382	-1.104	20	0		DAADRP
C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@H]1C[NH+]2CCN1CCC2	ZINC001548700838	930041038	/nfs/dbraw/zinc/04/10/38/930041038.db2.gz	DQWFYGLKMJVAOG-ILXRZTDVSA-N	2	0	307.442	-1.119	20	0		DAADRP
O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC001549046584	930047146	/nfs/dbraw/zinc/04/71/46/930047146.db2.gz	WFTDWUWCYLEWNL-UONOGXRCSA-N	2	0	323.441	-1.249	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC001549046022	930047208	/nfs/dbraw/zinc/04/72/08/930047208.db2.gz	ODSCXHDIAGNNHX-OLZOCXBDSA-N	2	0	309.414	-1.639	20	0		DAADRP
CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1	ZINC001549050347	930050768	/nfs/dbraw/zinc/05/07/68/930050768.db2.gz	LGPXTECQGICXNU-OBJOEFQTSA-N	2	0	322.413	-1.227	20	0		DAADRP
CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1	ZINC001549050348	930050922	/nfs/dbraw/zinc/05/09/22/930050922.db2.gz	LGPXTECQGICXNU-SCRDCRAPSA-N	2	0	322.413	-1.227	20	0		DAADRP
Cn1cc([C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)C[C@@H]2[NH3+])cn1	ZINC001549123019	930051171	/nfs/dbraw/zinc/05/11/71/930051171.db2.gz	FMHVEABBWJKKIX-OSFYFWSMSA-N	2	0	305.382	-1.091	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)NCC23CC(C2)C[NH2+]3)nn1	ZINC001549299807	930052061	/nfs/dbraw/zinc/05/20/61/930052061.db2.gz	KJIJVONRAYAYJR-GDQVSHSTSA-N	2	0	320.397	-1.152	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC3CC2(C[NH3+])C3)nn1	ZINC001549298428	930052400	/nfs/dbraw/zinc/05/24/00/930052400.db2.gz	NGAKEDTUWAWXIA-GDQVSHSTSA-N	2	0	320.397	-1.070	20	0		DAADRP
O=C(CN1CC[NH2+]CC1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1	ZINC001549729819	930059904	/nfs/dbraw/zinc/05/99/04/930059904.db2.gz	CWOODBFPBISHHJ-CJNGLKHVSA-N	2	0	323.441	-1.345	20	0		DAADRP
CN1CC[C@@H]([NH+]2CCC(NC(=O)CN3CC[NH2+]CC3)CC2)C1=O	ZINC001550092810	930060039	/nfs/dbraw/zinc/06/00/39/930060039.db2.gz	NBVHTRHJRPTMCQ-CQSZACIVSA-N	2	0	323.441	-1.297	20	0		DAADRP
[NH3+]Cc1cn([C@@H]2CCCN(C(=O)CN3CC[NH2+]CC3)C2)nn1	ZINC001550063238	930061026	/nfs/dbraw/zinc/06/10/26/930061026.db2.gz	LLXOOBKTUNJFLM-CYBMUJFWSA-N	2	0	307.402	-1.195	20	0		DAADRP
O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@]12C[NH2+]C[C@@H]1COC2	ZINC001550086156	930061202	/nfs/dbraw/zinc/06/12/02/930061202.db2.gz	CGHSRUBXQZQGIR-QKCSRTOESA-N	2	0	306.370	-1.335	20	0		DAADRP
C[NH+]1CCN([C@@H]2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1	ZINC001550115550	930062531	/nfs/dbraw/zinc/06/25/31/930062531.db2.gz	BETCWOFXGDTPLE-ZIAGYGMSSA-N	2	0	323.441	-1.297	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)nn1	ZINC001552159245	930068680	/nfs/dbraw/zinc/06/86/80/930068680.db2.gz	VSLIVFMGEPZJAZ-CIQGVGRVSA-N	2	0	320.397	-1.342	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)nn1	ZINC001552089595	930069405	/nfs/dbraw/zinc/06/94/05/930069405.db2.gz	HTSFOEOOIOWGHK-HNCHTBHHSA-N	2	0	308.386	-1.215	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N[C@@H]2CCC[NH2+]C2)nn1	ZINC001552162145	930070154	/nfs/dbraw/zinc/07/01/54/930070154.db2.gz	WCTBXAKDWIXINX-NTZNESFSSA-N	2	0	308.386	-1.152	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N[C@@H]2CCC[NH2+]C2)nn1	ZINC001552162143	930070162	/nfs/dbraw/zinc/07/01/62/930070162.db2.gz	WCTBXAKDWIXINX-NQBHXWOUSA-N	2	0	308.386	-1.152	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N[C@H]2CCC[NH2+]C2)nn1	ZINC001552162141	930070608	/nfs/dbraw/zinc/07/06/08/930070608.db2.gz	WCTBXAKDWIXINX-GMXVVIOVSA-N	2	0	308.386	-1.152	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[NH2+][C@H](C)C2)nn1	ZINC001552163061	930070900	/nfs/dbraw/zinc/07/09/00/930070900.db2.gz	SNYOXFRXPZJVDJ-NTZNESFSSA-N	2	0	308.386	-1.200	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N[C@H]2CCC[NH2+]C2)nn1	ZINC001552162138	930070930	/nfs/dbraw/zinc/07/09/30/930070930.db2.gz	WCTBXAKDWIXINX-DMDPSCGWSA-N	2	0	308.386	-1.152	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N[C@@]2(C)CC[NH2+]C2)nn1	ZINC001552257966	930072805	/nfs/dbraw/zinc/07/28/05/930072805.db2.gz	PQCUMMVGRDGUDE-SUHUHFCYSA-N	2	0	308.386	-1.152	20	0		DAADRP
[NH3+][C@@H]1C[C@@H]2CN(C(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)CCN2C1=O	ZINC001552376083	930073243	/nfs/dbraw/zinc/07/32/43/930073243.db2.gz	OPYCCNBUWWPDOF-CKYFFXLPSA-N	2	0	318.381	-1.129	20	0		DAADRP
[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCOC3)C1	ZINC001553352705	930074452	/nfs/dbraw/zinc/07/44/52/930074452.db2.gz	DNXYTRWXNYJWFO-DVOMOZLQSA-N	2	0	324.425	-1.074	20	0		DAADRP
C[N@@H+]1CC[C@]2(C(=O)NCC(=O)N3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1	ZINC001553349155	930074490	/nfs/dbraw/zinc/07/44/90/930074490.db2.gz	CXCSUQDKTCXDQU-DOMZBBRYSA-N	3	0	309.414	-1.924	20	0		DAADRP
CN(CCN1CC[NH2+]CC1)C(=O)[C@]12C[NH2+]C[C@@H]1CN(C)CC2	ZINC001553354129	930074733	/nfs/dbraw/zinc/07/47/33/930074733.db2.gz	QPPJEARNQXLNAN-GDBMZVCRSA-N	2	0	309.458	-1.109	20	0		DAADRP
[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCOC3)C1	ZINC001553352711	930075655	/nfs/dbraw/zinc/07/56/55/930075655.db2.gz	DNXYTRWXNYJWFO-WWGRRREGSA-N	2	0	324.425	-1.074	20	0		DAADRP
O=C(NCCN1CC[NH2+]CC1)N[C@@H]1C[NH2+]CC12CCOCC2	ZINC001553493173	930076373	/nfs/dbraw/zinc/07/63/73/930076373.db2.gz	TXFDPEIMJNKWFD-CYBMUJFWSA-N	2	0	311.430	-1.041	20	0		DAADRP
C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1	ZINC000659689718	545750950	/nfs/dbraw/zinc/75/09/50/545750950.db2.gz	IUMIMBHCWNZMGY-LBPRGKRZSA-N	2	0	313.446	-1.147	20	0		DAADRP
CN(C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1C[NH2+]C[C@@H]1O	ZINC000419135597	545765933	/nfs/dbraw/zinc/76/59/33/545765933.db2.gz	LRJDNBMZFBVSRE-RNJOBUHISA-N	2	0	312.414	-1.234	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1	ZINC000419842031	545768867	/nfs/dbraw/zinc/76/88/67/545768867.db2.gz	LDCBHCJYGYOYDM-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21	ZINC000419451306	545768824	/nfs/dbraw/zinc/76/88/24/545768824.db2.gz	NCGARNKXPLAZBM-OLZOCXBDSA-N	2	0	312.414	-1.109	20	0		DAADRP
CN(C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)[C@H]1C[NH2+]C[C@@H]1O	ZINC000643591789	372768995	/nfs/dbraw/zinc/76/89/95/372768995.db2.gz	LCENIHVJSPAEOZ-HEHGZKQESA-N	2	0	324.425	-1.278	20	0		DAADRP
CC1(C)CN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCN1CCO	ZINC000643590001	372769080	/nfs/dbraw/zinc/76/90/80/372769080.db2.gz	KCEVNLHWCMHFHP-LBPRGKRZSA-N	2	0	312.414	-1.149	20	0		DAADRP
CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1	ZINC000383822142	372782115	/nfs/dbraw/zinc/78/21/15/372782115.db2.gz	QZWCMPNONIDZDT-NSHDSACASA-N	2	0	306.432	-1.335	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1	ZINC000642724547	372787603	/nfs/dbraw/zinc/78/76/03/372787603.db2.gz	VNSVBMYJBAVBDA-GFCCVEGCSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[N@H+](C)C1CC1	ZINC000642773400	372799728	/nfs/dbraw/zinc/79/97/28/372799728.db2.gz	WDTWLYQVFHRAMG-WCQYABFASA-N	2	0	311.430	-1.313	20	0		DAADRP
CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)[C@@H](C[NH3+])C1	ZINC000642785675	372809604	/nfs/dbraw/zinc/80/96/04/372809604.db2.gz	CRMXVKJDJANNPW-KGLIPLIRSA-N	2	0	323.441	-1.312	20	0		DAADRP
C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)[C@@H](C)C1	ZINC000557241990	372810843	/nfs/dbraw/zinc/81/08/43/372810843.db2.gz	TVYGPABVITXYCT-IHRRRGAJSA-N	2	0	313.446	-1.014	20	0		DAADRP
C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)[C@H](C)C1	ZINC000557241992	372812573	/nfs/dbraw/zinc/81/25/73/372812573.db2.gz	TVYGPABVITXYCT-RDBSUJKOSA-N	2	0	313.446	-1.014	20	0		DAADRP
CC[NH+]1CCN(CC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)CC1	ZINC000574768114	372870477	/nfs/dbraw/zinc/87/04/77/372870477.db2.gz	IYDLIBMAXVSOED-ZDUSSCGKSA-N	2	0	313.446	-1.194	20	0		DAADRP
C[NH2+][C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1	ZINC000567645090	372890374	/nfs/dbraw/zinc/89/03/74/372890374.db2.gz	HIBFDGZRISDXEL-ZDUSSCGKSA-N	3	0	313.446	-1.242	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1=O	ZINC000566924875	372881489	/nfs/dbraw/zinc/88/14/89/372881489.db2.gz	UELZQSNWVJRDDF-AGIUHOORSA-N	2	0	312.414	-1.470	20	0		DAADRP
C[C@H](NS(C)(=O)=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000081354852	372884635	/nfs/dbraw/zinc/88/46/35/372884635.db2.gz	KABUCNPIMKJPGA-NSHDSACASA-N	2	0	308.448	-1.124	20	0		DAADRP
C[C@@H](NS(C)(=O)=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000081354853	372885613	/nfs/dbraw/zinc/88/56/13/372885613.db2.gz	KABUCNPIMKJPGA-LLVKDONJSA-N	2	0	308.448	-1.124	20	0		DAADRP
CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC000627365690	372916754	/nfs/dbraw/zinc/91/67/54/372916754.db2.gz	WTMWLVDOORPLJW-RYUDHWBXSA-N	2	0	300.403	-1.063	20	0		DAADRP
COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1	ZINC000592557235	372973888	/nfs/dbraw/zinc/97/38/88/372973888.db2.gz	XBSPETJZXWNSBB-GHMZBOCLSA-N	2	0	312.370	-1.782	20	0		DAADRP
[NH3+][C@H]1C[C@@H]2CN(C(=O)CN3CCCC[C@@H]([NH3+])C3=O)CCN2C1=O	ZINC000594878120	372994141	/nfs/dbraw/zinc/99/41/41/372994141.db2.gz	NCSQZFQBUVHXEP-UTUOFQBUSA-N	2	0	323.397	-1.903	20	0		DAADRP
C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1	ZINC000595993585	373011397	/nfs/dbraw/zinc/01/13/97/373011397.db2.gz	SCVJXMIGDNABPG-WOPDTQHZSA-N	2	0	323.397	-2.081	20	0		DAADRP
CN(CC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1	ZINC000595983533	373009088	/nfs/dbraw/zinc/00/90/88/373009088.db2.gz	DPOZOTAWDIJVER-QWRGUYRKSA-N	2	0	311.386	-2.223	20	0		DAADRP
COCCCNC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1	ZINC000063179832	373060659	/nfs/dbraw/zinc/06/06/59/373060659.db2.gz	CEBPWIYJFMAVFR-LBPRGKRZSA-N	2	0	300.403	-1.074	20	0		DAADRP
COCCCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1	ZINC000063179834	373061071	/nfs/dbraw/zinc/06/10/71/373061071.db2.gz	CEBPWIYJFMAVFR-GFCCVEGCSA-N	2	0	300.403	-1.074	20	0		DAADRP
[NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CCN2C1=O	ZINC000602531995	373062774	/nfs/dbraw/zinc/06/27/74/373062774.db2.gz	YZADKSNDTOFVJF-LPWJVIDDSA-N	2	0	308.382	-1.380	20	0		DAADRP
[NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CCN2C1=O	ZINC000602531993	373063857	/nfs/dbraw/zinc/06/38/57/373063857.db2.gz	YZADKSNDTOFVJF-FDYHWXHSSA-N	2	0	308.382	-1.380	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1	ZINC000627380730	373071493	/nfs/dbraw/zinc/07/14/93/373071493.db2.gz	XFSXTCWRQKFEEM-ZDUSSCGKSA-N	2	0	312.414	-1.061	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C)CC1	ZINC000339638642	373128704	/nfs/dbraw/zinc/12/87/04/373128704.db2.gz	OBPVJRDVJLYPAE-UHFFFAOYSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)C(=O)NC1CC[NH+](C)CC1	ZINC000339639350	373128880	/nfs/dbraw/zinc/12/88/80/373128880.db2.gz	RDLXKRMRQSFDGF-UHFFFAOYSA-N	2	0	300.403	-1.109	20	0		DAADRP
CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1	ZINC000263260520	373144362	/nfs/dbraw/zinc/14/43/62/373144362.db2.gz	SIPMLFTVYXEXHV-OBJOEFQTSA-N	2	0	314.430	-1.001	20	0		DAADRP
CC[NH+]1CCN(CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1	ZINC000263256556	373145282	/nfs/dbraw/zinc/14/52/82/373145282.db2.gz	RBXNXMGEJDGHIQ-AWEZNQCLSA-N	2	0	313.446	-1.160	20	0		DAADRP
CC(C)(C[NH+]1CCOCC1)C(=O)NCC(=O)N1CC[NH2+]CC1	ZINC000637813714	373183323	/nfs/dbraw/zinc/18/33/23/373183323.db2.gz	RVKVORKZINZRCL-UHFFFAOYSA-N	2	0	312.414	-1.107	20	0		DAADRP
O[C@@H]1C[N@H+](Cc2ccc(C[NH+]3C[C@H](O)[C@@H](O)C3)cc2)C[C@@H]1O	ZINC000278708300	373190775	/nfs/dbraw/zinc/19/07/75/373190775.db2.gz	KBDWGVGZJWIHMF-YHUYYLMFSA-N	2	0	308.378	-1.239	20	0		DAADRP
O[C@@H]1C[NH+](Cc2ccccc2C[N@@H+]2C[C@@H](O)[C@@H](O)C2)C[C@H]1O	ZINC000278789386	373190956	/nfs/dbraw/zinc/19/09/56/373190956.db2.gz	OAKYOVSTIYZPRB-FPCVCCKLSA-N	2	0	308.378	-1.239	20	0		DAADRP
CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+]	ZINC000572137519	373328802	/nfs/dbraw/zinc/32/88/02/373328802.db2.gz	ZAQTYECAGNWNIB-OLZOCXBDSA-N	2	0	313.446	-1.066	20	0		DAADRP
CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+]	ZINC000571985904	373329304	/nfs/dbraw/zinc/32/93/04/373329304.db2.gz	LFWPQMNGUKYBFG-CHWSQXEVSA-N	2	0	313.446	-1.066	20	0		DAADRP
CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+]	ZINC000571985906	373329443	/nfs/dbraw/zinc/32/94/43/373329443.db2.gz	LFWPQMNGUKYBFG-QWHCGFSZSA-N	2	0	313.446	-1.066	20	0		DAADRP
O=C(CC[C@@H]1CC[NH2+]C1)NCC(=O)NCCN1CCOCC1	ZINC000261664782	373330660	/nfs/dbraw/zinc/33/06/60/373330660.db2.gz	AFOUUXXDFPJIOB-CYBMUJFWSA-N	2	0	312.414	-1.059	20	0		DAADRP
C[C@@H]1CN(CCN(C)C(=O)CN2CCNCC2=O)C[C@H](C)O1	ZINC000571998696	373328424	/nfs/dbraw/zinc/32/84/24/373328424.db2.gz	UYETVOZCDJCMKB-BETUJISGSA-N	2	0	312.414	-1.014	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)C(=O)N(C)CC[NH+]1CCCC1	ZINC000629794492	373404914	/nfs/dbraw/zinc/40/49/14/373404914.db2.gz	PRYXTPYSKAOTIK-UHFFFAOYSA-N	2	0	300.403	-1.026	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)C(=O)N(C)CC[N@H+](C)C1CC1	ZINC000629803851	373407588	/nfs/dbraw/zinc/40/75/88/373407588.db2.gz	VLNJIQVIMWJUBW-UHFFFAOYSA-N	2	0	300.403	-1.027	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000629820096	373413235	/nfs/dbraw/zinc/41/32/35/373413235.db2.gz	WNTKHUPAYZSTCX-CYBMUJFWSA-N	2	0	310.398	-1.107	20	0		DAADRP
COCC[N@H+](C)C[C@@H](O)Cn1cc(CN2CC[NH2+]CC2)nn1	ZINC000641224071	373420221	/nfs/dbraw/zinc/42/02/21/373420221.db2.gz	SPAWNYDSYXYVMY-CQSZACIVSA-N	2	0	312.418	-1.378	20	0		DAADRP
COCC[N@H+](C)C[C@H](O)Cn1cc(CN2CC[NH2+]CC2)nn1	ZINC000641224067	373420289	/nfs/dbraw/zinc/42/02/89/373420289.db2.gz	SPAWNYDSYXYVMY-AWEZNQCLSA-N	2	0	312.418	-1.378	20	0		DAADRP
NS(=O)(=O)CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000641797266	373427077	/nfs/dbraw/zinc/42/70/77/373427077.db2.gz	ZVMMZQOPOPZSPS-GFCCVEGCSA-N	2	0	318.443	-1.191	20	0		DAADRP
CC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)CCOCC[NH3+])CC1	ZINC000629579729	373400541	/nfs/dbraw/zinc/40/05/41/373400541.db2.gz	QDVVGCAHRUQAAK-LBPRGKRZSA-N	2	0	300.403	-1.027	20	0		DAADRP
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+]	ZINC000642114153	373438013	/nfs/dbraw/zinc/43/80/13/373438013.db2.gz	GQYBLMQTELEUSP-OLZOCXBDSA-N	2	0	313.446	-1.066	20	0		DAADRP
CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+]	ZINC000642114154	373438234	/nfs/dbraw/zinc/43/82/34/373438234.db2.gz	GQYBLMQTELEUSP-QWHCGFSZSA-N	2	0	313.446	-1.066	20	0		DAADRP
CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)C[C@H]1C[NH2+]CCO1	ZINC000631901581	373439783	/nfs/dbraw/zinc/43/97/83/373439783.db2.gz	IIUPNHCRUBSZNN-LLVKDONJSA-N	2	0	320.415	-2.332	20	0		DAADRP
C[NH2+]C[C@H](C)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000627120734	373452784	/nfs/dbraw/zinc/45/27/84/373452784.db2.gz	TVDMTUQVMHMPKM-LBPRGKRZSA-N	2	0	312.418	-1.053	20	0		DAADRP
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)C[C@H](O)C[NH3+])C1	ZINC000566302760	373526805	/nfs/dbraw/zinc/52/68/05/373526805.db2.gz	UIHJXVKXJGRWOO-KGLIPLIRSA-N	3	0	316.446	-1.289	20	0		DAADRP
O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000529336944	373485968	/nfs/dbraw/zinc/48/59/68/373485968.db2.gz	DCUDKRMROCGIJL-ITGUQSILSA-N	2	0	322.413	-1.443	20	0		DAADRP
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC1C[NH2+]C1	ZINC000567716871	373538290	/nfs/dbraw/zinc/53/82/90/373538290.db2.gz	QCXRTFSKHCASQX-NSHDSACASA-N	2	0	310.398	-1.214	20	0		DAADRP
C[NH+](C)CCCN1C(=O)C[C@H]([NH2+]CCN2CCOCC2)C1=O	ZINC000567910962	373539853	/nfs/dbraw/zinc/53/98/53/373539853.db2.gz	JWVSIZSNCKJVTA-ZDUSSCGKSA-N	2	0	312.414	-1.013	20	0		DAADRP
O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000579731111	373594348	/nfs/dbraw/zinc/59/43/48/373594348.db2.gz	GREAEQPFGPTXEK-HOCLYGCPSA-N	2	0	308.426	-1.051	20	0		DAADRP
CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@H](C[NH3+])C1	ZINC000568373619	373546627	/nfs/dbraw/zinc/54/66/27/373546627.db2.gz	OVUIEYBKOBQGIJ-DGCLKSJQSA-N	2	0	309.414	-1.559	20	0		DAADRP
O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@H]1C[N@@H+]2CCN1CCC2	ZINC000579731112	373595070	/nfs/dbraw/zinc/59/50/70/373595070.db2.gz	GREAEQPFGPTXEK-ZBFHGGJFSA-N	2	0	308.426	-1.051	20	0		DAADRP
COC(=O)CN(C)C(=O)CC[N@H+](C)CC(=O)N1CC[NH2+]CC1	ZINC000573445478	373553010	/nfs/dbraw/zinc/55/30/10/373553010.db2.gz	XNIGPPWGUXKCND-UHFFFAOYSA-N	2	0	314.386	-1.629	20	0		DAADRP
COCC[N@H+](C)C[C@@H](O)CN1CCC[C@H](CS(N)(=O)=O)C1	ZINC000573742590	373555251	/nfs/dbraw/zinc/55/52/51/373555251.db2.gz	ZBUPNYMVEHLLTF-QWHCGFSZSA-N	2	0	323.459	-1.074	20	0		DAADRP
NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1	ZINC000574452543	373561446	/nfs/dbraw/zinc/56/14/46/373561446.db2.gz	BRCKSQXHUBIJEO-NSHDSACASA-N	2	0	304.416	-1.439	20	0		DAADRP
COCC[N@H+](C)C[C@H](O)CN1CC[C@@H]2OCC(=O)N[C@H]2C1	ZINC000575999410	373567500	/nfs/dbraw/zinc/56/75/00/373567500.db2.gz	GKFDUYQCZQAOAG-AVGNSLFASA-N	2	0	301.387	-1.485	20	0		DAADRP
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+]	ZINC000577208869	373572988	/nfs/dbraw/zinc/57/29/88/373572988.db2.gz	PIXGXNMWVBFHPE-KWCYVHTRSA-N	2	0	323.441	-1.313	20	0		DAADRP
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+]	ZINC000577208868	373573671	/nfs/dbraw/zinc/57/36/71/373573671.db2.gz	PIXGXNMWVBFHPE-BNOWGMLFSA-N	2	0	323.441	-1.313	20	0		DAADRP
C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C[N@@H+]1C1CC1	ZINC000627349168	373657173	/nfs/dbraw/zinc/65/71/73/373657173.db2.gz	FGNKRGVBPFJLPP-WOPDTQHZSA-N	2	0	310.398	-1.168	20	0		DAADRP
C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C[NH2+]1	ZINC000627312773	373644153	/nfs/dbraw/zinc/64/41/53/373644153.db2.gz	IKGSIHSUSHYUMT-AGIUHOORSA-N	2	0	311.430	-1.395	20	0		DAADRP
C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1(C)C	ZINC000627334448	373649034	/nfs/dbraw/zinc/64/90/34/373649034.db2.gz	QZDYONFLGKVKMS-GFCCVEGCSA-N	2	0	311.430	-1.393	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC000627353317	373658686	/nfs/dbraw/zinc/65/86/86/373658686.db2.gz	YXGKHYNCPOJXJG-NSHDSACASA-N	2	0	302.375	-2.215	20	0		DAADRP
CCN(CC[NH3+])C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1	ZINC000627339098	373650933	/nfs/dbraw/zinc/65/09/33/373650933.db2.gz	ZAWVWJNVJVWTBT-UHFFFAOYSA-N	2	0	313.446	-1.064	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1	ZINC000621839289	373652039	/nfs/dbraw/zinc/65/20/39/373652039.db2.gz	QNJMUNDZEXXMMU-ZENOOKHLSA-N	2	0	323.441	-1.312	20	0		DAADRP
[NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[N@@H+]3C[C@H](O)C[C@H]3C1)C2	ZINC000622031105	373653052	/nfs/dbraw/zinc/65/30/52/373653052.db2.gz	HNVSHZBNWDJRHL-IATRGZMQSA-N	2	0	322.409	-1.396	20	0		DAADRP
CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC000627346553	373653998	/nfs/dbraw/zinc/65/39/98/373653998.db2.gz	VWOXPHFABGMZRN-LBPRGKRZSA-N	2	0	300.403	-1.061	20	0		DAADRP
[NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[N@@H+]3C[C@H](O)C[C@H]3C1)C2	ZINC000622031106	373654167	/nfs/dbraw/zinc/65/41/67/373654167.db2.gz	HNVSHZBNWDJRHL-JFILPPLUSA-N	2	0	322.409	-1.396	20	0		DAADRP
C[C@@H](NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C1CC[NH+](C)CC1	ZINC000627352586	373656166	/nfs/dbraw/zinc/65/61/66/373656166.db2.gz	BGAYPOJGSQHZDW-DGCLKSJQSA-N	2	0	312.414	-1.063	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC000627353316	373657063	/nfs/dbraw/zinc/65/70/63/373657063.db2.gz	YXGKHYNCPOJXJG-LLVKDONJSA-N	2	0	302.375	-2.215	20	0		DAADRP
CN(C)C(=O)CC[NH+]1CCC(Nc2nc(N)[nH+]c(N)n2)CC1	ZINC000623957723	373662526	/nfs/dbraw/zinc/66/25/26/373662526.db2.gz	SBRAPXDMFQLVBO-UHFFFAOYSA-N	2	0	308.390	-1.527	20	0		DAADRP
CC(C)C[C@H](Nc1nc(N)[nH+]c(N)n1)C(=O)NCC[NH+](C)C	ZINC000624068390	373664920	/nfs/dbraw/zinc/66/49/20/373664920.db2.gz	UNLYSFXNFGTWIU-VIFPVBQESA-N	2	0	310.406	-1.377	20	0		DAADRP
Nc1nc(NCC(=O)NCC[NH+]2CCCCCC2)nc(N)[nH+]1	ZINC000624243898	373667240	/nfs/dbraw/zinc/66/72/40/373667240.db2.gz	CUYQKTZLNDKICV-UHFFFAOYSA-N	2	0	308.390	-1.477	20	0		DAADRP
COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C	ZINC000627361614	373670844	/nfs/dbraw/zinc/67/08/44/373670844.db2.gz	SSZPKBRZCJCXEN-NWDGAFQWSA-N	2	0	300.403	-1.063	20	0		DAADRP
CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1	ZINC000627473377	373682663	/nfs/dbraw/zinc/68/26/63/373682663.db2.gz	MHOKKXJJHSWCPJ-QWHCGFSZSA-N	2	0	312.414	-1.109	20	0		DAADRP
CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1	ZINC000627475676	373684882	/nfs/dbraw/zinc/68/48/82/373684882.db2.gz	RYDBCKSIWMXRKY-OLZOCXBDSA-N	2	0	312.414	-1.061	20	0		DAADRP
CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCN(C)C[C@@H]1C[NH3+]	ZINC000631907163	373697182	/nfs/dbraw/zinc/69/71/82/373697182.db2.gz	FDDHJRUBMHXARR-LBPRGKRZSA-N	2	0	305.448	-1.510	20	0		DAADRP
CN(CCC[NH+](C)C)CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1	ZINC000631950601	373703226	/nfs/dbraw/zinc/70/32/26/373703226.db2.gz	LXYFQYTUHINZBK-CYBMUJFWSA-N	2	0	322.475	-1.222	20	0		DAADRP
C[NH+](C)CCn1cc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cn1	ZINC000633025818	373725769	/nfs/dbraw/zinc/72/57/69/373725769.db2.gz	QQXNISNGKKMSCP-JQWIXIFHSA-N	2	0	306.370	-1.044	20	0		DAADRP
C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1	ZINC000633090599	373729482	/nfs/dbraw/zinc/72/94/82/373729482.db2.gz	FBFZHWUTBIKNOZ-JSGCOSHPSA-N	2	0	324.425	-1.136	20	0		DAADRP
O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000633111194	373730253	/nfs/dbraw/zinc/73/02/53/373730253.db2.gz	NJBOTEOEVXJLIY-QNWHQSFQSA-N	2	0	308.382	-1.773	20	0		DAADRP
[NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC000633112391	373731401	/nfs/dbraw/zinc/73/14/01/373731401.db2.gz	YUXDVGZCHKESFS-HZSPNIEDSA-N	2	0	324.425	-1.006	20	0		DAADRP
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCOCC[NH+](C)C	ZINC000627393580	545828841	/nfs/dbraw/zinc/82/88/41/545828841.db2.gz	DBKFKQSTDZTHIS-NWDGAFQWSA-N	2	0	300.403	-1.063	20	0		DAADRP
CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000627398912	545831099	/nfs/dbraw/zinc/83/10/99/545831099.db2.gz	ZFOZVPKUWSEDKC-CYBMUJFWSA-N	2	0	313.446	-1.207	20	0		DAADRP
CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000342069924	545846107	/nfs/dbraw/zinc/84/61/07/545846107.db2.gz	OFEJPQHPDYBDQP-UHFFFAOYSA-N	2	0	310.402	-0.597	20	0		DAADRP
C[NH+](C)CCOCC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCNC2=O)C1	ZINC001193488966	782006095	/nfs/dbraw/zinc/00/60/95/782006095.db2.gz	QRXHCUDEIJXWRX-STQMWFEESA-N	2	0	312.414	-1.014	20	0		DAADRP
C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1	ZINC001193487509	782006273	/nfs/dbraw/zinc/00/62/73/782006273.db2.gz	AHLIJIQYBJCZKG-VXGBXAGGSA-N	2	0	300.403	-1.029	20	0		DAADRP
C[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1	ZINC001193487506	782006579	/nfs/dbraw/zinc/00/65/79/782006579.db2.gz	AHLIJIQYBJCZKG-NEPJUHHUSA-N	2	0	300.403	-1.029	20	0		DAADRP
O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1C[C@H](O)C[NH2+]1	ZINC000648131050	409322323	/nfs/dbraw/zinc/32/23/23/409322323.db2.gz	WSBLSKKGLOTAGR-AEJSXWLSSA-N	2	0	310.320	-1.339	20	0		DAADRP
C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC[N@@H+]1CC[C@H](O)C1	ZINC000636746314	409385885	/nfs/dbraw/zinc/38/58/85/409385885.db2.gz	GPNRJIZTIWPAGC-KGLIPLIRSA-N	2	0	313.446	-1.012	20	0		DAADRP
COC(=O)[C@@H]1CN(CC(=O)N2CCN(C)CC2)CC[N@H+](C)C1	ZINC000411901294	409397951	/nfs/dbraw/zinc/39/79/51/409397951.db2.gz	GFPYNYSRQCOPBV-ZDUSSCGKSA-N	2	0	312.414	-1.203	20	0		DAADRP
CN(CC[NH+](C)C)C(=O)C(=O)NCC1CC[NH+](CCO)CC1	ZINC000344640626	409431477	/nfs/dbraw/zinc/43/14/77/409431477.db2.gz	MFKJWUGAOZFSDM-UHFFFAOYSA-N	2	0	314.430	-1.173	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1	ZINC000355151328	409483939	/nfs/dbraw/zinc/48/39/39/409483939.db2.gz	SUXKXFXOIIZJLO-OCCSQVGLSA-N	2	0	323.441	-1.299	20	0		DAADRP
C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C[N@@H+]1C1CC1	ZINC000516434826	409557174	/nfs/dbraw/zinc/55/71/74/409557174.db2.gz	PMAXWOCXCXDDAC-YRGRVCCFSA-N	2	0	323.441	-1.171	20	0		DAADRP
C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C[N@@H+]1C1CC1	ZINC000516434823	409559134	/nfs/dbraw/zinc/55/91/34/409559134.db2.gz	PMAXWOCXCXDDAC-DYEKYZERSA-N	2	0	323.441	-1.171	20	0		DAADRP
CN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)[C@@H](C[NH3+])C1	ZINC000516027566	409559212	/nfs/dbraw/zinc/55/92/12/409559212.db2.gz	NWJRGSLLPSBWQA-LBPRGKRZSA-N	2	0	311.430	-1.312	20	0		DAADRP
CCN1CCOC[C@@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1	ZINC000373216269	409515363	/nfs/dbraw/zinc/51/53/63/409515363.db2.gz	MUXLIAJYVASTRE-CYBMUJFWSA-N	2	0	312.414	-1.061	20	0		DAADRP
C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC	ZINC000659700936	409527270	/nfs/dbraw/zinc/52/72/70/409527270.db2.gz	XBGABOBWUMABPD-VXGBXAGGSA-N	2	0	300.403	-1.063	20	0		DAADRP
CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1	ZINC000659738183	409532084	/nfs/dbraw/zinc/53/20/84/409532084.db2.gz	BEQLPUSKJBSGLM-OLZOCXBDSA-N	2	0	311.430	-1.312	20	0		DAADRP
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[C@H](O)C[NH2+]1	ZINC000432532897	409569243	/nfs/dbraw/zinc/56/92/43/409569243.db2.gz	WCFORBFNTCSUGC-YNEHKIRRSA-N	2	0	312.414	-1.232	20	0		DAADRP
C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CCOC)CC[NH+](C)C)C1	ZINC000423259991	409546169	/nfs/dbraw/zinc/54/61/69/409546169.db2.gz	GJJWEGREELIBAW-GFCCVEGCSA-N	2	0	300.403	-1.157	20	0		DAADRP
CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)CC(=O)N2CC[NH2+]CC2)C1	ZINC000422750461	409548283	/nfs/dbraw/zinc/54/82/83/409548283.db2.gz	AYQCPMURDUIWAZ-CYBMUJFWSA-N	2	0	312.414	-1.014	20	0		DAADRP
O=C(CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CC[NH2+]CC1	ZINC000646637929	409624041	/nfs/dbraw/zinc/62/40/41/409624041.db2.gz	CDHXYQHQSJFEQB-JTQLQIEISA-N	2	0	306.370	-1.352	20	0		DAADRP
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+]C(CO)CO)C1	ZINC000516934993	409628237	/nfs/dbraw/zinc/62/82/37/409628237.db2.gz	GNJLTXOHVFAODK-CYBMUJFWSA-N	2	0	303.403	-1.598	20	0		DAADRP
O[C@@H]1C[C@H]2CN(CCCN3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC[NH+]2C1	ZINC000653829731	409635353	/nfs/dbraw/zinc/63/53/53/409635353.db2.gz	UYMYDXCAXMDMLG-MWDXBVQZSA-N	2	0	324.469	-1.122	20	0		DAADRP
CN1CC[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)S1(=O)=O	ZINC000648770481	409637110	/nfs/dbraw/zinc/63/71/10/409637110.db2.gz	IOTISRGBFNWTGY-GFCCVEGCSA-N	2	0	320.459	-1.028	20	0		DAADRP
C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)C1	ZINC000659731502	409699352	/nfs/dbraw/zinc/69/93/52/409699352.db2.gz	KTYJMACHAKPSNA-KBPBESRZSA-N	2	0	323.441	-1.297	20	0		DAADRP
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2	ZINC000649072688	409647928	/nfs/dbraw/zinc/64/79/28/409647928.db2.gz	HFNTURGGXOZWLU-ZIAGYGMSSA-N	2	0	323.441	-1.045	20	0		DAADRP
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000649072686	409649240	/nfs/dbraw/zinc/64/92/40/409649240.db2.gz	HFNTURGGXOZWLU-KGLIPLIRSA-N	2	0	323.441	-1.045	20	0		DAADRP
O=C(CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH2+]CC1	ZINC000655961108	409673409	/nfs/dbraw/zinc/67/34/09/409673409.db2.gz	GQYULLANCYWOAR-NWDGAFQWSA-N	2	0	311.386	-2.121	20	0		DAADRP
COCC[N@H+](C)CCCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000659703426	409689986	/nfs/dbraw/zinc/68/99/86/409689986.db2.gz	BUXARRWMCVEUAT-UHFFFAOYSA-N	2	0	312.414	-1.061	20	0		DAADRP
[NH3+][C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1F	ZINC000662964403	409721995	/nfs/dbraw/zinc/72/19/95/409721995.db2.gz	AKFKDHLIHBWBSD-IRCOFANPSA-N	2	0	314.361	-1.839	20	0		DAADRP
C[NH2+]C[C@@H](C)NC(=O)[C@@]1(CC(=O)N[C@@H](C)C[NH2+]C)CC[NH2+]C1	ZINC000662965229	409722077	/nfs/dbraw/zinc/72/20/77/409722077.db2.gz	INCLULCWYYXVAT-YWPYICTPSA-N	3	0	313.446	-1.196	20	0		DAADRP
C[NH+]1CCN(c2cc(CNC(=O)C3(O)C[NH2+]C3)ccn2)CC1	ZINC000662758238	409719308	/nfs/dbraw/zinc/71/93/08/409719308.db2.gz	OZRIFQBEDPWSIK-UHFFFAOYSA-N	2	0	305.382	-1.216	20	0		DAADRP
Nc1nc(-n2cccn2)cc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[nH+]1	ZINC000581677713	409809599	/nfs/dbraw/zinc/80/95/99/409809599.db2.gz	LALHJFWNKQEMKJ-VHSXEESVSA-N	2	0	314.353	-1.007	20	0		DAADRP
COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1	ZINC001193766828	782015923	/nfs/dbraw/zinc/01/59/23/782015923.db2.gz	YUQRVYWFUNFSSL-JHJVBQTASA-N	2	0	315.414	-1.361	20	0		DAADRP
COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1	ZINC001193961518	782021791	/nfs/dbraw/zinc/02/17/91/782021791.db2.gz	SXODHOSFOBTYGD-DGAVXFQQSA-N	2	0	317.430	-1.259	20	0		DAADRP
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1C[NH2+]CCO1	ZINC000332177282	262515916	/nfs/dbraw/zinc/51/59/16/262515916.db2.gz	UNBSZZOMEDOLEU-JHJVBQTASA-N	2	0	310.398	-1.214	20	0		DAADRP
C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1	ZINC000423474534	263219974	/nfs/dbraw/zinc/21/99/74/263219974.db2.gz	REXWHWFWKABOPP-GFCCVEGCSA-N	2	0	314.430	-1.032	20	0		DAADRP
CC(C)Nc1nc(NC[C@@H]2C[NH2+]CCN2C)nc(NCCO)[nH+]1	ZINC000420269105	263222115	/nfs/dbraw/zinc/22/21/15/263222115.db2.gz	ICXHJZUETCKJGT-NSHDSACASA-N	2	0	324.433	-2.323	20	0		DAADRP
C[NH2+]CCN(C)C(=O)C[C@@]1(C(=O)N(C)CC[NH2+]C)CC[NH2+]C1	ZINC000371404404	263224747	/nfs/dbraw/zinc/22/47/47/263224747.db2.gz	NIABEZPAOSPDSL-HNNXBMFYSA-N	3	0	313.446	-1.288	20	0		DAADRP
C[C@@H]1CN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C[C@@H](C(N)=O)O1	ZINC000346834662	263225364	/nfs/dbraw/zinc/22/53/64/263225364.db2.gz	SRXVIEJWVHMDIN-MXWKQRLJSA-N	2	0	312.370	-1.750	20	0		DAADRP
[NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(CC3CC3)CC2)CCO1	ZINC000514825108	263230103	/nfs/dbraw/zinc/23/01/03/263230103.db2.gz	RTCHDDIZQLPFJA-CYBMUJFWSA-N	2	0	310.398	-1.273	20	0		DAADRP
O=C([C@@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1)N1CC[NH2+]CC1	ZINC000430651301	263233923	/nfs/dbraw/zinc/23/39/23/263233923.db2.gz	LLFFTKXESQRFCY-GFCCVEGCSA-N	2	0	323.397	-1.318	20	0		DAADRP
CC[N@H+](CCO)CCNC(=O)NC[C@@H]1C[NH+](C)CCN1C	ZINC000347174783	263239026	/nfs/dbraw/zinc/23/90/26/263239026.db2.gz	WPQQSTIVGIGNPR-CYBMUJFWSA-N	2	0	301.435	-1.154	20	0		DAADRP
COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C1	ZINC000419702781	263246325	/nfs/dbraw/zinc/24/63/25/263246325.db2.gz	BYPJGTOSSOUXJG-RWMBFGLXSA-N	2	0	312.414	-1.063	20	0		DAADRP
C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1C[NH2+]CCO1	ZINC000332177281	263250482	/nfs/dbraw/zinc/25/04/82/263250482.db2.gz	UNBSZZOMEDOLEU-FRRDWIJNSA-N	2	0	310.398	-1.214	20	0		DAADRP
COCCN1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)C[C@H]1C	ZINC000332335603	263251152	/nfs/dbraw/zinc/25/11/52/263251152.db2.gz	OPJMHVNRDNXVET-CYBMUJFWSA-N	2	0	312.414	-1.013	20	0		DAADRP
CN(C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1C[NH2+]C[C@@H]1O	ZINC000331438489	263253608	/nfs/dbraw/zinc/25/36/08/263253608.db2.gz	BCEHPKQCBVNUPJ-NDBYEHHHSA-N	2	0	310.398	-1.480	20	0		DAADRP
CN(CC[NH+](C)C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000514585377	263264983	/nfs/dbraw/zinc/26/49/83/263264983.db2.gz	CLCMFERZQNROMF-UHFFFAOYSA-N	3	0	315.462	-1.042	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CCN1CC(C)(C)O	ZINC000423466429	263268948	/nfs/dbraw/zinc/26/89/48/263268948.db2.gz	NOIISJDGRMQFCQ-NEPJUHHUSA-N	2	0	312.414	-1.150	20	0		DAADRP
O=C(CN1CCC[C@@H](N2CCNCC2=O)C1)NC(=O)NC1CC1	ZINC000362828039	263282321	/nfs/dbraw/zinc/28/23/21/263282321.db2.gz	VLPYCVBTRNWUQR-GFCCVEGCSA-N	2	0	323.397	-1.129	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]([NH3+])C1CC1	ZINC000419856770	263284420	/nfs/dbraw/zinc/28/44/20/263284420.db2.gz	FTCBMVMLXVCSAM-LBPRGKRZSA-N	2	0	300.403	-1.124	20	0		DAADRP
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1	ZINC000418914482	263289034	/nfs/dbraw/zinc/28/90/34/263289034.db2.gz	FSUYFIDPNTXOPK-OLZOCXBDSA-N	2	0	312.414	-1.063	20	0		DAADRP
C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)C[C@@H]1C	ZINC000332249023	263290080	/nfs/dbraw/zinc/29/00/80/263290080.db2.gz	AAYOYINABODJRO-QWHCGFSZSA-N	2	0	312.414	-1.278	20	0		DAADRP
O=C(CN1CCNCC1=O)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000431016438	263297982	/nfs/dbraw/zinc/29/79/82/263297982.db2.gz	JUHIENRNWBGRCV-CYBMUJFWSA-N	2	0	310.398	-1.401	20	0		DAADRP
COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C1	ZINC000343928734	263298164	/nfs/dbraw/zinc/29/81/64/263298164.db2.gz	WKPCKAKZIYKZLU-LBPRGKRZSA-N	2	0	300.403	-1.157	20	0		DAADRP
COC(=O)CCN1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])[C@@H](C)C1	ZINC000420020874	263298266	/nfs/dbraw/zinc/29/82/66/263298266.db2.gz	GLMMLUBTSFKJGW-QWRGUYRKSA-N	2	0	314.386	-1.454	20	0		DAADRP
C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CCO1	ZINC000423287690	263299874	/nfs/dbraw/zinc/29/98/74/263299874.db2.gz	NWCYMWXMKRGRIC-LBPRGKRZSA-N	2	0	312.414	-1.014	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)C[C@H](C)[NH2+]1	ZINC000419774463	263309278	/nfs/dbraw/zinc/30/92/78/263309278.db2.gz	JUVZDOTTZWSCFI-TXEJJXNPSA-N	2	0	300.403	-1.110	20	0		DAADRP
CN(C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[C@H]1C[NH2+]C[C@@H]1O	ZINC000331718716	263310845	/nfs/dbraw/zinc/31/08/45/263310845.db2.gz	HOBOXRXDEGMHNS-RDBSUJKOSA-N	2	0	324.425	-1.136	20	0		DAADRP
O=C(CN1CCNCC1=O)Nc1ccc(N2CC[NH2+]CC2)cn1	ZINC000429046090	263314044	/nfs/dbraw/zinc/31/40/44/263314044.db2.gz	LQYJHRPJZIVZDU-UHFFFAOYSA-N	2	0	318.381	-1.139	20	0		DAADRP
CNc1nc(NC[C@@H](C)[NH+](C)C)nc(NC[C@@H](C)[NH+](C)C)n1	ZINC000443447274	263314056	/nfs/dbraw/zinc/31/40/56/263314056.db2.gz	RBOWIWCQWQEEKS-GHMZBOCLSA-N	3	0	310.450	-1.097	20	0		DAADRP
C[C@H]1OCCN[C@@H]1C(=O)N1CCC[C@H](N2CCNCC2=O)C1	ZINC000262200557	263318664	/nfs/dbraw/zinc/31/86/64/263318664.db2.gz	ICRJAFRDAGFWHK-DYEKYZERSA-N	2	0	310.398	-1.214	20	0		DAADRP
C[NH+](C)CCNC(=O)C[C@@]1(C(=O)NCC[NH+](C)C)CC[NH2+]C1	ZINC000368596281	289160906	/nfs/dbraw/zinc/16/09/06/289160906.db2.gz	CGJFQUIUZVPQKV-HNNXBMFYSA-N	3	0	313.446	-1.288	20	0		DAADRP
COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1	ZINC001195701913	782076987	/nfs/dbraw/zinc/07/69/87/782076987.db2.gz	SYXKFLYFSKLWHQ-JHJVBQTASA-N	2	0	303.403	-1.503	20	0		DAADRP
CN1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)[C@@H](C[NH3+])C1	ZINC000569359812	332049263	/nfs/dbraw/zinc/04/92/63/332049263.db2.gz	ROIWKOPMTDKORA-NEPJUHHUSA-N	2	0	307.402	-1.255	20	0		DAADRP
CN1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)[C@@H](C[NH3+])C1	ZINC000569919313	332692339	/nfs/dbraw/zinc/69/23/39/332692339.db2.gz	ZAAVZUUDXLCSAV-KGLIPLIRSA-N	2	0	321.425	-1.440	20	0		DAADRP
CN1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)[C@@H](C[NH3+])C1	ZINC000569919310	332692357	/nfs/dbraw/zinc/69/23/57/332692357.db2.gz	ZAAVZUUDXLCSAV-KBPBESRZSA-N	2	0	321.425	-1.440	20	0		DAADRP
COC(=O)CCNC(=O)CN(C)CC(=O)N1CC[NH2+]CC1	ZINC000563153297	333398182	/nfs/dbraw/zinc/39/81/82/333398182.db2.gz	KCDMYUPKUWWWKH-UHFFFAOYSA-N	2	0	300.359	-1.971	20	0		DAADRP
Cn1[nH]c(CN2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)nc1=O	ZINC000563153305	333398239	/nfs/dbraw/zinc/39/82/39/333398239.db2.gz	PGDRBUWEQFJZMO-LLVKDONJSA-N	2	0	308.386	-1.248	20	0		DAADRP
CN1CC[NH2+]C[C@@H]1CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1	ZINC000584470849	337345129	/nfs/dbraw/zinc/34/51/29/337345129.db2.gz	MDWDYWUCHNOODT-NWDGAFQWSA-N	2	0	307.402	-1.164	20	0		DAADRP
COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCC[NH3+])CC1	ZINC000419823926	337492475	/nfs/dbraw/zinc/49/24/75/337492475.db2.gz	YWZQAZIZLCOODH-UHFFFAOYSA-N	2	0	307.354	-1.186	20	0		DAADRP
C[NH2+][C@H]1CCN(C(=O)C(=O)N(CCOC)CC[NH+](C)C)C1	ZINC000423259992	337707844	/nfs/dbraw/zinc/70/78/44/337707844.db2.gz	GJJWEGREELIBAW-LBPRGKRZSA-N	2	0	300.403	-1.157	20	0		DAADRP
CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC000566250268	341552033	/nfs/dbraw/zinc/55/20/33/341552033.db2.gz	CWOZEKQUXYMFPM-OCCSQVGLSA-N	2	0	311.430	-1.408	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1=O	ZINC000576282782	341838062	/nfs/dbraw/zinc/83/80/62/341838062.db2.gz	SSLRYZOSLIGTSG-OLZOCXBDSA-N	2	0	312.414	-1.027	20	0		DAADRP
CC[NH+](CC)CC(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@H]1O	ZINC001197057712	782122691	/nfs/dbraw/zinc/12/26/91/782122691.db2.gz	HJBRPZYYRXMCIJ-JHJVBQTASA-N	2	0	314.430	-1.034	20	0		DAADRP
COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC001197819862	782141973	/nfs/dbraw/zinc/14/19/73/782141973.db2.gz	PJNPTRVMCRYLCL-JHJVBQTASA-N	2	0	313.398	-1.749	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O	ZINC001198699684	782160224	/nfs/dbraw/zinc/16/02/24/782160224.db2.gz	WSHCYDSBDFEQLO-MGPQQGTHSA-N	2	0	315.414	-1.502	20	0		DAADRP
CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000394460423	545644850	/nfs/dbraw/zinc/64/48/50/545644850.db2.gz	QAOUENYHQKSYES-OCCSQVGLSA-N	2	0	311.430	-1.408	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1	ZINC000672004378	545656966	/nfs/dbraw/zinc/65/69/66/545656966.db2.gz	BLGCQCUDLQJZRX-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[C@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1C	ZINC000351553049	545722309	/nfs/dbraw/zinc/72/23/09/545722309.db2.gz	CWVDLUMAPDFNJM-AGIUHOORSA-N	2	0	312.414	-1.232	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1	ZINC000419355012	545765839	/nfs/dbraw/zinc/76/58/39/545765839.db2.gz	LRCLVYCYACUQLA-TXEJJXNPSA-N	2	0	300.403	-1.110	20	0		DAADRP
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])C1	ZINC000418926947	545766376	/nfs/dbraw/zinc/76/63/76/545766376.db2.gz	SDNPRSJANZCFBE-RYUDHWBXSA-N	2	0	300.403	-1.077	20	0		DAADRP
C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCOCC[NH+](C)C	ZINC000419779230	545768442	/nfs/dbraw/zinc/76/84/42/545768442.db2.gz	PJOWHKREUAGUAM-NWDGAFQWSA-N	2	0	300.403	-1.110	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CNC(=O)C[NH3+])CC1	ZINC000645950432	545788224	/nfs/dbraw/zinc/78/82/24/545788224.db2.gz	QGLQXUVFIJOISY-ZDUSSCGKSA-N	2	0	311.430	-1.310	20	0		DAADRP
CN1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@H](C[NH3+])C1	ZINC000162668302	545799232	/nfs/dbraw/zinc/79/92/32/545799232.db2.gz	JOWFQSYTEPHJHI-LLVKDONJSA-N	2	0	316.365	-1.107	20	0		DAADRP
O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21	ZINC000649335456	545801927	/nfs/dbraw/zinc/80/19/27/545801927.db2.gz	DHIVQXOYBBXMNR-BYNSBNAKSA-N	2	0	308.426	-1.026	20	0		DAADRP
[NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656023133	545811212	/nfs/dbraw/zinc/81/12/12/545811212.db2.gz	WGXGGGITNCEVIV-RQJABVFESA-N	2	0	324.425	-1.103	20	0		DAADRP
C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656025332	545811568	/nfs/dbraw/zinc/81/15/68/545811568.db2.gz	HFZZPDAHOUCJCB-YVECIDJPSA-N	2	0	310.398	-1.622	20	0		DAADRP
O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656022767	545811927	/nfs/dbraw/zinc/81/19/27/545811927.db2.gz	LTUUFFRBWMHPQG-FRRDWIJNSA-N	2	0	310.398	-1.478	20	0		DAADRP
[NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656023131	545812056	/nfs/dbraw/zinc/81/20/56/545812056.db2.gz	WGXGGGITNCEVIV-FQUUOJAGSA-N	2	0	324.425	-1.103	20	0		DAADRP
C[C@@]1(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCC[NH2+]C1	ZINC000656023723	545812132	/nfs/dbraw/zinc/81/21/32/545812132.db2.gz	DGMXGUOOAGUMEE-WOSRLPQWSA-N	2	0	324.425	-1.230	20	0		DAADRP
C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC000656068987	545813926	/nfs/dbraw/zinc/81/39/26/545813926.db2.gz	MPVOOGCXBMVMDQ-MELADBBJSA-N	2	0	324.425	-1.184	20	0		DAADRP
CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1	ZINC000656085727	545815327	/nfs/dbraw/zinc/81/53/27/545815327.db2.gz	MEJYREKPKJSWLV-MELADBBJSA-N	2	0	324.425	-1.184	20	0		DAADRP
CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656102134	545816113	/nfs/dbraw/zinc/81/61/13/545816113.db2.gz	DRZOKNNDZCACPT-NWDGAFQWSA-N	2	0	312.414	-1.293	20	0		DAADRP
C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC000656104265	545817386	/nfs/dbraw/zinc/81/73/86/545817386.db2.gz	MNACRJKFURLCIR-XDQVBPFNSA-N	2	0	324.425	-1.150	20	0		DAADRP
O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@]2(CC[NH2+]C2)C1	ZINC000656103988	545817664	/nfs/dbraw/zinc/81/76/64/545817664.db2.gz	FCMVRXNPVBHMLW-ZENOOKHLSA-N	2	0	322.409	-1.524	20	0		DAADRP
[NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC000656104547	545818123	/nfs/dbraw/zinc/81/81/23/545818123.db2.gz	QFTLRTRSNBOJLF-HZSPNIEDSA-N	2	0	324.425	-1.149	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@@H](C)[NH2+]1	ZINC000656103699	545818187	/nfs/dbraw/zinc/81/81/87/545818187.db2.gz	BKPAWYCTFKBVFV-FVCCEPFGSA-N	2	0	310.398	-1.527	20	0		DAADRP
C[C@@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)C1CC1	ZINC000656309076	545819513	/nfs/dbraw/zinc/81/95/13/545819513.db2.gz	IWTUYBYSMLBESM-FPMFFAJLSA-N	2	0	324.425	-1.137	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1	ZINC000672597112	545863653	/nfs/dbraw/zinc/86/36/53/545863653.db2.gz	NIQSCNISPYCANN-QWHCGFSZSA-N	2	0	311.430	-1.441	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)CC1=O	ZINC000673524554	545866371	/nfs/dbraw/zinc/86/63/71/545866371.db2.gz	YPDMFMAQNJBUJX-RYUDHWBXSA-N	2	0	300.403	-1.565	20	0		DAADRP
COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1	ZINC001199111737	782171496	/nfs/dbraw/zinc/17/14/96/782171496.db2.gz	JUHNQGHTQUSWDN-YNEHKIRRSA-N	2	0	303.403	-1.505	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)C[NH+](C)C	ZINC000911298704	663140798	/nfs/dbraw/zinc/14/07/98/663140798.db2.gz	TXTNYTUABDQQRN-VXGBXAGGSA-N	2	0	300.403	-1.077	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[S@@](C)=O	ZINC000804998702	663803124	/nfs/dbraw/zinc/80/31/24/663803124.db2.gz	KNGZLOSBPQFCDS-OAQYLSRUSA-N	2	0	320.459	-1.567	20	0		DAADRP
NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC000969409153	662314652	/nfs/dbraw/zinc/31/46/52/662314652.db2.gz	ZSEGJUQYJDFQEW-HFXYEQLZSA-N	2	0	308.382	-1.475	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1	ZINC000970713957	662368820	/nfs/dbraw/zinc/36/88/20/662368820.db2.gz	AMNOZKQFZGDIII-VXGBXAGGSA-N	2	0	323.397	-1.320	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1	ZINC001021906366	662383124	/nfs/dbraw/zinc/38/31/24/662383124.db2.gz	LMZUHUSIQSGFPU-GRYCIOLGSA-N	2	0	323.397	-1.131	20	0		DAADRP
NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC001022451677	662392756	/nfs/dbraw/zinc/39/27/56/662392756.db2.gz	DVPPLPNTVWNNKI-JEHXAXEVSA-N	2	0	308.382	-1.428	20	0		DAADRP
C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)C(N)=O	ZINC001022451456	662392895	/nfs/dbraw/zinc/39/28/95/662392895.db2.gz	ACHZSXJSKYTNGU-NMPGSNNOSA-N	2	0	322.409	-1.040	20	0		DAADRP
C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)C(N)=O	ZINC001022451457	662393060	/nfs/dbraw/zinc/39/30/60/662393060.db2.gz	ACHZSXJSKYTNGU-SHKVPVGKSA-N	2	0	322.409	-1.040	20	0		DAADRP
O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC000892002063	662396907	/nfs/dbraw/zinc/39/69/07/662396907.db2.gz	KSZQYNNGEROGBD-KKOKHZNYSA-N	2	0	309.370	-1.075	20	0		DAADRP
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1	ZINC000926335899	662396953	/nfs/dbraw/zinc/39/69/53/662396953.db2.gz	CFTLJQCQIAFGPI-IOASZLSFSA-N	2	0	324.425	-1.006	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCNCC[NH2+]CC3)CC[C@@H]21	ZINC000926398481	662403044	/nfs/dbraw/zinc/40/30/44/662403044.db2.gz	VSCRNOLMLDJZIV-KGLIPLIRSA-N	2	0	323.441	-1.440	20	0		DAADRP
Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)nc1=O	ZINC001022981187	662421280	/nfs/dbraw/zinc/42/12/80/662421280.db2.gz	CNZCJTLLDZAVBN-PHIMTYICSA-N	2	0	320.397	-1.059	20	0		DAADRP
O=S(=O)(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH2+]CC1	ZINC000091673344	662428312	/nfs/dbraw/zinc/42/83/12/662428312.db2.gz	BADQYKHLYJPWOK-VXGBXAGGSA-N	2	0	304.416	-1.411	20	0		DAADRP
O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1	ZINC001023090123	662428738	/nfs/dbraw/zinc/42/87/38/662428738.db2.gz	JMVOEUUXTKULDP-TXEJJXNPSA-N	2	0	323.397	-1.129	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1	ZINC001019772338	662535793	/nfs/dbraw/zinc/53/57/93/662535793.db2.gz	AMNOZKQFZGDIII-RYUDHWBXSA-N	2	0	323.397	-1.320	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1	ZINC001026145822	662542877	/nfs/dbraw/zinc/54/28/77/662542877.db2.gz	MGVOBBGWZXKKLF-DIACKHNESA-N	2	0	320.393	-1.210	20	0		DAADRP
Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1=O	ZINC001027216717	662576484	/nfs/dbraw/zinc/57/64/84/662576484.db2.gz	XEOYIFQKVBVOGY-VXGBXAGGSA-N	2	0	322.413	-1.002	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)NCC[N@H+](C)CCO)CC1=O	ZINC000925007354	662694267	/nfs/dbraw/zinc/69/42/67/662694267.db2.gz	OCYMQHQUZFEGSK-LBPRGKRZSA-N	2	0	300.403	-1.563	20	0		DAADRP
CN1CCN(C(=O)C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)[C@H](C[NH3+])C1	ZINC000904955906	662792151	/nfs/dbraw/zinc/79/21/51/662792151.db2.gz	IMTANUZZQOWKBX-IOASZLSFSA-N	2	0	323.441	-1.502	20	0		DAADRP
C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCO1	ZINC000904959113	662792323	/nfs/dbraw/zinc/79/23/23/662792323.db2.gz	KJEZIRRACOOGSC-OQMKEHIESA-N	2	0	324.425	-1.029	20	0		DAADRP
C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)C[C@]2(C)C1	ZINC000904965052	662792787	/nfs/dbraw/zinc/79/27/87/662792787.db2.gz	PLCJXHFGSYUDRF-XUJVJEKNSA-N	2	0	310.398	-1.417	20	0		DAADRP
COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+]1CCCC1	ZINC000905011923	662793301	/nfs/dbraw/zinc/79/33/01/662793301.db2.gz	AFRPXIZEAPDKNN-ZDUSSCGKSA-N	2	0	312.414	-1.013	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC[NH2+]1	ZINC000904991061	662793378	/nfs/dbraw/zinc/79/33/78/662793378.db2.gz	SMMNBVKESZPRSH-HZSPNIEDSA-N	2	0	324.425	-1.136	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C[C@H]1[NH3+]	ZINC000904986940	662793616	/nfs/dbraw/zinc/79/36/16/662793616.db2.gz	MBDVWKULVQUMPE-YIYPIFLZSA-N	2	0	324.425	-1.150	20	0		DAADRP
O=C(C(=O)N1CC[NH2+]CC1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000904989698	662793655	/nfs/dbraw/zinc/79/36/55/662793655.db2.gz	NJBCYYRYFIUQLN-OLZOCXBDSA-N	2	0	310.398	-1.524	20	0		DAADRP
C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1	ZINC000904989643	662793706	/nfs/dbraw/zinc/79/37/06/662793706.db2.gz	MNJAKSQXIFSVQX-MCIONIFRSA-N	2	0	324.425	-1.136	20	0		DAADRP
[NH3+][C@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1	ZINC000904985348	662793767	/nfs/dbraw/zinc/79/37/67/662793767.db2.gz	ACFRJLTULFMHOJ-XQQFMLRXSA-N	2	0	310.398	-1.396	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC[NH2+]1	ZINC000904991064	662794465	/nfs/dbraw/zinc/79/44/65/662794465.db2.gz	SMMNBVKESZPRSH-MCIONIFRSA-N	2	0	324.425	-1.136	20	0		DAADRP
COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1	ZINC000905021397	662794843	/nfs/dbraw/zinc/79/48/43/662794843.db2.gz	KHULOWLKQZNIRQ-WOSRLPQWSA-N	2	0	324.425	-1.157	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2	ZINC000911029504	663135620	/nfs/dbraw/zinc/13/56/20/663135620.db2.gz	CLFSOHBURIDUBO-CJNGLKHVSA-N	2	0	323.441	-1.297	20	0		DAADRP
C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCC3([NH3+])CC3)C2)CC1	ZINC000911035310	663135808	/nfs/dbraw/zinc/13/58/08/663135808.db2.gz	SQCPAKLMXUZSTL-GFCCVEGCSA-N	2	0	323.441	-1.121	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C	ZINC000911031305	663135870	/nfs/dbraw/zinc/13/58/70/663135870.db2.gz	PIEROBRLPIUEEG-VXGBXAGGSA-N	2	0	311.430	-1.537	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2	ZINC000911029505	663135988	/nfs/dbraw/zinc/13/59/88/663135988.db2.gz	CLFSOHBURIDUBO-CZUORRHYSA-N	2	0	323.441	-1.297	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C	ZINC000911031301	663136089	/nfs/dbraw/zinc/13/60/89/663136089.db2.gz	PIEROBRLPIUEEG-NWDGAFQWSA-N	2	0	311.430	-1.537	20	0		DAADRP
COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1	ZINC000911072701	663136249	/nfs/dbraw/zinc/13/62/49/663136249.db2.gz	NDDWIBUIRCVZGQ-AAEUAGOBSA-N	2	0	310.398	-1.214	20	0		DAADRP
COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)CC[NH+](C)C	ZINC000911073874	663136297	/nfs/dbraw/zinc/13/62/97/663136297.db2.gz	XBICDFZDWFFPKM-VXGBXAGGSA-N	2	0	300.403	-1.110	20	0		DAADRP
O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2	ZINC000911147817	663137572	/nfs/dbraw/zinc/13/75/72/663137572.db2.gz	JQZFDONIBOBSID-XHJNMGKDSA-N	2	0	322.409	-1.025	20	0		DAADRP
C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)C[N@@H+]1C1CC1	ZINC000911147374	663137582	/nfs/dbraw/zinc/13/75/82/663137582.db2.gz	QKIVOJNSNVCHMH-CHWSQXEVSA-N	2	0	323.441	-1.251	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@H]1[NH3+]	ZINC000911147007	663137698	/nfs/dbraw/zinc/13/76/98/663137698.db2.gz	DQNWNVKABWAZLI-FVCCEPFGSA-N	2	0	310.398	-1.229	20	0		DAADRP
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000911146269	663137735	/nfs/dbraw/zinc/13/77/35/663137735.db2.gz	KPPGGZYHXNBDLH-OCCSQVGLSA-N	2	0	323.441	-1.393	20	0		DAADRP
C[NH+](C)C1(CNC(=O)C(=O)N2CCNCC[NH2+]CC2)CCC1	ZINC000911117628	663137861	/nfs/dbraw/zinc/13/78/61/663137861.db2.gz	ZWGMQCIVTKWRDN-UHFFFAOYSA-N	2	0	311.430	-1.392	20	0		DAADRP
CC[N@H+](CCNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)C1CC1	ZINC000911185675	663138145	/nfs/dbraw/zinc/13/81/45/663138145.db2.gz	BLRNZLZOQIBTMK-OAHLLOKOSA-N	2	0	312.414	-1.101	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000911158023	663138411	/nfs/dbraw/zinc/13/84/11/663138411.db2.gz	YKBRLZIBPSBTPT-UHFFFAOYSA-N	2	0	315.418	-2.298	20	0		DAADRP
[NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1	ZINC000911222742	663139361	/nfs/dbraw/zinc/13/93/61/663139361.db2.gz	HKALTRXQRBZUCL-CZUORRHYSA-N	2	0	324.425	-1.101	20	0		DAADRP
COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1	ZINC000911239890	663139504	/nfs/dbraw/zinc/13/95/04/663139504.db2.gz	FKLBSGNDMGPNDT-NWDGAFQWSA-N	2	0	312.414	-1.063	20	0		DAADRP
[NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1	ZINC000911222740	663139664	/nfs/dbraw/zinc/13/96/64/663139664.db2.gz	HKALTRXQRBZUCL-CJNGLKHVSA-N	2	0	324.425	-1.101	20	0		DAADRP
COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1	ZINC000911239891	663139746	/nfs/dbraw/zinc/13/97/46/663139746.db2.gz	FKLBSGNDMGPNDT-RYUDHWBXSA-N	2	0	312.414	-1.063	20	0		DAADRP
C[C@@H](CNC(=O)C(=O)N1CCNCC[NH2+]CC1)[N@H+](C)C1CC1	ZINC000911204514	663139817	/nfs/dbraw/zinc/13/98/17/663139817.db2.gz	FMCILTGWZWHUFK-LBPRGKRZSA-N	2	0	311.430	-1.393	20	0		DAADRP
[NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1	ZINC000911222743	663139900	/nfs/dbraw/zinc/13/99/00/663139900.db2.gz	HKALTRXQRBZUCL-XJKSGUPXSA-N	2	0	324.425	-1.101	20	0		DAADRP
C[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000911271279	663140019	/nfs/dbraw/zinc/14/00/19/663140019.db2.gz	ZUDFVXYTVHYMSP-STQMWFEESA-N	2	0	312.414	-1.230	20	0		DAADRP
O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCNCC[NH2+]CC1	ZINC000911269551	663140175	/nfs/dbraw/zinc/14/01/75/663140175.db2.gz	LMMMQVSTRSSUHI-UONOGXRCSA-N	2	0	323.441	-1.249	20	0		DAADRP
CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC	ZINC000911244873	663140413	/nfs/dbraw/zinc/14/04/13/663140413.db2.gz	SJPBQKXXNCAZSM-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)C[NH+](C)C	ZINC000911272656	663140460	/nfs/dbraw/zinc/14/04/60/663140460.db2.gz	DPIFILKIUYUQNQ-RYUDHWBXSA-N	2	0	300.403	-1.077	20	0		DAADRP
O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000911275061	663140519	/nfs/dbraw/zinc/14/05/19/663140519.db2.gz	UJQODLIBDZVQBK-AGIUHOORSA-N	2	0	310.398	-1.478	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)C[NH+](C)C	ZINC000911266273	663140916	/nfs/dbraw/zinc/14/09/16/663140916.db2.gz	HNQNNROHDQTASC-NEPJUHHUSA-N	2	0	300.403	-1.063	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)C[NH+](C)C	ZINC000911298703	663140927	/nfs/dbraw/zinc/14/09/27/663140927.db2.gz	TXTNYTUABDQQRN-RYUDHWBXSA-N	2	0	300.403	-1.077	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)C[NH+](C)C	ZINC000911266277	663140962	/nfs/dbraw/zinc/14/09/62/663140962.db2.gz	HNQNNROHDQTASC-VXGBXAGGSA-N	2	0	300.403	-1.063	20	0		DAADRP
C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000911292127	663141133	/nfs/dbraw/zinc/14/11/33/663141133.db2.gz	PAZTZDQYPJBBQO-AGIUHOORSA-N	2	0	312.414	-1.245	20	0		DAADRP
COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCOCC[NH+](C)C	ZINC000911257087	663141231	/nfs/dbraw/zinc/14/12/31/663141231.db2.gz	DEKCIVKHJADWLR-GFCCVEGCSA-N	2	0	316.402	-1.872	20	0		DAADRP
CC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000911282475	663141517	/nfs/dbraw/zinc/14/15/17/663141517.db2.gz	QZZWKCUTDWZGRR-OLZOCXBDSA-N	2	0	312.414	-1.230	20	0		DAADRP
O=C(NCC[NH2+]C1CC1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO	ZINC000911282986	663141696	/nfs/dbraw/zinc/14/16/96/663141696.db2.gz	FPROWPDVGUUCPL-ZIAGYGMSSA-N	2	0	324.425	-1.088	20	0		DAADRP
C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)C[C@]2(C)C1	ZINC000911311261	663141766	/nfs/dbraw/zinc/14/17/66/663141766.db2.gz	QOMUCRJDHCRFEZ-JMSVASOKSA-N	2	0	310.398	-1.499	20	0		DAADRP
O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO	ZINC000911327309	663141794	/nfs/dbraw/zinc/14/17/94/663141794.db2.gz	UJQODLIBDZVQBK-RWMBFGLXSA-N	2	0	310.398	-1.478	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)C[NH+](C)C	ZINC000911310818	663141822	/nfs/dbraw/zinc/14/18/22/663141822.db2.gz	NXPGCKJNOAGTNW-NWDGAFQWSA-N	2	0	316.402	-1.826	20	0		DAADRP
COCC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1	ZINC000911305507	663141835	/nfs/dbraw/zinc/14/18/35/663141835.db2.gz	HMLLSJDVMZYPFF-SWLSCSKDSA-N	2	0	312.414	-1.251	20	0		DAADRP
CC1(C)CC[N@H+](CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1	ZINC000911312072	663142046	/nfs/dbraw/zinc/14/20/46/663142046.db2.gz	UHWYAUKPTDNEDT-GFCCVEGCSA-N	2	0	312.414	-1.061	20	0		DAADRP
CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)C1	ZINC000911338082	663142196	/nfs/dbraw/zinc/14/21/96/663142196.db2.gz	XLNLSBODNOMAKU-CYBMUJFWSA-N	2	0	311.430	-1.392	20	0		DAADRP
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000911348732	663142378	/nfs/dbraw/zinc/14/23/78/663142378.db2.gz	REKAZMTVBQZBQU-DGAVXFQQSA-N	2	0	324.425	-1.089	20	0		DAADRP
CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1	ZINC000911337784	663142440	/nfs/dbraw/zinc/14/24/40/663142440.db2.gz	WHHIQJKLUGQPPY-WFASDCNBSA-N	2	0	312.414	-1.101	20	0		DAADRP
CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1	ZINC000911337783	663142495	/nfs/dbraw/zinc/14/24/95/663142495.db2.gz	WHHIQJKLUGQPPY-SWLSCSKDSA-N	2	0	312.414	-1.101	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C	ZINC000911377973	663143548	/nfs/dbraw/zinc/14/35/48/663143548.db2.gz	JVTWDIYQURCPSS-OLZOCXBDSA-N	2	0	314.430	-1.005	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)C[NH+](C)C	ZINC000911367503	663143596	/nfs/dbraw/zinc/14/35/96/663143596.db2.gz	QAMSKZIFUHWGFX-GRYCIOLGSA-N	2	0	300.403	-1.207	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C	ZINC000911374201	663143631	/nfs/dbraw/zinc/14/36/31/663143631.db2.gz	HSMBZQZKHCVNPP-VXGBXAGGSA-N	2	0	300.403	-1.253	20	0		DAADRP
C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1	ZINC000911411527	663143914	/nfs/dbraw/zinc/14/39/14/663143914.db2.gz	PPPOWHNHWGQGOQ-ZDUSSCGKSA-N	2	0	311.430	-1.264	20	0		DAADRP
CN(CCC[NH+](C)C)C(=O)C(=O)NCCN1CCC([NH3+])CC1	ZINC000911410863	663143921	/nfs/dbraw/zinc/14/39/21/663143921.db2.gz	BXWIADVJCZDYLV-UHFFFAOYSA-N	2	0	313.446	-1.064	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)C[NH+](C)C	ZINC000911433640	663144544	/nfs/dbraw/zinc/14/45/44/663144544.db2.gz	COWLTZGMDLSEQX-NEPJUHHUSA-N	2	0	300.403	-1.110	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)C[NH+](C)C	ZINC000911433642	663144791	/nfs/dbraw/zinc/14/47/91/663144791.db2.gz	COWLTZGMDLSEQX-RYUDHWBXSA-N	2	0	300.403	-1.110	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)C[NH+](C)C	ZINC000911437166	663144796	/nfs/dbraw/zinc/14/47/96/663144796.db2.gz	ZCIABHXLDBAIFI-VXGBXAGGSA-N	2	0	300.403	-1.110	20	0		DAADRP
CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000911703054	663150503	/nfs/dbraw/zinc/15/05/03/663150503.db2.gz	VBDIACBTMUEECA-KBPBESRZSA-N	2	0	323.441	-1.440	20	0		DAADRP
C[NH+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C	ZINC000913915904	663238484	/nfs/dbraw/zinc/23/84/84/663238484.db2.gz	SBLANKNWEMWLMS-FRRDWIJNSA-N	2	0	312.414	-1.232	20	0		DAADRP
CS(=O)(=O)N1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)CC1	ZINC000261964627	663241481	/nfs/dbraw/zinc/24/14/81/663241481.db2.gz	AVJXTPOZRQQJRT-UHFFFAOYSA-N	2	0	318.443	-1.224	20	0		DAADRP
C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1[NH2+]CC(N)=O	ZINC000939292738	663349113	/nfs/dbraw/zinc/34/91/13/663349113.db2.gz	NFLBCKUGRJWPGF-DGCLKSJQSA-N	2	0	322.413	-1.020	20	0		DAADRP
NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1	ZINC000996622943	663489898	/nfs/dbraw/zinc/48/98/98/663489898.db2.gz	TYXQHACWHJBRRL-QWHCGFSZSA-N	2	0	310.398	-1.085	20	0		DAADRP
NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1	ZINC000996622934	663489906	/nfs/dbraw/zinc/48/99/06/663489906.db2.gz	TYXQHACWHJBRRL-OLZOCXBDSA-N	2	0	310.398	-1.085	20	0		DAADRP
CN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC([NH2+]CC(N)=O)C1	ZINC000999142952	663556388	/nfs/dbraw/zinc/55/63/88/663556388.db2.gz	IGFXUJBKZSBHBC-PCPABOIYSA-N	2	0	322.409	-1.086	20	0		DAADRP
C[N@H+](CCNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)CCOCCO	ZINC000922110125	663622095	/nfs/dbraw/zinc/62/20/95/663622095.db2.gz	WYXJZQKLVPLXDP-OCCSQVGLSA-N	2	0	303.403	-1.502	20	0		DAADRP
C[N@H+](CCNC(=O)C[C@]1(O)CCC[NH+](C)C1)CCOCCO	ZINC000922129232	663622918	/nfs/dbraw/zinc/62/29/18/663622918.db2.gz	POGJSGQIJISGDE-OAHLLOKOSA-N	2	0	317.430	-1.110	20	0		DAADRP
COCCOC[C@H](O)C[N@@H+]1CCC[C@H](N2CCNCC2=O)C1	ZINC000923333820	663696563	/nfs/dbraw/zinc/69/65/63/663696563.db2.gz	TUYSTSNMUOMCHK-UONOGXRCSA-N	2	0	315.414	-1.094	20	0		DAADRP
[NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC(=O)N1CCNC(=O)C1)CC2	ZINC000923456577	663697677	/nfs/dbraw/zinc/69/76/77/663697677.db2.gz	XWQUWRAFEAEDOB-LBPRGKRZSA-N	2	0	310.398	-1.225	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1	ZINC000946918724	663698541	/nfs/dbraw/zinc/69/85/41/663698541.db2.gz	PXYPOZOLUMZDQY-QWHCGFSZSA-N	2	0	324.425	-1.088	20	0		DAADRP
[NH3+]CCCOC1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1	ZINC000923577144	663698600	/nfs/dbraw/zinc/69/86/00/663698600.db2.gz	OHOWJGGEMOTDDU-UHFFFAOYSA-N	2	0	306.432	-1.034	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[S@](C)=O	ZINC000804998701	663803229	/nfs/dbraw/zinc/80/32/29/663803229.db2.gz	KNGZLOSBPQFCDS-NRFANRHFSA-N	2	0	320.459	-1.567	20	0		DAADRP
CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(CC[NH3+])CCO	ZINC000842096427	663876855	/nfs/dbraw/zinc/87/68/55/663876855.db2.gz	AWSXRKDKWUQDTQ-GFCCVEGCSA-N	2	0	300.403	-1.243	20	0		DAADRP
C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000842164737	663876899	/nfs/dbraw/zinc/87/68/99/663876899.db2.gz	NZJATXPEHKTLQH-JHJVBQTASA-N	2	0	310.398	-1.214	20	0		DAADRP
C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH2+]1	ZINC000842163901	663877103	/nfs/dbraw/zinc/87/71/03/663877103.db2.gz	ALCMVLBGMGVJHQ-XQQFMLRXSA-N	2	0	310.398	-1.214	20	0		DAADRP
C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000842164731	663877235	/nfs/dbraw/zinc/87/72/35/663877235.db2.gz	NZJATXPEHKTLQH-AGIUHOORSA-N	2	0	310.398	-1.214	20	0		DAADRP
C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH2+]1	ZINC000842163896	663877267	/nfs/dbraw/zinc/87/72/67/663877267.db2.gz	ALCMVLBGMGVJHQ-AVGNSLFASA-N	2	0	310.398	-1.214	20	0		DAADRP
[NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC000848637413	663892301	/nfs/dbraw/zinc/89/23/01/663892301.db2.gz	PTUCGCQCFOULDM-FRRDWIJNSA-N	2	0	310.398	-1.539	20	0		DAADRP
CCOC(=O)N1CCN(C(=O)[C@@H](C)N(C)C[C@H](O)C[NH3+])CC1	ZINC000852749585	663897870	/nfs/dbraw/zinc/89/78/70/663897870.db2.gz	AFFOUPZHLAYYFU-VXGBXAGGSA-N	2	0	316.402	-1.073	20	0		DAADRP
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000861756034	663918833	/nfs/dbraw/zinc/91/88/33/663918833.db2.gz	SLSAPURVKXFPGA-ZDEQEGDKSA-N	2	0	310.398	-1.168	20	0		DAADRP
COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)N1CC[NH2+]CC1	ZINC000923604200	663932861	/nfs/dbraw/zinc/93/28/61/663932861.db2.gz	DAFKIRNYWZCULD-LBPRGKRZSA-N	2	0	306.432	-1.163	20	0		DAADRP
CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)[C@H](C[NH3+])C1	ZINC000868385673	663934151	/nfs/dbraw/zinc/93/41/51/663934151.db2.gz	WRIBAGSXLFVMRI-BFHYXJOUSA-N	2	0	323.441	-1.360	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC[C@@H]21	ZINC000868387368	663934181	/nfs/dbraw/zinc/93/41/81/663934181.db2.gz	BORWFQRWJZOABY-UPJWGTAASA-N	2	0	310.398	-1.275	20	0		DAADRP
O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000868419054	663934254	/nfs/dbraw/zinc/93/42/54/663934254.db2.gz	UJKSOSVKVFCCNB-CRWXNKLISA-N	2	0	322.409	-1.383	20	0		DAADRP
C[C@@]1(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[NH2+]CCO1	ZINC000872302092	663939243	/nfs/dbraw/zinc/93/92/43/663939243.db2.gz	ODTIWRUXGDXNTO-OXIQGZBJSA-N	2	0	324.381	-1.242	20	0		DAADRP
C[NH+](C)C[C@H](N)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000876752708	663947627	/nfs/dbraw/zinc/94/76/27/663947627.db2.gz	WYKUXAVGOWZKOL-ZDUSSCGKSA-N	2	0	311.430	-1.358	20	0		DAADRP
COCC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(COC)C[NH2+]CCO2)C1	ZINC000876754060	663947717	/nfs/dbraw/zinc/94/77/17/663947717.db2.gz	AXMHGFYQPWSJLL-OCCSQVGLSA-N	2	0	301.387	-1.172	20	0		DAADRP
COC[C@@]1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[NH2+]CCO1	ZINC000876853479	663948241	/nfs/dbraw/zinc/94/82/41/663948241.db2.gz	LSEGSQNUIBRLFV-DZGCQCFKSA-N	2	0	312.414	-1.503	20	0		DAADRP
COC[C@]1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[NH2+]CCO1	ZINC000876853480	663948480	/nfs/dbraw/zinc/94/84/80/663948480.db2.gz	LSEGSQNUIBRLFV-HIFRSBDPSA-N	2	0	312.414	-1.503	20	0		DAADRP
COC[C@]1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C[NH2+]CCO1	ZINC000876849006	663948659	/nfs/dbraw/zinc/94/86/59/663948659.db2.gz	WIBSQWIQWRNGEA-HIFRSBDPSA-N	2	0	312.414	-1.503	20	0		DAADRP
COC[C@]1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C[NH2+]CCO1	ZINC000876971889	663949663	/nfs/dbraw/zinc/94/96/63/663949663.db2.gz	FMESZWCBMKSWEE-ZFWWWQNUSA-N	2	0	312.414	-1.503	20	0		DAADRP
O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1	ZINC000923668780	663950748	/nfs/dbraw/zinc/95/07/48/663950748.db2.gz	LEDPDTPZYKMDDA-INTQDDNPSA-N	2	0	316.383	-1.845	20	0		DAADRP
CCO[C@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)C[NH+](C)C	ZINC000923676473	663951558	/nfs/dbraw/zinc/95/15/58/663951558.db2.gz	PPNLODPXLIVFRZ-NEPJUHHUSA-N	2	0	309.432	-1.139	20	0		DAADRP
CCO[C@@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)C[NH+](C)C	ZINC000923676475	663952142	/nfs/dbraw/zinc/95/21/42/663952142.db2.gz	PPNLODPXLIVFRZ-RYUDHWBXSA-N	2	0	309.432	-1.139	20	0		DAADRP
CCO[C@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)C[NH+](C)C	ZINC000923676476	663952363	/nfs/dbraw/zinc/95/23/63/663952363.db2.gz	PPNLODPXLIVFRZ-VXGBXAGGSA-N	2	0	309.432	-1.139	20	0		DAADRP
[NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000884560239	663964499	/nfs/dbraw/zinc/96/44/99/663964499.db2.gz	RLRTZOUCWCMZRV-FRRDWIJNSA-N	2	0	310.398	-1.085	20	0		DAADRP
O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2	ZINC000884560356	663964924	/nfs/dbraw/zinc/96/49/24/663964924.db2.gz	VOTVVUSGUCXIBE-RNJOBUHISA-N	2	0	308.382	-1.462	20	0		DAADRP
O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000884560495	663965077	/nfs/dbraw/zinc/96/50/77/663965077.db2.gz	YTYQSYJMOSIEIB-XJFOESAGSA-N	2	0	322.409	-1.071	20	0		DAADRP
C[N@@H+]1CCN(CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1(C)C	ZINC000884507904	663965243	/nfs/dbraw/zinc/96/52/43/663965243.db2.gz	PNHNYGHKCGPNIM-STQMWFEESA-N	2	0	323.441	-1.299	20	0		DAADRP
O=C(NCCCC[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2	ZINC000884597772	663965930	/nfs/dbraw/zinc/96/59/30/663965930.db2.gz	JNJSFBORJWVKJY-STQMWFEESA-N	2	0	310.398	-1.212	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC[C@@H]21	ZINC000884725398	663966264	/nfs/dbraw/zinc/96/62/64/663966264.db2.gz	IKWHWFYNKBGIJM-UPJWGTAASA-N	2	0	310.398	-1.356	20	0		DAADRP
C[C@H]([NH3+])CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000884684347	663966957	/nfs/dbraw/zinc/96/69/57/663966957.db2.gz	CUYNYQORIUSNJB-YNEHKIRRSA-N	3	0	313.446	-1.352	20	0		DAADRP
CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1	ZINC000926294415	663981204	/nfs/dbraw/zinc/98/12/04/663981204.db2.gz	DCLVSYOKPKBWEJ-CQSZACIVSA-N	2	0	300.403	-1.291	20	0		DAADRP
C[C@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C[C@@H]1[NH+](C)C	ZINC000926340257	663982045	/nfs/dbraw/zinc/98/20/45/663982045.db2.gz	FBJZTSYHNCFKAU-STQMWFEESA-N	2	0	311.430	-1.584	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C[C@H]1[NH+](C)C	ZINC000926341454	663982715	/nfs/dbraw/zinc/98/27/15/663982715.db2.gz	KLQWLXCORFOXEH-JMSVASOKSA-N	2	0	312.414	-1.293	20	0		DAADRP
[NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1	ZINC000926326100	663982883	/nfs/dbraw/zinc/98/28/83/663982883.db2.gz	KNMGTWURJXILHT-CJNGLKHVSA-N	2	0	324.425	-1.005	20	0		DAADRP
CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000926362293	663983329	/nfs/dbraw/zinc/98/33/29/663983329.db2.gz	ZJEBSWHMSFUJJZ-UHFFFAOYSA-N	2	0	311.430	-1.440	20	0		DAADRP
[NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1	ZINC000926413701	663983959	/nfs/dbraw/zinc/98/39/59/663983959.db2.gz	QNGJMGPIJVVYML-CJNGLKHVSA-N	2	0	322.409	-1.229	20	0		DAADRP
C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2	ZINC000926440525	663984156	/nfs/dbraw/zinc/98/41/56/663984156.db2.gz	SAGICOQKJRMQHN-XJKCOSOUSA-N	2	0	324.425	-1.088	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O	ZINC000961963500	664363465	/nfs/dbraw/zinc/36/34/65/664363465.db2.gz	GHFWFNKOEMGEIZ-RDBSUJKOSA-N	2	0	324.425	-1.136	20	0		DAADRP
C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC(N)=O	ZINC001082653344	678118365	/nfs/dbraw/zinc/11/83/65/678118365.db2.gz	GLQSHHNSUVWDKE-RYMLTCQSSA-N	2	0	322.409	-1.229	20	0		DAADRP
CN(C)C(=O)CN1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C1	ZINC001083274594	677684309	/nfs/dbraw/zinc/68/43/09/677684309.db2.gz	RGKPIBLPJNGSLD-HZSPNIEDSA-N	2	0	324.425	-1.062	20	0		DAADRP
CN(C)C(=O)CN1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C1	ZINC001083274595	677684418	/nfs/dbraw/zinc/68/44/18/677684418.db2.gz	RGKPIBLPJNGSLD-MELADBBJSA-N	2	0	324.425	-1.062	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1	ZINC001082923487	678120135	/nfs/dbraw/zinc/12/01/35/678120135.db2.gz	LMOAOZFGFWXUKZ-JHJVBQTASA-N	2	0	312.414	-1.124	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1	ZINC001040797543	678256912	/nfs/dbraw/zinc/25/69/12/678256912.db2.gz	JQBDFNSTNFCQPP-HNNXBMFYSA-N	2	0	314.430	-1.031	20	0		DAADRP
C[NH+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1	ZINC001042091503	678314302	/nfs/dbraw/zinc/31/43/02/678314302.db2.gz	BJFWLYLGRKDWHS-QWHCGFSZSA-N	2	0	324.425	-1.136	20	0		DAADRP
C[NH+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1	ZINC001042091499	678314558	/nfs/dbraw/zinc/31/45/58/678314558.db2.gz	BJFWLYLGRKDWHS-CHWSQXEVSA-N	2	0	324.425	-1.136	20	0		DAADRP
C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1	ZINC001043115886	678366215	/nfs/dbraw/zinc/36/62/15/678366215.db2.gz	KXWCCIAPKJPTDB-LBPRGKRZSA-N	2	0	312.414	-1.421	20	0		DAADRP
C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	ZINC001045710132	678469459	/nfs/dbraw/zinc/46/94/59/678469459.db2.gz	CFSRASHIXJVUDT-LBPRGKRZSA-N	2	0	312.414	-1.278	20	0		DAADRP
C[NH+](C)CC(=O)N1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1	ZINC000900171083	678471341	/nfs/dbraw/zinc/47/13/41/678471341.db2.gz	GQPUFTZCIFPCBQ-IUODEOHRSA-N	2	0	312.414	-1.326	20	0		DAADRP
C[C@@]1(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CCN(CC(N)=O)C1	ZINC001046501141	678483282	/nfs/dbraw/zinc/48/32/82/678483282.db2.gz	KQTPFKRSENTZJL-FHBZKAFMSA-N	2	0	322.409	-1.085	20	0		DAADRP
COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC001047428351	678518723	/nfs/dbraw/zinc/51/87/23/678518723.db2.gz	HHTJAYJNDXSHJA-ZOBORPQBSA-N	2	0	315.414	-1.145	20	0		DAADRP
CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O	ZINC001049434362	678582493	/nfs/dbraw/zinc/58/24/93/678582493.db2.gz	AKSCHMWFGPDXIE-STQMWFEESA-N	2	0	314.430	-1.080	20	0		DAADRP
C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1[NH2+]CC(N)=O	ZINC001054653736	678633905	/nfs/dbraw/zinc/63/39/05/678633905.db2.gz	FMQHBYSCFPWWHQ-DGCLKSJQSA-N	2	0	322.413	-1.020	20	0		DAADRP
C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001057212075	678699694	/nfs/dbraw/zinc/69/96/94/678699694.db2.gz	IURRZMPKLCCSKN-CYBMUJFWSA-N	2	0	314.430	-1.031	20	0		DAADRP
O=C(N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2	ZINC001051904493	678778761	/nfs/dbraw/zinc/77/87/61/678778761.db2.gz	OOFCNHYEIBJMFV-QWHCGFSZSA-N	2	0	322.409	-1.212	20	0		DAADRP
O=C(N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2	ZINC001051904492	678778866	/nfs/dbraw/zinc/77/88/66/678778866.db2.gz	OOFCNHYEIBJMFV-OLZOCXBDSA-N	2	0	322.409	-1.212	20	0		DAADRP
O=C(C[NH+]1CCCC1)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1	ZINC001051931620	678780411	/nfs/dbraw/zinc/78/04/11/678780411.db2.gz	AFQNMMYNJZCZOT-QWHCGFSZSA-N	2	0	310.398	-1.212	20	0		DAADRP
C[NH+](C)[C@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)C1CC1	ZINC001070209059	678859193	/nfs/dbraw/zinc/85/91/93/678859193.db2.gz	KQVSLCQMTIABIU-RDBSUJKOSA-N	2	0	322.413	-1.048	20	0		DAADRP
O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1	ZINC001070327915	678864817	/nfs/dbraw/zinc/86/48/17/678864817.db2.gz	IVXLSFDILMVYAJ-OLZOCXBDSA-N	2	0	308.386	-1.292	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1	ZINC001201334131	782217828	/nfs/dbraw/zinc/21/78/28/782217828.db2.gz	FYULCGHNUNHCFR-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[NH+](C)CCOCC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1	ZINC001201864281	782222145	/nfs/dbraw/zinc/22/21/45/782222145.db2.gz	VGVOZIIBNZSUGT-ZDUSSCGKSA-N	2	0	303.403	-1.236	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1	ZINC001202060224	782227676	/nfs/dbraw/zinc/22/76/76/782227676.db2.gz	VPWCFNZKPTXTIS-QWHCGFSZSA-N	2	0	312.414	-1.109	20	0		DAADRP
C[C@@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)C1CC[NH+](C)CC1	ZINC001275291224	782307429	/nfs/dbraw/zinc/30/74/29/782307429.db2.gz	GSPUYNCIHSAYCC-NSHDSACASA-N	2	0	320.459	-1.028	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O	ZINC001110980970	782339497	/nfs/dbraw/zinc/33/94/97/782339497.db2.gz	CYFVLGCDNNZIBA-MXWKQRLJSA-N	2	0	311.386	-1.146	20	0		DAADRP
C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21	ZINC001114750402	782373976	/nfs/dbraw/zinc/37/39/76/782373976.db2.gz	HLTDIHFYPCPRHB-IWIIMEHWSA-N	2	0	311.386	-1.431	20	0		DAADRP
CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1	ZINC001043157758	782397155	/nfs/dbraw/zinc/39/71/55/782397155.db2.gz	JPINUXIKBWDCMM-UHFFFAOYSA-N	2	0	314.430	-1.031	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O	ZINC001099986855	782523603	/nfs/dbraw/zinc/52/36/03/782523603.db2.gz	QFJPHMHGGFGROT-STQMWFEESA-N	2	0	303.403	-1.502	20	0		DAADRP
CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCOCCO)C[C@H]1O	ZINC001100064268	782544119	/nfs/dbraw/zinc/54/41/19/782544119.db2.gz	KPIQWPSNWVXQCS-ZIAGYGMSSA-N	2	0	317.430	-1.112	20	0		DAADRP
CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCOCCO)C[C@@H]1O	ZINC001100064266	782544766	/nfs/dbraw/zinc/54/47/66/782544766.db2.gz	KPIQWPSNWVXQCS-KGLIPLIRSA-N	2	0	317.430	-1.112	20	0		DAADRP
O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O	ZINC001100109489	782554624	/nfs/dbraw/zinc/55/46/24/782554624.db2.gz	GFRSSZTXPCMORQ-KGLIPLIRSA-N	2	0	315.414	-1.358	20	0		DAADRP
C[C@H]([NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1)C(N)=O	ZINC001100870174	782586200	/nfs/dbraw/zinc/58/62/00/782586200.db2.gz	AQLLKYWTVDKYDP-UNXYVOJBSA-N	2	0	300.403	-1.077	20	0		DAADRP
CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C	ZINC001115125922	782643708	/nfs/dbraw/zinc/64/37/08/782643708.db2.gz	DUTHMJHDSRAMFT-NMKXLXIOSA-N	2	0	312.414	-1.255	20	0		DAADRP
CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C	ZINC001115125921	782643802	/nfs/dbraw/zinc/64/38/02/782643802.db2.gz	DUTHMJHDSRAMFT-CIQGVGRVSA-N	2	0	312.414	-1.255	20	0		DAADRP
[NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC001118325768	782714568	/nfs/dbraw/zinc/71/45/68/782714568.db2.gz	JZSHYLMQZBMCPV-MROQNXINSA-N	2	0	310.398	-1.493	20	0		DAADRP
O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[NH2+]CC1	ZINC001118553782	782725862	/nfs/dbraw/zinc/72/58/62/782725862.db2.gz	XHXKZCJEZDWOAV-CYBMUJFWSA-N	2	0	310.398	-1.212	20	0		DAADRP
OC[C@H]1CC[N@H+](C/C=C/C[NH+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O	ZINC001118558120	782727201	/nfs/dbraw/zinc/72/72/01/782727201.db2.gz	MXNVHSYDYSENPA-SDDRIOSUSA-N	2	0	314.426	-1.107	20	0		DAADRP
C[C@@H](NC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C1=CC[N@H+](C)CC1	ZINC001118867641	782737014	/nfs/dbraw/zinc/73/70/14/782737014.db2.gz	NBEBNMSKGRQVLW-YPMHNXCESA-N	2	0	310.398	-1.142	20	0		DAADRP
C[C@@H](NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C1=CC[N@H+](C)CC1	ZINC001118867639	782737345	/nfs/dbraw/zinc/73/73/45/782737345.db2.gz	NBEBNMSKGRQVLW-DGCLKSJQSA-N	2	0	310.398	-1.142	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+]	ZINC001119351906	782753203	/nfs/dbraw/zinc/75/32/03/782753203.db2.gz	MEVBEJGUUBDNIS-QWHCGFSZSA-N	2	0	311.430	-1.312	20	0		DAADRP
O=C(Cc1c[nH]cn1)NCCC[NH2+]CCCN1C(=O)CNC1=O	ZINC001167350200	775157248	/nfs/dbraw/zinc/15/72/48/775157248.db2.gz	QCIVIIZGEHZEGD-UHFFFAOYSA-N	2	0	322.369	-1.010	20	0		DAADRP
COCCOC[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1	ZINC000300284165	775172295	/nfs/dbraw/zinc/17/22/95/775172295.db2.gz	NKZLXVUHRSYFND-STQMWFEESA-N	2	0	303.403	-1.203	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N2CCC([NH+](CCO)CC(N)=O)CC2)C1	ZINC001098561206	775197625	/nfs/dbraw/zinc/19/76/25/775197625.db2.gz	WUGAMAVCAXXOBV-LBPRGKRZSA-N	2	0	312.414	-1.291	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001267072390	775200271	/nfs/dbraw/zinc/20/02/71/775200271.db2.gz	YKVVQSSGGSKZJG-GFCCVEGCSA-N	2	0	320.459	-1.075	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCC1CC([NH2+][C@H]2CCNC2=O)C1	ZINC001100870915	775335866	/nfs/dbraw/zinc/33/58/66/775335866.db2.gz	RNSIMLQXJLQSQI-BPCQOVAHSA-N	2	0	312.414	-1.063	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C	ZINC001268398396	775380809	/nfs/dbraw/zinc/38/08/09/775380809.db2.gz	YYOIRFOUQFRJEE-SNVBAGLBSA-N	2	0	301.391	-1.122	20	0		DAADRP
C[NH+](C)CC1(C(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O)CC1	ZINC001268584739	775402040	/nfs/dbraw/zinc/40/20/40/775402040.db2.gz	ZOAAWOIJEBHKPU-ARJAWSKDSA-N	2	0	311.386	-1.215	20	0		DAADRP
C[C@H]([NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O	ZINC001268626230	775408184	/nfs/dbraw/zinc/40/81/84/775408184.db2.gz	ZQMDUDYMEAEBNA-QUCGXOGASA-N	2	0	311.386	-1.072	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1	ZINC001105376632	775420540	/nfs/dbraw/zinc/42/05/40/775420540.db2.gz	BAYSTUYRRXWHTJ-UHFFFAOYSA-N	2	0	323.401	-1.424	20	0		DAADRP
CN(CC(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12)C(N)=[NH2+]	ZINC001268995903	775433216	/nfs/dbraw/zinc/43/32/16/775433216.db2.gz	FJXFIOKHLJSAEI-GHMZBOCLSA-N	2	0	322.413	-1.520	20	0		DAADRP
CC[N@H+](C)CC(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C	ZINC001269095357	775442314	/nfs/dbraw/zinc/44/23/14/775442314.db2.gz	RCBFCJQXQAVUTI-UHFFFAOYSA-N	2	0	312.414	-1.061	20	0		DAADRP
C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@H]1CC[N@H+](C)C1)C2	ZINC001269246837	775452253	/nfs/dbraw/zinc/45/22/53/775452253.db2.gz	AMFNPZHUGMJPAW-ZDUSSCGKSA-N	2	0	324.425	-1.061	20	0		DAADRP
[NH3+]CC(=O)N[C@@H](CO)c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1	ZINC001211958637	775627847	/nfs/dbraw/zinc/62/78/47/775627847.db2.gz	AXVSKEOSOSLJHG-NSHDSACASA-N	2	0	318.337	-1.114	20	0		DAADRP
C[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)N1CC[NH+](C)CC1	ZINC001120574900	775734117	/nfs/dbraw/zinc/73/41/17/775734117.db2.gz	SGRXSORCUWCUIN-CVEARBPZSA-N	3	0	313.490	-1.180	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCN1CCCC1=O	ZINC001272495624	775765132	/nfs/dbraw/zinc/76/51/32/775765132.db2.gz	GHYAVSNYHHUKDT-QWHCGFSZSA-N	2	0	312.414	-1.230	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O	ZINC001272566625	775778635	/nfs/dbraw/zinc/77/86/35/775778635.db2.gz	ABYATGTXKIVOBD-WDEREUQCSA-N	2	0	314.386	-1.800	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]CCN1CCNC1=O	ZINC001272582663	775784029	/nfs/dbraw/zinc/78/40/29/775784029.db2.gz	BKVDGPCEABCPAF-GFCCVEGCSA-N	2	0	313.402	-1.826	20	0		DAADRP
C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC(N)=O	ZINC001106622520	775793041	/nfs/dbraw/zinc/79/30/41/775793041.db2.gz	CQGKCFLNPHXOMG-GHMZBOCLSA-N	2	0	313.402	-1.183	20	0		DAADRP
C[C@H]([NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)NC(N)=O	ZINC001127466495	775808752	/nfs/dbraw/zinc/80/87/52/775808752.db2.gz	OPSKBEVJEQTDPF-ONGXEEELSA-N	2	0	311.386	-1.383	20	0		DAADRP
C[NH+](C)CCn1ccc(C(=O)NCC[NH2+][C@H]2CCNC2=O)n1	ZINC001127558244	775811776	/nfs/dbraw/zinc/81/17/76/775811776.db2.gz	HWPNWIDPWPZBEN-NSHDSACASA-N	2	0	308.386	-1.347	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001127643849	775818996	/nfs/dbraw/zinc/81/89/96/775818996.db2.gz	NVYOZIHRMQXUOY-HBNTYKKESA-N	2	0	313.402	-1.124	20	0		DAADRP
CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)CC[N@@H+]1C	ZINC001127700688	775826213	/nfs/dbraw/zinc/82/62/13/775826213.db2.gz	ACSCXUZZPSPWQA-NWDGAFQWSA-N	2	0	320.459	-1.028	20	0		DAADRP
COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001124879331	775833019	/nfs/dbraw/zinc/83/30/19/775833019.db2.gz	RPGSCZDDWGFMRX-QWHCGFSZSA-N	2	0	303.403	-1.190	20	0		DAADRP
O=C(C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)NC1CC1	ZINC001127777788	775861375	/nfs/dbraw/zinc/86/13/75/775861375.db2.gz	BQNARQAIKAHUHT-QWHCGFSZSA-N	2	0	310.398	-1.166	20	0		DAADRP
O=C(NCC[NH2+]CCn1cncn1)[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001127784749	775862834	/nfs/dbraw/zinc/86/28/34/775862834.db2.gz	BBCLYPQSIQOVAU-QWHCGFSZSA-N	2	0	308.386	-1.153	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001127779153	775863295	/nfs/dbraw/zinc/86/32/95/775863295.db2.gz	JQTBKRCDYOEFJI-NXEZZACHSA-N	2	0	313.358	-2.250	20	0		DAADRP
Cn1nncc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001127780218	775864025	/nfs/dbraw/zinc/86/40/25/775864025.db2.gz	XDYHPNXFDUBYFY-WCQYABFASA-N	2	0	308.386	-1.116	20	0		DAADRP
CS(=O)(=O)CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001127780051	775865032	/nfs/dbraw/zinc/86/50/32/775865032.db2.gz	VERDFCOPPCSHMB-NEPJUHHUSA-N	2	0	319.427	-1.400	20	0		DAADRP
COC(=O)[C@@H]1C[C@H]([NH3+])CN(S(=O)(=O)C2CC[NH2+]CC2)C1	ZINC001239087320	775870155	/nfs/dbraw/zinc/87/01/55/775870155.db2.gz	LUZZXLJSLQUKIC-ZJUUUORDSA-N	2	0	305.400	-1.110	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O	ZINC001081732130	776116176	/nfs/dbraw/zinc/11/61/76/776116176.db2.gz	CZDDFIXHQQSHPK-QWHCGFSZSA-N	2	0	314.430	-1.175	20	0		DAADRP
NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC001086152330	776244066	/nfs/dbraw/zinc/24/40/66/776244066.db2.gz	AWXTVWIYMPQGFQ-FAZPBVIHSA-N	2	0	322.409	-1.181	20	0		DAADRP
CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O	ZINC001100041277	776250371	/nfs/dbraw/zinc/25/03/71/776250371.db2.gz	GVMXDBGDBPEVSC-KBPBESRZSA-N	2	0	317.430	-1.112	20	0		DAADRP
CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O	ZINC001100041280	776250531	/nfs/dbraw/zinc/25/05/31/776250531.db2.gz	GVMXDBGDBPEVSC-ZIAGYGMSSA-N	2	0	317.430	-1.112	20	0		DAADRP
C[NH+]1CCC(OCC(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2O)CC1	ZINC001100050776	776253153	/nfs/dbraw/zinc/25/31/53/776253153.db2.gz	MWYTUPMGTRXTLK-UONOGXRCSA-N	2	0	315.414	-1.359	20	0		DAADRP
NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1	ZINC001086373275	776258721	/nfs/dbraw/zinc/25/87/21/776258721.db2.gz	RNWMVADBWKKROY-CYDGBPFRSA-N	2	0	310.398	-1.181	20	0		DAADRP
NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC001086431712	776261817	/nfs/dbraw/zinc/26/18/17/776261817.db2.gz	AWXTVWIYMPQGFQ-JRWADXHSSA-N	2	0	322.409	-1.181	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCOCCO)C[C@@H]1O	ZINC001100084145	776262623	/nfs/dbraw/zinc/26/26/23/776262623.db2.gz	XWVSMLBIFUTYCQ-KGLIPLIRSA-N	2	0	317.430	-1.112	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](CCO)CC(N)=O)CC1	ZINC001098449984	776271844	/nfs/dbraw/zinc/27/18/44/776271844.db2.gz	YDIIPSQEVJBZTP-CYBMUJFWSA-N	2	0	312.414	-1.149	20	0		DAADRP
CN1CCO[C@@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)C1	ZINC001156145470	776274303	/nfs/dbraw/zinc/27/43/03/776274303.db2.gz	LGCFQSKWMDWQAE-LLVKDONJSA-N	2	0	307.416	-1.543	20	0		DAADRP
[NH3+][C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[C@H]1F	ZINC001157536228	776403789	/nfs/dbraw/zinc/40/37/89/776403789.db2.gz	JEPQRLYZTLQWKR-AXFHLTTASA-N	2	0	319.402	-1.092	20	0		DAADRP
CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](F)[C@@H]([NH3+])C1	ZINC001157545506	776405782	/nfs/dbraw/zinc/40/57/82/776405782.db2.gz	UYAKWWWOHBJYSZ-UTLUCORTSA-N	2	0	304.366	-1.247	20	0		DAADRP
C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)COC1(C)C	ZINC001157545325	776406132	/nfs/dbraw/zinc/40/61/32/776406132.db2.gz	PJEDUPNZWRKWKK-JXUBOQSCSA-N	2	0	302.350	-1.195	20	0		DAADRP
CC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NC(=O)NC	ZINC001170211905	776425139	/nfs/dbraw/zinc/42/51/39/776425139.db2.gz	QTYIOJJCORZOEF-UHFFFAOYSA-N	2	0	301.391	-1.120	20	0		DAADRP
CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2	ZINC001157716993	776428043	/nfs/dbraw/zinc/42/80/43/776428043.db2.gz	VYWWJGHPNCGZIV-QWRGUYRKSA-N	2	0	317.411	-1.790	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC[C@@](F)(C[NH3+])CC1	ZINC001157743896	776438074	/nfs/dbraw/zinc/43/80/74/776438074.db2.gz	IAMHTOAJNLIEOG-LBPRGKRZSA-N	2	0	324.422	-1.114	20	0		DAADRP
C[NH+](C)[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1CC1	ZINC001129444091	776470301	/nfs/dbraw/zinc/47/03/01/776470301.db2.gz	PWFJGSFILFDKSS-NSHDSACASA-N	2	0	306.432	-1.418	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C	ZINC001129436470	776470327	/nfs/dbraw/zinc/47/03/27/776470327.db2.gz	PKIZPJWXBAZIDF-GFCCVEGCSA-N	2	0	313.402	-1.122	20	0		DAADRP
CN(CC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)S(C)(=O)=O	ZINC001129437405	776471061	/nfs/dbraw/zinc/47/10/61/776471061.db2.gz	ZXNUMHMUPAVDEU-LBPRGKRZSA-N	2	0	320.459	-1.076	20	0		DAADRP
C[NH+](C)CC1(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CC1	ZINC001129982626	776488335	/nfs/dbraw/zinc/48/83/35/776488335.db2.gz	GFIDGHMMQSFKRM-OLZOCXBDSA-N	2	0	322.413	-1.046	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1	ZINC001130123464	776495281	/nfs/dbraw/zinc/49/52/81/776495281.db2.gz	SBXUVEUJSLXQJF-MJBXVCDLSA-N	2	0	322.413	-1.046	20	0		DAADRP
C[C@]1(CO)CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC[C@H]1O	ZINC001157946464	776505357	/nfs/dbraw/zinc/50/53/57/776505357.db2.gz	NKBBPDZZASYGEJ-GZBFAFLISA-N	2	0	314.430	-1.671	20	0		DAADRP
CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CCNS(C)(=O)=O	ZINC001130427645	776509540	/nfs/dbraw/zinc/50/95/40/776509540.db2.gz	PYTGMQLRVNYMDU-UHFFFAOYSA-N	2	0	308.448	-1.028	20	0		DAADRP
O=C([C@H]1C[NH2+]CCC1(F)F)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158100943	776533153	/nfs/dbraw/zinc/53/31/53/776533153.db2.gz	DCGOBGOKHJZICG-SKDRFNHKSA-N	2	0	302.325	-1.078	20	0		DAADRP
O=C(NCC[NH2+]CCN1C(=O)CNC1=O)C12CCC[NH+]1CCC2	ZINC001130810302	776534914	/nfs/dbraw/zinc/53/49/14/776534914.db2.gz	QDGMUFWIBJHJLS-UHFFFAOYSA-N	2	0	323.397	-1.128	20	0		DAADRP
O=C(NCC[NH2+]CCn1cncn1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131521990	776571886	/nfs/dbraw/zinc/57/18/86/776571886.db2.gz	ODZPRTSJLKUHTB-OWYJLGKBSA-N	2	0	320.397	-1.153	20	0		DAADRP
CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131519441	776573483	/nfs/dbraw/zinc/57/34/83/776573483.db2.gz	FIGRBYLKMRUUBY-MQYJIDSJSA-N	2	0	310.398	-1.356	20	0		DAADRP
CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1	ZINC001132848275	776642718	/nfs/dbraw/zinc/64/27/18/776642718.db2.gz	CRRSSFFJDUAQOI-JTQLQIEISA-N	2	0	315.374	-2.004	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1	ZINC001132849049	776643182	/nfs/dbraw/zinc/64/31/82/776643182.db2.gz	ZYDSYAXGLWCDCZ-NWDGAFQWSA-N	2	0	300.403	-1.064	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1	ZINC001132849050	776643364	/nfs/dbraw/zinc/64/33/64/776643364.db2.gz	ZYDSYAXGLWCDCZ-RYUDHWBXSA-N	2	0	300.403	-1.064	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001132885999	776645475	/nfs/dbraw/zinc/64/54/75/776645475.db2.gz	AKHDHNYKZZKRKH-QWRGUYRKSA-N	2	0	313.402	-1.122	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1	ZINC001132995260	776648726	/nfs/dbraw/zinc/64/87/26/776648726.db2.gz	PQDSYYDSFSUGCG-UHFFFAOYSA-N	2	0	320.459	-1.027	20	0		DAADRP
C[NH+](C)CCCC(=O)NCC[NH2+]CC(=O)N1CCOCC1	ZINC001133040133	776650953	/nfs/dbraw/zinc/65/09/53/776650953.db2.gz	CESMPCOGBCHMOA-UHFFFAOYSA-N	2	0	300.403	-1.107	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1CC[NH+](C)CC1	ZINC001133285980	776663234	/nfs/dbraw/zinc/66/32/34/776663234.db2.gz	QTOXGRXPQUSMPM-JTQLQIEISA-N	2	0	313.402	-1.122	20	0		DAADRP
CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C	ZINC001133294797	776665313	/nfs/dbraw/zinc/66/53/13/776665313.db2.gz	USGABSAVQOFBAD-UHFFFAOYSA-N	2	0	301.391	-1.120	20	0		DAADRP
CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+](C)C	ZINC001133294403	776665482	/nfs/dbraw/zinc/66/54/82/776665482.db2.gz	HMEXFXRIORGIMD-SNVBAGLBSA-N	2	0	301.391	-1.122	20	0		DAADRP
CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+](C)C	ZINC001133294402	776665515	/nfs/dbraw/zinc/66/55/15/776665515.db2.gz	HMEXFXRIORGIMD-JTQLQIEISA-N	2	0	301.391	-1.122	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C	ZINC001133863781	776680792	/nfs/dbraw/zinc/68/07/92/776680792.db2.gz	PFCZPEYRELPTDW-NWDGAFQWSA-N	2	0	320.459	-1.171	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1	ZINC001133894027	776680984	/nfs/dbraw/zinc/68/09/84/776680984.db2.gz	STBLNNCFEZQZIF-UHFFFAOYSA-N	2	0	313.402	-1.120	20	0		DAADRP
C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O	ZINC001133862646	776681020	/nfs/dbraw/zinc/68/10/20/776681020.db2.gz	DYGJOPVMNOXIIS-QWRGUYRKSA-N	2	0	306.432	-1.561	20	0		DAADRP
C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O	ZINC001133862644	776681471	/nfs/dbraw/zinc/68/14/71/776681471.db2.gz	DYGJOPVMNOXIIS-GHMZBOCLSA-N	2	0	306.432	-1.561	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1	ZINC001133845977	776681768	/nfs/dbraw/zinc/68/17/68/776681768.db2.gz	QYFZHULQPBFWNP-ZDUSSCGKSA-N	2	0	312.414	-1.107	20	0		DAADRP
CC[C@@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)[NH+](C)C	ZINC001133962187	776685082	/nfs/dbraw/zinc/68/50/82/776685082.db2.gz	FFLFGEWRXPFSOY-NSHDSACASA-N	2	0	308.448	-1.076	20	0		DAADRP
CC[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)[NH+](C)C	ZINC001133982813	776686889	/nfs/dbraw/zinc/68/68/89/776686889.db2.gz	OGVBAXWSNFSESZ-NSHDSACASA-N	2	0	313.402	-2.009	20	0		DAADRP
CC[C@@H](C(=O)NCC[NH2+]CCNS(=O)(=O)CC)[NH+](C)C	ZINC001133966249	776686965	/nfs/dbraw/zinc/68/69/65/776686965.db2.gz	ZNYBMSXJQYDCSH-NSHDSACASA-N	2	0	308.448	-1.028	20	0		DAADRP
CCNC(=O)C[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1	ZINC001135115023	776735907	/nfs/dbraw/zinc/73/59/07/776735907.db2.gz	UDZUTFCUTZUPFH-UHFFFAOYSA-N	2	0	310.402	-1.100	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1	ZINC001135118444	776737147	/nfs/dbraw/zinc/73/71/47/776737147.db2.gz	MXBDREFQQNMLDJ-NSHDSACASA-N	2	0	310.402	-1.101	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[NH+](CC)CC	ZINC001135511208	776760537	/nfs/dbraw/zinc/76/05/37/776760537.db2.gz	MBGQJELHHUJRNH-UHFFFAOYSA-N	2	0	301.391	-1.120	20	0		DAADRP
COC[C@@H](O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1	ZINC001135959645	776775486	/nfs/dbraw/zinc/77/54/86/776775486.db2.gz	SDCWMMBXMQXUSN-LBPRGKRZSA-N	2	0	303.403	-1.190	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]CCNC(=O)COC1CC[NH+](C)CC1	ZINC001135958528	776775639	/nfs/dbraw/zinc/77/56/39/776775639.db2.gz	BMBLZDVGWOIVCN-NSHDSACASA-N	2	0	300.403	-1.063	20	0		DAADRP
O=C([C@@H]1C[C@@H](NC[C@H]2C[NH2+]CCO2)C[NH2+]1)N1CCSC1	ZINC001246088090	776787102	/nfs/dbraw/zinc/78/71/02/776787102.db2.gz	ISAQNXKCHXOJNA-UTUOFQBUSA-N	2	0	300.428	-1.172	20	0		DAADRP
O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O	ZINC001090818898	776855977	/nfs/dbraw/zinc/85/59/77/776855977.db2.gz	XLZMVTFLCVWQHW-KGLIPLIRSA-N	2	0	322.413	-1.075	20	0		DAADRP
[NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1	ZINC001120456339	779522081	/nfs/dbraw/zinc/52/20/81/779522081.db2.gz	UIMJZRWZHYASJM-XDQVBPFNSA-N	2	0	324.425	-1.103	20	0		DAADRP
C[C@@H]1CN(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CCO1	ZINC001120573935	779524979	/nfs/dbraw/zinc/52/49/79/779524979.db2.gz	JPZPAAOPWHMRHA-CABCVRRESA-N	2	0	300.447	-1.095	20	0		DAADRP
C[C@@H]1CN(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CCO1	ZINC001120573942	779525876	/nfs/dbraw/zinc/52/58/76/779525876.db2.gz	JPZPAAOPWHMRHA-HUUCEWRRSA-N	2	0	300.447	-1.095	20	0		DAADRP
C[NH+]1CCN(C[C@H](O)C[NH2+]CCCNS(C)(=O)=O)CC1	ZINC001120574173	779525970	/nfs/dbraw/zinc/52/59/70/779525970.db2.gz	WEBAXACHAINVKP-GFCCVEGCSA-N	2	0	308.448	-1.876	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)C1	ZINC001151048370	779669985	/nfs/dbraw/zinc/66/99/85/779669985.db2.gz	AOUNTRQPXPVXDV-JTQLQIEISA-N	2	0	311.386	-1.368	20	0		DAADRP
COCCCNC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1	ZINC001151097235	779670812	/nfs/dbraw/zinc/67/08/12/779670812.db2.gz	LWKMAYKFSTWRGX-UHFFFAOYSA-N	2	0	300.403	-1.059	20	0		DAADRP
Cn1c(C[NH2+]CCNC(=O)C[NH+]2CCCC2)cc(=O)n(C)c1=O	ZINC001151106542	779671414	/nfs/dbraw/zinc/67/14/14/779671414.db2.gz	BIJBONBDFCYGMI-UHFFFAOYSA-N	2	0	323.397	-1.614	20	0		DAADRP
C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)CCO1	ZINC001151064966	779671484	/nfs/dbraw/zinc/67/14/84/779671484.db2.gz	GJVPUUIEOZFCPS-CHWSQXEVSA-N	2	0	312.414	-1.109	20	0		DAADRP
O=C(C[NH+]1CCCC1)NCC[NH2+]CCN1CCCS1(=O)=O	ZINC001151098052	779671727	/nfs/dbraw/zinc/67/17/27/779671727.db2.gz	SODVDKBAEWXBMU-UHFFFAOYSA-N	2	0	318.443	-1.177	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1	ZINC001151049818	779671841	/nfs/dbraw/zinc/67/18/41/779671841.db2.gz	ZMCWQVLUAGTWAB-QWHCGFSZSA-N	2	0	312.414	-1.061	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1	ZINC001151159261	779672929	/nfs/dbraw/zinc/67/29/29/779672929.db2.gz	RFKMHGXTACDWPG-VXGBXAGGSA-N	2	0	300.403	-1.205	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1	ZINC001151159252	779673114	/nfs/dbraw/zinc/67/31/14/779673114.db2.gz	RFKMHGXTACDWPG-NEPJUHHUSA-N	2	0	300.403	-1.205	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@@H]1CCCNC1=O	ZINC001151157377	779673302	/nfs/dbraw/zinc/67/33/02/779673302.db2.gz	KQGBCIMICBEUJB-QWHCGFSZSA-N	2	0	312.414	-1.061	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]Cc1cnnn1C	ZINC001151156474	779673473	/nfs/dbraw/zinc/67/34/73/779673473.db2.gz	DHLFMULMIJXXFJ-GFCCVEGCSA-N	2	0	310.402	-1.011	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)NC1CC1	ZINC001151159913	779673578	/nfs/dbraw/zinc/67/35/78/779673578.db2.gz	VIZLWQMRVBLMKV-GFCCVEGCSA-N	2	0	312.414	-1.061	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O	ZINC001152426735	779693425	/nfs/dbraw/zinc/69/34/25/779693425.db2.gz	MYIHUZGELGHBNJ-UHFFFAOYSA-N	2	0	308.448	-1.076	20	0		DAADRP
O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc(N3CC[NH2+]CC3)nn2)N1	ZINC001155568973	779732501	/nfs/dbraw/zinc/73/25/01/779732501.db2.gz	CQOHXKKEEXSSIB-HZMBPMFUSA-N	2	0	303.370	-1.124	20	0		DAADRP
O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cncc(N3CC[NH2+]CC3)n2)N1	ZINC001155570412	779733326	/nfs/dbraw/zinc/73/33/26/779733326.db2.gz	MXBQVTWYOWQFPX-HZMBPMFUSA-N	2	0	303.370	-1.124	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O	ZINC001155811737	779736245	/nfs/dbraw/zinc/73/62/45/779736245.db2.gz	JEGZVQLCBVBFHJ-NSHDSACASA-N	2	0	306.432	-1.274	20	0		DAADRP
CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2	ZINC001157082046	779748002	/nfs/dbraw/zinc/74/80/02/779748002.db2.gz	GKRIMHPIBFHSKR-NEPJUHHUSA-N	2	0	321.381	-1.191	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]Cc2ccnn2C1	ZINC001157323044	779751639	/nfs/dbraw/zinc/75/16/39/779751639.db2.gz	KBGZWXPBOCJDBO-AAEUAGOBSA-N	2	0	322.413	-1.038	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]1(C)CC[NH2+]C[C@H]1O	ZINC001157323696	779751673	/nfs/dbraw/zinc/75/16/73/779751673.db2.gz	VQMFCELYKDQSGK-WDMOLILDSA-N	2	0	300.403	-1.293	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]1(C)CC[NH2+]C[C@@H]1O	ZINC001157323695	779751720	/nfs/dbraw/zinc/75/17/20/779751720.db2.gz	VQMFCELYKDQSGK-MJVIPROJSA-N	2	0	300.403	-1.293	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1=NO[C@]2(CC[NH2+]C2)C1	ZINC001157323721	779751807	/nfs/dbraw/zinc/75/18/07/779751807.db2.gz	WOCGIHMLOYWTJQ-IINYFYTJSA-N	2	0	311.386	-1.145	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1=NO[C@@]2(CC[NH2+]C2)C1	ZINC001157323720	779751814	/nfs/dbraw/zinc/75/18/14/779751814.db2.gz	WOCGIHMLOYWTJQ-HZMBPMFUSA-N	2	0	311.386	-1.145	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@]1(C)CC[NH2+]C[C@H]1O	ZINC001157323694	779752042	/nfs/dbraw/zinc/75/20/42/779752042.db2.gz	VQMFCELYKDQSGK-MISXGVKJSA-N	2	0	300.403	-1.293	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@H]2CCO[C@H]21	ZINC001157337082	779752264	/nfs/dbraw/zinc/75/22/64/779752264.db2.gz	UJLBDYPZHCFDCE-FVCCEPFGSA-N	2	0	312.414	-1.029	20	0		DAADRP
[NH3+]CCCC[C@H](NC(=O)[C@H]1C[NH2+]C[C@H]1O)C(=O)N1CCCC1	ZINC001157380074	779753599	/nfs/dbraw/zinc/75/35/99/779753599.db2.gz	UEVSRLXLTUJOKS-RWMBFGLXSA-N	2	0	312.414	-1.197	20	0		DAADRP
CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N(C)C[C@H]1C[NH2+]CCO1	ZINC001157714918	779757475	/nfs/dbraw/zinc/75/74/75/779757475.db2.gz	AHVRQXGJFASLHR-NEPJUHHUSA-N	2	0	300.403	-1.077	20	0		DAADRP
C[C@H]1[C@H](C[NH3+])CCCN1C(=O)CN(CC[NH3+])S(C)(=O)=O	ZINC001157841531	779758501	/nfs/dbraw/zinc/75/85/01/779758501.db2.gz	GKZNBFDRSBLTPW-QWRGUYRKSA-N	2	0	306.432	-1.208	20	0		DAADRP
CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001158028330	779765330	/nfs/dbraw/zinc/76/53/30/779765330.db2.gz	OZJPIDJTUMIIHK-OLZOCXBDSA-N	2	0	316.446	-1.283	20	0		DAADRP
O=C(N1CC(=O)NC[C@@]12CC[NH2+]C2)[C@@]12CCCO[C@@H]1CC[NH2+]C2	ZINC001158092229	779765400	/nfs/dbraw/zinc/76/54/00/779765400.db2.gz	MHHPJVSTIKLCKK-UHOFOFEASA-N	2	0	322.409	-1.164	20	0		DAADRP
O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158093516	779765558	/nfs/dbraw/zinc/76/55/58/779765558.db2.gz	WOWUSGYDWJWUOF-LRDDRELGSA-N	3	0	321.425	-1.449	20	0		DAADRP
O=C(C1=NO[C@@]2(CC[NH2+]C2)C1)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158091925	779765805	/nfs/dbraw/zinc/76/58/05/779765805.db2.gz	KKVZMQCLIXOJJE-KBPBESRZSA-N	2	0	307.354	-1.815	20	0		DAADRP
O=C([C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158091640	779765942	/nfs/dbraw/zinc/76/59/42/779765942.db2.gz	GEJWNKZZDNZIKX-UUIJZJDISA-N	2	0	308.382	-1.556	20	0		DAADRP
O=C([C@H]1NC(=O)CC12C[NH2+]C2)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158091815	779766111	/nfs/dbraw/zinc/76/61/11/779766111.db2.gz	IBQCACGUENPMDW-BXUZGUMPSA-N	2	0	307.354	-2.845	20	0		DAADRP
O=C([C@@H]1C[NH2+]Cc2ccnn2C1)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158091371	779766247	/nfs/dbraw/zinc/76/62/47/779766247.db2.gz	BUDUXMROOQBHRA-IAQYHMDHSA-N	2	0	318.381	-1.707	20	0		DAADRP
O=C(c1noc2c1C[NH2+]CC2)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158110639	779766727	/nfs/dbraw/zinc/76/67/27/779766727.db2.gz	HMACHDMJLHJQGI-AWEZNQCLSA-N	2	0	305.338	-1.376	20	0		DAADRP
CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158102895	779766926	/nfs/dbraw/zinc/76/69/26/779766926.db2.gz	XSIUPOVCVMJWOW-GYSYKLTISA-N	2	0	310.354	-2.172	20	0		DAADRP
COC(=O)CC[C@@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158110793	779766937	/nfs/dbraw/zinc/76/69/37/779766937.db2.gz	ISQWWTGLHPXDJY-MEBBXXQBSA-N	2	0	324.381	-1.795	20	0		DAADRP
CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158102897	779767016	/nfs/dbraw/zinc/76/70/16/779767016.db2.gz	XSIUPOVCVMJWOW-MISXGVKJSA-N	2	0	310.354	-2.172	20	0		DAADRP
N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158102584	779767032	/nfs/dbraw/zinc/76/70/32/779767032.db2.gz	UJNZOZLGQRKQJI-SWLSCSKDSA-N	2	0	324.429	-2.573	20	0		DAADRP
C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158100913	779767114	/nfs/dbraw/zinc/76/71/14/779767114.db2.gz	CMROEZWHUCZRSC-ZIBATOQPSA-N	2	0	323.397	-1.985	20	0		DAADRP
O=C(CNC1CC[NH2+]CC1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158110392	779767121	/nfs/dbraw/zinc/76/71/21/779767121.db2.gz	GZCSECASWAVTCP-INIZCTEOSA-N	2	0	321.425	-1.734	20	0		DAADRP
C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158103051	779767142	/nfs/dbraw/zinc/76/71/42/779767142.db2.gz	ZZIHTWXHEXGOAM-DYLYQXKESA-N	2	0	302.400	-2.227	20	0		DAADRP
O=C(C[C@H]1C[NH2+]CC1(F)F)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158101020	779767149	/nfs/dbraw/zinc/76/71/49/779767149.db2.gz	FUAVJRVWURXWRP-JOYOIKCWSA-N	2	0	302.325	-1.078	20	0		DAADRP
O=C([C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158102705	779767177	/nfs/dbraw/zinc/76/71/77/779767177.db2.gz	VYBPRYIIYFEDKG-WJNVRWDZSA-N	2	0	308.382	-1.699	20	0		DAADRP
O=C([C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158102704	779767193	/nfs/dbraw/zinc/76/71/93/779767193.db2.gz	VYBPRYIIYFEDKG-MDHDOXDCSA-N	2	0	308.382	-1.699	20	0		DAADRP
O=C(c1cnc2n1CC[NH2+]CC2)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158109906	779767285	/nfs/dbraw/zinc/76/72/85/779767285.db2.gz	FLKPLLBQISEMCY-OAHLLOKOSA-N	2	0	318.381	-1.667	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158101864	779767303	/nfs/dbraw/zinc/76/73/03/779767303.db2.gz	NHDIQOZIWBAVMO-CABZTGNLSA-N	3	0	301.416	-2.304	20	0		DAADRP
CN(CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)[C@H]1CCC[NH2+]C1	ZINC001158102670	779767313	/nfs/dbraw/zinc/76/73/13/779767313.db2.gz	VCTGFAKJQUJNJZ-WFASDCNBSA-N	2	0	309.414	-1.639	20	0		DAADRP
[NH3+][C@H]1CCCCN(CC(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)C1=O	ZINC001158100688	779767577	/nfs/dbraw/zinc/76/75/77/779767577.db2.gz	AIIDMALXCKDQCZ-NHYWBVRUSA-N	2	0	323.397	-1.983	20	0		DAADRP
O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158111603	779767936	/nfs/dbraw/zinc/76/79/36/779767936.db2.gz	PBBXVABUSIIYAM-AWEZNQCLSA-N	2	0	304.354	-1.641	20	0		DAADRP
O=C(N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)C1(O)CC[NH2+]CC1	ZINC001158119415	779768042	/nfs/dbraw/zinc/76/80/42/779768042.db2.gz	GWJJOZWVLPZDIE-CQSZACIVSA-N	2	0	308.382	-1.961	20	0		DAADRP
O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158119843	779768329	/nfs/dbraw/zinc/76/83/29/779768329.db2.gz	HWGUDWMOAYNSCU-HZUKXOBISA-N	2	0	304.394	-1.076	20	0		DAADRP
N[C@@]1(C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CCC[NH2+]C1	ZINC001158118663	779768384	/nfs/dbraw/zinc/76/83/84/779768384.db2.gz	CHNJWTQWGITURX-GJZGRUSLSA-N	2	0	307.398	-1.995	20	0		DAADRP
CC1(C)[NH2+][C@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CO1	ZINC001158118613	779768559	/nfs/dbraw/zinc/76/85/59/779768559.db2.gz	BPNSTISZKVMGRS-BONVTDFDSA-N	2	0	308.382	-1.351	20	0		DAADRP
O=C(C[C@]1(O)CCC[NH2+]C1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158111760	779768793	/nfs/dbraw/zinc/76/87/93/779768793.db2.gz	RLJLIGJCYUJOSC-CVEARBPZSA-N	2	0	322.409	-1.571	20	0		DAADRP
O=C(N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)C1(O)CC[NH2+]CC1	ZINC001158119412	779768823	/nfs/dbraw/zinc/76/88/23/779768823.db2.gz	GWJJOZWVLPZDIE-AWEZNQCLSA-N	2	0	308.382	-1.961	20	0		DAADRP
O=C([C@H]1C[NH2+][C@@H]2CCO[C@@H]21)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158121714	779769259	/nfs/dbraw/zinc/76/92/59/779769259.db2.gz	WLCGGHJQVFFMBM-LGSVPQMISA-N	2	0	320.393	-1.699	20	0		DAADRP
O=C([C@H]1C[NH2+]CCC1=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158121689	779769352	/nfs/dbraw/zinc/76/93/52/779769352.db2.gz	WBYSWLHSSYSSNM-BONVTDFDSA-N	2	0	306.366	-1.897	20	0		DAADRP
[NH3+]CCCC[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158121739	779769414	/nfs/dbraw/zinc/76/94/14/779769414.db2.gz	XDYUPTRDPAVKCN-XHDPSFHLSA-N	3	0	309.414	-1.619	20	0		DAADRP
NC1(C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CC[NH2+]CC1	ZINC001158121032	779769833	/nfs/dbraw/zinc/76/98/33/779769833.db2.gz	RFPVMZSGIGZYJY-CQSZACIVSA-N	2	0	307.398	-1.995	20	0		DAADRP
NC1(C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CC[NH2+]CC1	ZINC001158121031	779769925	/nfs/dbraw/zinc/76/99/25/779769925.db2.gz	RFPVMZSGIGZYJY-AWEZNQCLSA-N	2	0	307.398	-1.995	20	0		DAADRP
CN1CC[NH2+]C[C@H]1C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158277112	779772059	/nfs/dbraw/zinc/77/20/59/779772059.db2.gz	IZOSRARQWYFDBV-LBPRGKRZSA-N	2	0	319.413	-1.397	20	0		DAADRP
N[C@@]1(C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)CC[NH2+]C1	ZINC001158277491	779772202	/nfs/dbraw/zinc/77/22/02/779772202.db2.gz	PJJQAVORZVCWSJ-AWEZNQCLSA-N	2	0	305.386	-1.610	20	0		DAADRP
O=C([C@@H]1C[NH2+]C[C@H](O)C1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158262963	779772321	/nfs/dbraw/zinc/77/23/21/779772321.db2.gz	WSOCVJFFYXIAQG-NWDGAFQWSA-N	2	0	320.397	-1.331	20	0		DAADRP
O=C([C@H]1C[NH2+]C[C@@H](O)C1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158262962	779772406	/nfs/dbraw/zinc/77/24/06/779772406.db2.gz	WSOCVJFFYXIAQG-NEPJUHHUSA-N	2	0	320.397	-1.331	20	0		DAADRP
O=C([C@H]1[NH2+]CC[C@H]1O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158276604	779772415	/nfs/dbraw/zinc/77/24/15/779772415.db2.gz	AMEASYWBTZXEBN-PWSUYJOCSA-N	2	0	306.370	-1.578	20	0		DAADRP
O=C([C@H]1C[NH2+]CCO1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158260472	779772990	/nfs/dbraw/zinc/77/29/90/779772990.db2.gz	DBIYVOSIUIHGJE-LLVKDONJSA-N	2	0	306.370	-1.313	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC[C@H]2[NH2+]C[C@@H]21)C(N)=O	ZINC001158421080	779775194	/nfs/dbraw/zinc/77/51/94/779775194.db2.gz	CBYXRVFSCGPDKS-ZDCRXTMVSA-N	2	0	311.386	-1.953	20	0		DAADRP
O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC[C@@H]2[NH2+]C[C@@H]21	ZINC001158415518	779775798	/nfs/dbraw/zinc/77/57/98/779775798.db2.gz	LZLKUBXXUPQEAL-SRVKXCTJSA-N	2	0	317.397	-1.113	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21)C(N)=O	ZINC001158421078	779775910	/nfs/dbraw/zinc/77/59/10/779775910.db2.gz	CBYXRVFSCGPDKS-MMWGEVLESA-N	2	0	311.386	-1.953	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C1(N)CC[NH2+]CC1	ZINC001158499147	779776329	/nfs/dbraw/zinc/77/63/29/779776329.db2.gz	XFTPCNOSRLHYIL-SDDRHHMPSA-N	2	0	310.398	-1.181	20	0		DAADRP
O=C(NCCC[NH2+]CCOCCO)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001158505315	779776632	/nfs/dbraw/zinc/77/66/32/779776632.db2.gz	ARWSOPSRHDPLSG-KGLIPLIRSA-N	2	0	315.414	-1.046	20	0		DAADRP
O=C(NCCC[NH2+]CCOCCO)[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001158505316	779776772	/nfs/dbraw/zinc/77/67/72/779776772.db2.gz	ARWSOPSRHDPLSG-UONOGXRCSA-N	2	0	315.414	-1.046	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1C[NH2+]C[C@@H](O)C1	ZINC001158496633	779777199	/nfs/dbraw/zinc/77/71/99/779777199.db2.gz	WAZBVVFYOFRZMA-FPYNETTCSA-N	2	0	311.382	-1.291	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1C[NH2+]CC[C@@H]1O	ZINC001158496650	779777248	/nfs/dbraw/zinc/77/72/48/779777248.db2.gz	WGRNQGDTNCJNKI-NWBUJAPZSA-N	2	0	311.382	-1.291	20	0		DAADRP
O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3	ZINC001158534003	779777950	/nfs/dbraw/zinc/77/79/50/779777950.db2.gz	QKIAWSKYHAPBSN-BRXULGCHSA-N	3	0	306.410	-1.225	20	0		DAADRP
C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CN(CC[NH3+])S(C)(=O)=O	ZINC001158626154	779777986	/nfs/dbraw/zinc/77/79/86/779777986.db2.gz	FYGWJSZSVRRVGV-WDEREUQCSA-N	2	0	306.432	-1.242	20	0		DAADRP
O=C(C1=NO[C@@H]2C[NH2+]C[C@H]12)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3	ZINC001158533556	779778007	/nfs/dbraw/zinc/77/80/07/779778007.db2.gz	NVICKFXTLPPHDR-VINAVUOLSA-N	2	0	306.366	-1.060	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C	ZINC001158629088	779778233	/nfs/dbraw/zinc/77/82/33/779778233.db2.gz	BXOPYSASTPSFLZ-VLEAKVRGSA-N	2	0	313.402	-1.755	20	0		DAADRP
CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1CC[NH2+]1	ZINC001158735988	779779141	/nfs/dbraw/zinc/77/91/41/779779141.db2.gz	YGLGOAMWEGEGQX-VIFPVBQESA-N	2	0	314.367	-1.030	20	0		DAADRP
[NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1	ZINC001158968459	779783547	/nfs/dbraw/zinc/78/35/47/779783547.db2.gz	QXMCZDDTLNFKDC-XQQFMLRXSA-N	2	0	320.397	-1.041	20	0		DAADRP
C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H]2C[NH2+]C[C@@H]2O)C1	ZINC001159132563	779788253	/nfs/dbraw/zinc/78/82/53/779788253.db2.gz	ARZGFNNWFTVGNQ-AVGNSLFASA-N	2	0	307.398	-1.017	20	0		DAADRP
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H](N)CC[NH3+])CC[C@@H]2C1	ZINC001159635310	779795859	/nfs/dbraw/zinc/79/58/59/779795859.db2.gz	KOKHMHIYQBFZIW-HZSPNIEDSA-N	2	0	314.430	-1.142	20	0		DAADRP
C[NH+](C)[C@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1CC1	ZINC001159932750	779798891	/nfs/dbraw/zinc/79/88/91/779798891.db2.gz	USEZGOOJXFVWPK-LBPRGKRZSA-N	2	0	320.459	-1.028	20	0		DAADRP
CN1C[C@@H]2CN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C[C@@H]2C1=O	ZINC001159887734	779799524	/nfs/dbraw/zinc/79/95/24/779799524.db2.gz	XTDKARXIKNKFKN-KGYLQXTDSA-N	2	0	309.414	-1.717	20	0		DAADRP
CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2	ZINC001160438755	779806274	/nfs/dbraw/zinc/80/62/74/779806274.db2.gz	CDUZGRAISMFYRO-GHMZBOCLSA-N	2	0	324.381	-1.924	20	0		DAADRP
CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H]([NH3+])CCC[NH3+]	ZINC001160439240	779807039	/nfs/dbraw/zinc/80/70/39/779807039.db2.gz	ITMQBZXSGXTEOH-NXEZZACHSA-N	2	0	300.359	-1.667	20	0		DAADRP
C[NH2+]CC1CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC1	ZINC001160459703	779807663	/nfs/dbraw/zinc/80/76/63/779807663.db2.gz	QSBOUTKOBGZWAG-UHFFFAOYSA-N	2	0	306.432	-1.335	20	0		DAADRP
O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CC[NH+](C2CCOCC2)CC1	ZINC001160491167	779808199	/nfs/dbraw/zinc/80/81/99/779808199.db2.gz	VPSUOUDBJUSQBT-AWEZNQCLSA-N	2	0	324.425	-1.360	20	0		DAADRP
[NH3+]CCC[C@@H]([NH3+])C(=O)N1CCN(CC(=O)N2CCCC2)CC1	ZINC001160483740	779808373	/nfs/dbraw/zinc/80/83/73/779808373.db2.gz	MWTZNEKPQXMLJD-CYBMUJFWSA-N	2	0	311.430	-1.181	20	0		DAADRP
[NH3+]CCC[NH2+]CC(=O)N1CCN(CC(=O)N2CCCC2)CC1	ZINC001160485138	779808760	/nfs/dbraw/zinc/80/87/60/779808760.db2.gz	RNGNHJZGHYOKTB-UHFFFAOYSA-N	2	0	311.430	-1.309	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N	ZINC001160541733	779810471	/nfs/dbraw/zinc/81/04/71/779810471.db2.gz	GYLZZNURHMKCHW-LPEHRKFASA-N	2	0	322.369	-1.748	20	0		DAADRP
CS(=O)(=O)CCCN1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1	ZINC001160585810	779810584	/nfs/dbraw/zinc/81/05/84/779810584.db2.gz	SOBAZOPNODGNKW-LBPRGKRZSA-N	2	0	320.459	-1.369	20	0		DAADRP
N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@H]1COC2(C[NH2+]C2)CN1	ZINC001160539426	779811125	/nfs/dbraw/zinc/81/11/25/779811125.db2.gz	SNDNUPLHMCGXCI-ZYHUDNBSSA-N	2	0	318.381	-1.242	20	0		DAADRP
O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCN(c2cccnn2)CC1	ZINC001160570622	779811247	/nfs/dbraw/zinc/81/12/47/779811247.db2.gz	NZAJAYZDXYNSMP-LBPRGKRZSA-N	2	0	302.382	-1.066	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC(N2CCNC(=O)C2)C1	ZINC001160636232	779812985	/nfs/dbraw/zinc/81/29/85/779812985.db2.gz	HXKQJKKMVUAUQI-ZDUSSCGKSA-N	2	0	324.429	-2.621	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCN2C(=O)CC[C@@H]2C1	ZINC001160647552	779814667	/nfs/dbraw/zinc/81/46/67/779814667.db2.gz	NBBFJWVELFOGED-CHWSQXEVSA-N	2	0	309.414	-1.430	20	0		DAADRP
[NH3+][C@@H]1CCN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C[C@@H]1F	ZINC001160647289	779815118	/nfs/dbraw/zinc/81/51/18/779815118.db2.gz	FSTYFSWCCZKRBE-OUAUKWLOSA-N	2	0	323.376	-1.178	20	0		DAADRP
[NH3+]C[C@H]1CN(C(=O)c2cnc(N3CC[NH2+]CC3)cn2)CCO1	ZINC001160644544	779815175	/nfs/dbraw/zinc/81/51/75/779815175.db2.gz	GKEQKLYGFHPWQP-NSHDSACASA-N	2	0	306.370	-1.314	20	0		DAADRP
CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]([NH3+])[C@H](O)C1	ZINC001160655173	779815250	/nfs/dbraw/zinc/81/52/50/779815250.db2.gz	IVLKBMADWFSIPH-OUAUKWLOSA-N	2	0	316.402	-1.835	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCN2C(=O)OC[C@H]2C1	ZINC001160640834	779815283	/nfs/dbraw/zinc/81/52/83/779815283.db2.gz	RESRHXCVWAAJSK-NEPJUHHUSA-N	2	0	311.386	-1.600	20	0		DAADRP
[NH3+][C@@H]1CCN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C[C@H]1O	ZINC001160652914	779815310	/nfs/dbraw/zinc/81/53/10/779815310.db2.gz	QJSMWJMDVTXHGP-HBNTYKKESA-N	2	0	321.385	-2.155	20	0		DAADRP
CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1	ZINC001160746276	779816270	/nfs/dbraw/zinc/81/62/70/779816270.db2.gz	FHCMSNBDLNJYJO-OLZOCXBDSA-N	2	0	324.425	-1.061	20	0		DAADRP
CN(CC[NH+]1CCCC1)C(=O)CN(CC[NH3+])S(C)(=O)=O	ZINC001160687510	779817070	/nfs/dbraw/zinc/81/70/70/779817070.db2.gz	FZQKLYQYKGDKMR-UHFFFAOYSA-N	2	0	306.432	-1.239	20	0		DAADRP
O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN2C(=O)COC[C@@H]2C1	ZINC001160789731	779818103	/nfs/dbraw/zinc/81/81/03/779818103.db2.gz	FDUNYTFQBBTFTA-STQMWFEESA-N	2	0	322.409	-1.070	20	0		DAADRP
O=C(N1CCN2C(=O)COC[C@H]2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001160790391	779818860	/nfs/dbraw/zinc/81/88/60/779818860.db2.gz	OLJAUYTYDKWKDR-LALPHHSUSA-N	2	0	308.382	-1.745	20	0		DAADRP
CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)C[C@H]1C[NH2+]CC2	ZINC001160812282	779819663	/nfs/dbraw/zinc/81/96/63/779819663.db2.gz	MOILFXKWHSZDRM-RTWAVKEYSA-N	2	0	311.382	-1.432	20	0		DAADRP
CCOC(=O)[C@]12CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@H]1C[NH2+]CC2	ZINC001160813575	779819786	/nfs/dbraw/zinc/81/97/86/779819786.db2.gz	AIEHTBIZYUXOLE-OXJKWZBOSA-N	2	0	311.382	-1.290	20	0		DAADRP
C[NH2+][C@@H](CO)C(=O)N1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1	ZINC001160793715	779820200	/nfs/dbraw/zinc/82/02/00/779820200.db2.gz	FSOYCHAOPBYSQO-TVEHIPJCSA-N	2	0	311.382	-1.576	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@H]1C2	ZINC001160797037	779820358	/nfs/dbraw/zinc/82/03/58/779820358.db2.gz	HLCBHSROEDYVSS-MKWIENKSSA-N	2	0	323.393	-1.434	20	0		DAADRP
COC(=O)[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCN1C	ZINC001160871256	779822101	/nfs/dbraw/zinc/82/21/01/779822101.db2.gz	STOZVNRUFUEPTO-TYNCELHUSA-N	2	0	310.398	-1.499	20	0		DAADRP
C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2	ZINC001160962615	779822846	/nfs/dbraw/zinc/82/28/46/779822846.db2.gz	DNKNXRXSPZGSTK-DGCLKSJQSA-N	2	0	318.443	-1.383	20	0		DAADRP
[NH3+]CCOCCOCC(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1	ZINC001160999332	779823082	/nfs/dbraw/zinc/82/30/82/779823082.db2.gz	BHVZRMKCVKWPKE-LBPRGKRZSA-N	2	0	301.387	-1.306	20	0		DAADRP
[NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1	ZINC001161008495	779824141	/nfs/dbraw/zinc/82/41/41/779824141.db2.gz	PEGROVATJMNABE-NWDGAFQWSA-N	2	0	310.398	-1.349	20	0		DAADRP
C[C@@H]1CN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)CC[NH2+]1	ZINC001161014393	779824375	/nfs/dbraw/zinc/82/43/75/779824375.db2.gz	CSEPUSHZKNKQSP-GHMZBOCLSA-N	2	0	305.386	-1.256	20	0		DAADRP
O=C(N1CC(O)([C@@H]2CCCC[NH2+]2)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001161000131	779825022	/nfs/dbraw/zinc/82/50/22/779825022.db2.gz	QADLUDSWSZWXDL-VNHYZAJKSA-N	3	0	308.426	-1.099	20	0		DAADRP
NC(=O)NCCC[C@H]([NH3+])C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1	ZINC001160999602	779825035	/nfs/dbraw/zinc/82/50/35/779825035.db2.gz	IDRCAXDAOGCSOE-QWRGUYRKSA-N	2	0	313.402	-1.522	20	0		DAADRP
CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1	ZINC001161006910	779825083	/nfs/dbraw/zinc/82/50/83/779825083.db2.gz	GXYCKOVEEOCKGL-XQQFMLRXSA-N	2	0	311.382	-1.147	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC2(CNC(=O)N2)CC1	ZINC001161083280	779825943	/nfs/dbraw/zinc/82/59/43/779825943.db2.gz	SGFAYZUANCAETF-VIFPVBQESA-N	2	0	301.416	-1.320	20	0		DAADRP
COC(=O)[C@@]1(N)CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1	ZINC001161138532	779827460	/nfs/dbraw/zinc/82/74/60/779827460.db2.gz	UVBACQYDALKXQF-IAQYHMDHSA-N	2	0	310.398	-1.037	20	0		DAADRP
CCOC(=O)CN(CCC[NH3+])C(=O)C[C@@H]([NH3+])CCC(N)=O	ZINC001161157606	779829570	/nfs/dbraw/zinc/82/95/70/779829570.db2.gz	GMKDVFOHLYEURR-JTQLQIEISA-N	2	0	302.375	-1.290	20	0		DAADRP
CCOC(=O)CN(CCC[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001161158000	779829863	/nfs/dbraw/zinc/82/98/63/779829863.db2.gz	NGWPDJIGDIGXFX-IUODEOHRSA-N	3	0	312.414	-1.074	20	0		DAADRP
O=C(N1CCN(c2ncncn2)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001161247296	779830561	/nfs/dbraw/zinc/83/05/61/779830561.db2.gz	CBZQTEZQHWJHPM-IUODEOHRSA-N	2	0	317.397	-1.281	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@@](F)(C[NH3+])C1)C(N)=O	ZINC001161245049	779830590	/nfs/dbraw/zinc/83/05/90/779830590.db2.gz	BGFUPDHEXPEGEF-IGJMFERPSA-N	2	0	317.365	-2.017	20	0		DAADRP
[NH3+]C[C@@]1(F)CCN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C1	ZINC001161239918	779830880	/nfs/dbraw/zinc/83/08/80/779830880.db2.gz	UTOVUJQQBSNKEI-MFKMUULPSA-N	2	0	323.376	-1.177	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)N1Cc2ccnn2CC[C@@H]1CO	ZINC001161170446	779831029	/nfs/dbraw/zinc/83/10/29/779831029.db2.gz	FQVUTABHSHVVIT-NEPJUHHUSA-N	2	0	313.427	-1.005	20	0		DAADRP
CCC[NH+]1C[C@@H]2CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C[C@H]2C1	ZINC001161175625	779831434	/nfs/dbraw/zinc/83/14/34/779831434.db2.gz	MSZXKVKYEXUWDQ-LOWDOPEQSA-N	2	0	312.414	-1.389	20	0		DAADRP
CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@H]1CCC[NH2+]C1	ZINC001161331257	779834200	/nfs/dbraw/zinc/83/42/00/779834200.db2.gz	VLRRWKHITHZEBL-NSHDSACASA-N	2	0	306.432	-1.193	20	0		DAADRP
[NH3+]C1CCN([C@@H]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1	ZINC001161376596	779834870	/nfs/dbraw/zinc/83/48/70/779834870.db2.gz	BOAXPHZADPQARU-KGLIPLIRSA-N	2	0	323.441	-1.121	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1	ZINC001161413629	779835582	/nfs/dbraw/zinc/83/55/82/779835582.db2.gz	RBIXVYIKCDVUTJ-DAWVFNFOSA-N	2	0	311.386	-2.111	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1	ZINC001161412037	779836346	/nfs/dbraw/zinc/83/63/46/779836346.db2.gz	FICACROSPJPGLP-GARJFASQSA-N	2	0	304.416	-1.598	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1	ZINC001161449892	779836905	/nfs/dbraw/zinc/83/69/05/779836905.db2.gz	UZDHEGXCHSYEQM-AVGNSLFASA-N	3	0	313.446	-1.020	20	0		DAADRP
C[NH+](C)CCN(C(=O)[C@@H]([NH3+])Cc1nnn[n-]1)[C@@H]1CCC[NH2+]C1	ZINC001161443600	779837088	/nfs/dbraw/zinc/83/70/88/779837088.db2.gz	ZGMADGHVIRDJSU-MNOVXSKESA-N	2	0	310.406	-1.788	20	0		DAADRP
COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)C1(N)CC[NH2+]CC1)CC2	ZINC001161477442	779838395	/nfs/dbraw/zinc/83/83/95/779838395.db2.gz	IHSMNGPPKRVUKI-BXUZGUMPSA-N	2	0	310.398	-1.179	20	0		DAADRP
COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)CN1CC[NH2+]CC1)CC2	ZINC001161477020	779839082	/nfs/dbraw/zinc/83/90/82/779839082.db2.gz	GLFGGXISKBDNRJ-SWLSCSKDSA-N	2	0	310.398	-1.355	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[NH2+]C[C@@H](O)C1)CC2	ZINC001161477776	779839160	/nfs/dbraw/zinc/83/91/60/779839160.db2.gz	JCEQRZIWTWMWNH-OHTBPHCPSA-N	2	0	311.382	-1.290	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)/C=C/C(=O)NCC[NH3+])CC2	ZINC001161481890	779839700	/nfs/dbraw/zinc/83/97/00/779839700.db2.gz	ZHNZHNXADISDBT-HKHQAYBLSA-N	2	0	324.381	-1.629	20	0		DAADRP
[NH3+][C@@H]1CN(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)CC12COC2	ZINC001161501416	779839848	/nfs/dbraw/zinc/83/98/48/779839848.db2.gz	XMPHOGNYPBIBHO-WDEREUQCSA-N	2	0	308.382	-1.712	20	0		DAADRP
CO[C@@H]1CN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C[C@@H]1[NH3+]	ZINC001161492614	779839879	/nfs/dbraw/zinc/83/98/79/779839879.db2.gz	RVLSDBPHVNGGMO-GARJFASQSA-N	2	0	321.385	-1.891	20	0		DAADRP
C[N@H+](C1CN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1)[C@H]1CCOC1	ZINC001161499516	779839918	/nfs/dbraw/zinc/83/99/18/779839918.db2.gz	OSZBUYCAUFROKD-AAEUAGOBSA-N	2	0	310.398	-1.132	20	0		DAADRP
C[N@@H+]1C[C@H](C(=O)N2C[C@H]([NH3+])C3(COC3)C2)OC2(CC[NH2+]CC2)C1	ZINC001161510657	779840192	/nfs/dbraw/zinc/84/01/92/779840192.db2.gz	QOWKESMXYJYGAW-OLZOCXBDSA-N	3	0	324.425	-1.375	20	0		DAADRP
C[N@@H+]1C[C@H](C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)OC2(CC[NH2+]CC2)C1	ZINC001161510656	779840271	/nfs/dbraw/zinc/84/02/71/779840271.db2.gz	QOWKESMXYJYGAW-CHWSQXEVSA-N	3	0	324.425	-1.375	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)/C=C/C(=O)NCC[NH3+])CC2	ZINC001161481895	779840773	/nfs/dbraw/zinc/84/07/73/779840773.db2.gz	ZHNZHNXADISDBT-RTBIOQKDSA-N	2	0	324.381	-1.629	20	0		DAADRP
[NH3+][C@H]1CN(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)CC12COC2	ZINC001161501415	779840788	/nfs/dbraw/zinc/84/07/88/779840788.db2.gz	XMPHOGNYPBIBHO-QWRGUYRKSA-N	2	0	308.382	-1.712	20	0		DAADRP
COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)/C=C/C(=O)NCC[NH3+])CC2	ZINC001161481896	779840866	/nfs/dbraw/zinc/84/08/66/779840866.db2.gz	ZHNZHNXADISDBT-WFFJFSKWSA-N	2	0	324.381	-1.629	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1C[NH2+]CCN1C)CC2	ZINC001161481415	779841209	/nfs/dbraw/zinc/84/12/09/779841209.db2.gz	SLCBXSWADJFTRE-JMSVASOKSA-N	2	0	310.398	-1.356	20	0		DAADRP
COC(=O)CC[C@H]1COCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2	ZINC001161564533	779841978	/nfs/dbraw/zinc/84/19/78/779841978.db2.gz	BUNDRXBWXYHGEX-NWDGAFQWSA-N	2	0	311.382	-1.024	20	0		DAADRP
COCCOC1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1	ZINC001161572537	779843936	/nfs/dbraw/zinc/84/39/36/779843936.db2.gz	RZPQYENVXKWRSV-ZDUSSCGKSA-N	2	0	300.403	-1.389	20	0		DAADRP
O=C(NCCC[NH2+][C@H]1CCNC1=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001162872262	779863468	/nfs/dbraw/zinc/86/34/68/779863468.db2.gz	MHWGDGZNGOYOSF-BWAOXVRWSA-N	2	0	322.409	-1.166	20	0		DAADRP
C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C(N)=O	ZINC001162872207	779863633	/nfs/dbraw/zinc/86/36/33/779863633.db2.gz	KMUGQIZGOKEUIF-AKUZOMFGSA-N	2	0	310.398	-1.181	20	0		DAADRP
O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2nccc(N3CC[NH2+]CC3)n2)N1	ZINC001163241065	779865787	/nfs/dbraw/zinc/86/57/87/779865787.db2.gz	YRMYBIMKLABPJU-YGRLFVJLSA-N	2	0	303.370	-1.124	20	0		DAADRP
C[NH2+]C1CN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1	ZINC001163702524	779869321	/nfs/dbraw/zinc/86/93/21/779869321.db2.gz	FSLVZCBVFYKRJM-UHFFFAOYSA-N	2	0	311.411	-1.024	20	0		DAADRP
C[NH+](C)CCCC(=O)NCCC[NH2+]CCNS(C)(=O)=O	ZINC001165359442	779881949	/nfs/dbraw/zinc/88/19/49/779881949.db2.gz	BABFZHOUKWEHJY-UHFFFAOYSA-N	2	0	308.448	-1.027	20	0		DAADRP
OC[C@@]12C[NH2+]C[C@@H]1CN(c1cncc(N3CC[NH2+]CC3)n1)C2	ZINC001165282899	779882441	/nfs/dbraw/zinc/88/24/41/779882441.db2.gz	GBEBVQZPKPFHOF-DOMZBBRYSA-N	2	0	304.398	-1.096	20	0		DAADRP
O=C1NCCN(c2ccc(N3CC[NH2+]CC3)nn2)C12C[NH2+]C2	ZINC001165298034	779882670	/nfs/dbraw/zinc/88/26/70/779882670.db2.gz	PDQQVRSDRKUUKW-UHFFFAOYSA-N	2	0	303.370	-1.836	20	0		DAADRP
C[NH+](C)CCC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1	ZINC001165793879	779887683	/nfs/dbraw/zinc/88/76/83/779887683.db2.gz	FMOBWDCKXMCHPA-UHFFFAOYSA-N	2	0	313.402	-2.008	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C	ZINC001165794068	779887970	/nfs/dbraw/zinc/88/79/70/779887970.db2.gz	KKOFEPUTUYSJDV-UHFFFAOYSA-N	2	0	301.391	-1.120	20	0		DAADRP
C[NH+](C)CCC(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O	ZINC001165781322	779888114	/nfs/dbraw/zinc/88/81/14/779888114.db2.gz	PKWVXBGOLOXOCP-UHFFFAOYSA-N	2	0	313.402	-1.024	20	0		DAADRP
C[NH+](C)CCC(=O)NCCC[NH2+]CC(=O)N1CCOCC1	ZINC001165794338	779889359	/nfs/dbraw/zinc/88/93/59/779889359.db2.gz	SJWYQLBXIUNTFM-UHFFFAOYSA-N	2	0	300.403	-1.107	20	0		DAADRP
C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O	ZINC001166691822	779891973	/nfs/dbraw/zinc/89/19/73/779891973.db2.gz	NXGUCKDSHNRYJD-VXGBXAGGSA-N	2	0	320.459	-1.171	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C	ZINC001166708781	779892377	/nfs/dbraw/zinc/89/23/77/779892377.db2.gz	WAMRILRHZLLRMD-QWRGUYRKSA-N	2	0	313.402	-1.264	20	0		DAADRP
CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC)[NH+](C)C	ZINC001166858110	779894993	/nfs/dbraw/zinc/89/49/93/779894993.db2.gz	NDFDXPUKUPHMJT-JTQLQIEISA-N	2	0	301.391	-1.122	20	0		DAADRP
COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ccc(N2CC[NH2+]CC2)nn1	ZINC001166961492	779896505	/nfs/dbraw/zinc/89/65/05/779896505.db2.gz	LLGRRHFYAWGBRT-MNOVXSKESA-N	2	0	306.370	-1.035	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1	ZINC001211081551	779965904	/nfs/dbraw/zinc/96/59/04/779965904.db2.gz	LTIVDUIUGUFAJT-LLVKDONJSA-N	2	0	311.386	-1.142	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001211065746	779966174	/nfs/dbraw/zinc/96/61/74/779966174.db2.gz	ZDLWAZXCYAUUIA-MNOVXSKESA-N	2	0	311.386	-1.286	20	0		DAADRP
COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1	ZINC001213378236	779977514	/nfs/dbraw/zinc/97/75/14/779977514.db2.gz	IIBXKVGVPPTDKQ-YNEHKIRRSA-N	2	0	303.403	-1.239	20	0		DAADRP
CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001216503711	780015158	/nfs/dbraw/zinc/01/51/58/780015158.db2.gz	WLDWAKXIMFHIIE-GHMZBOCLSA-N	2	0	313.402	-1.040	20	0		DAADRP
N=c1c(N)cnc(Cl)n1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001218624948	780037337	/nfs/dbraw/zinc/03/73/37/780037337.db2.gz	QGYRDQJVFONTSP-SECBINFHSA-N	2	0	313.793	-1.011	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1	ZINC001218712865	780039772	/nfs/dbraw/zinc/03/97/72/780039772.db2.gz	KJCIZDDTPADLFO-CIUDSAMLSA-N	2	0	311.342	-1.138	20	0		DAADRP
NS(=O)(=O)c1cncc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1	ZINC001218750094	780040689	/nfs/dbraw/zinc/04/06/89/780040689.db2.gz	BAENYHRSORNHTN-VIFPVBQESA-N	2	0	319.412	-1.313	20	0		DAADRP
[NH3+]CC(=O)NCC(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1	ZINC001218879995	780043797	/nfs/dbraw/zinc/04/37/97/780043797.db2.gz	PDNAKGXXTZJCGX-UHFFFAOYSA-N	2	0	319.365	-1.255	20	0		DAADRP
C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21	ZINC001218966168	780045228	/nfs/dbraw/zinc/04/52/28/780045228.db2.gz	XBDCOOFFBSMBHR-UONOGXRCSA-N	2	0	315.414	-1.141	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])C(=O)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1	ZINC001219595930	780121746	/nfs/dbraw/zinc/12/17/46/780121746.db2.gz	WNIJSCVSNKTVGV-RYUDHWBXSA-N	2	0	318.443	-1.193	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])C(=O)CN1CCCC[C@H]([NH3+])C1=O	ZINC001219595854	780122313	/nfs/dbraw/zinc/12/23/13/780122313.db2.gz	SZAFZUNGLOJUDC-VIFPVBQESA-N	2	0	306.388	-1.927	20	0		DAADRP
CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N(CC[NH3+])S(C)(=O)=O	ZINC001219595508	780122816	/nfs/dbraw/zinc/12/28/16/780122816.db2.gz	CRTVRMRXNKPFOO-VIFPVBQESA-N	2	0	308.404	-1.777	20	0		DAADRP
O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1COC2(C[NH2+]C2)CN1	ZINC001219611134	780123433	/nfs/dbraw/zinc/12/34/33/780123433.db2.gz	WHNOXDZWOSSQPA-KCJUWKMLSA-N	2	0	308.304	-1.273	20	0		DAADRP
O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1NC(=O)CC12C[NH2+]C2	ZINC001219609763	780123869	/nfs/dbraw/zinc/12/38/69/780123869.db2.gz	DHEIYIULCSHFAK-GZMMTYOYSA-N	2	0	306.288	-1.125	20	0		DAADRP
CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F	ZINC001219621565	780126590	/nfs/dbraw/zinc/12/65/90/780126590.db2.gz	CTFAEMRXSMCNHX-HNCHTBHHSA-N	2	0	303.334	-1.684	20	0		DAADRP
O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2	ZINC001219635484	780128182	/nfs/dbraw/zinc/12/81/82/780128182.db2.gz	ITMBRVSLKAQMSP-LPEHRKFASA-N	2	0	305.375	-1.421	20	0		DAADRP
O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2	ZINC001219635483	780129215	/nfs/dbraw/zinc/12/92/15/780129215.db2.gz	ITMBRVSLKAQMSP-GUBZILKMSA-N	2	0	305.375	-1.421	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1	ZINC001219636046	780129341	/nfs/dbraw/zinc/12/93/41/780129341.db2.gz	VKWZSUTVWQIZOG-JBDRJPRFSA-N	2	0	303.338	-2.490	20	0		DAADRP
CN(C(=O)CCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C1CC1	ZINC001219692500	780135503	/nfs/dbraw/zinc/13/55/03/780135503.db2.gz	BQYXATKHGYGHFC-ZDUSSCGKSA-N	2	0	311.430	-1.136	20	0		DAADRP
O=C(NCCC1(O)C[NH2+]C1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2	ZINC001219694954	780135815	/nfs/dbraw/zinc/13/58/15/780135815.db2.gz	OIJIEBPITGKWJC-SNVBAGLBSA-N	2	0	321.385	-2.235	20	0		DAADRP
O=C(NCCC1(O)C[NH2+]C1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2	ZINC001219694950	780136268	/nfs/dbraw/zinc/13/62/68/780136268.db2.gz	OIJIEBPITGKWJC-JTQLQIEISA-N	2	0	321.385	-2.235	20	0		DAADRP
O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12	ZINC001219711808	780136648	/nfs/dbraw/zinc/13/66/48/780136648.db2.gz	IEPJVTZAJSKAHU-XQCUEUFKSA-N	2	0	316.361	-1.455	20	0		DAADRP
[NH3+][C@H]1COC[C@H]1NC(=O)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O	ZINC001219719921	780137838	/nfs/dbraw/zinc/13/78/38/780137838.db2.gz	AJVKIWZBKOYVDI-XJFOESAGSA-N	2	0	316.361	-1.059	20	0		DAADRP
COC(=O)CC[C@H]([NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2	ZINC001219746581	780140579	/nfs/dbraw/zinc/14/05/79/780140579.db2.gz	LCWUAWBKPGDXRS-VIFPVBQESA-N	2	0	310.358	-1.332	20	0		DAADRP
COC(=O)CC[C@@H]([NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2	ZINC001219746578	780140855	/nfs/dbraw/zinc/14/08/55/780140855.db2.gz	LCWUAWBKPGDXRS-SECBINFHSA-N	2	0	310.358	-1.332	20	0		DAADRP
CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CC2(C[NH2+]C2)CO1	ZINC001219739295	780141321	/nfs/dbraw/zinc/14/13/21/780141321.db2.gz	LCERBRUFQUHFRU-LOWVWBTDSA-N	2	0	312.414	-1.029	20	0		DAADRP
C[C@]1(C(=O)NCc2nnc3n2CCC[NH2+]C3)CC[NH2+]C[C@H]1O	ZINC001219748795	780141573	/nfs/dbraw/zinc/14/15/73/780141573.db2.gz	CLKOVHZXMYRPBQ-YGRLFVJLSA-N	2	0	308.386	-1.252	20	0		DAADRP
O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1NC(=O)CC12C[NH2+]C2	ZINC001219741359	780141833	/nfs/dbraw/zinc/14/18/33/780141833.db2.gz	HYVRUPOWQQOISB-DGCLKSJQSA-N	2	0	322.409	-1.118	20	0		DAADRP
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1	ZINC001219739885	780141849	/nfs/dbraw/zinc/14/18/49/780141849.db2.gz	XLPZCFVRCVSXAV-QJPTWQEYSA-N	2	0	311.382	-1.120	20	0		DAADRP
O=C(C[C@]1(O)CCC[NH2+]C1)NCc1nnc2n1CCC[NH2+]C2	ZINC001219750014	780142719	/nfs/dbraw/zinc/14/27/19/780142719.db2.gz	UKBBHIFXYITCBR-CQSZACIVSA-N	2	0	308.386	-1.108	20	0		DAADRP
O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@]12C[NH2+]C[C@@H]1CCN2	ZINC001219750201	780142904	/nfs/dbraw/zinc/14/29/04/780142904.db2.gz	XGVRGOXWXTWTKX-IINYFYTJSA-N	2	0	305.386	-1.661	20	0		DAADRP
NC(=O)NCCC[C@@H]([NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2	ZINC001219748995	780143258	/nfs/dbraw/zinc/14/32/58/780143258.db2.gz	GTDBLJSHNCDVHK-SECBINFHSA-N	2	0	324.389	-1.837	20	0		DAADRP
C[S@@](=O)CC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1	ZINC001219766552	780143890	/nfs/dbraw/zinc/14/38/90/780143890.db2.gz	WAMWREGSGWSGSS-UECADUQKSA-N	2	0	302.444	-1.508	20	0		DAADRP
O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)C1=NO[C@@]2(CC[NH2+]C2)C1	ZINC001219765147	780144200	/nfs/dbraw/zinc/14/42/00/780144200.db2.gz	WAIYZDDZUZZRGB-XUJVJEKNSA-N	2	0	307.398	-1.095	20	0		DAADRP
O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2	ZINC001219768304	780146464	/nfs/dbraw/zinc/14/64/64/780146464.db2.gz	LSOAYCZMCBFPRR-ZYHUDNBSSA-N	2	0	319.402	-1.029	20	0		DAADRP
O=C(NC[C@]1(F)CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2	ZINC001219768302	780146664	/nfs/dbraw/zinc/14/66/64/780146664.db2.gz	LSOAYCZMCBFPRR-JQWIXIFHSA-N	2	0	319.402	-1.029	20	0		DAADRP
NC(=O)NCCC[C@H]([NH3+])C(=O)NCC[C@@H]1CCOC12C[NH2+]C2	ZINC001219800261	780147476	/nfs/dbraw/zinc/14/74/76/780147476.db2.gz	INLNBFJAKXIOKR-MNOVXSKESA-N	2	0	313.402	-1.353	20	0		DAADRP
O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@H]1COC2(C[NH2+]C2)CN1	ZINC001219799995	780148173	/nfs/dbraw/zinc/14/81/73/780148173.db2.gz	FXKKEQJELPCKFI-VXGBXAGGSA-N	2	0	310.398	-1.798	20	0		DAADRP
[NH3+]CC(=O)N1CCC[C@H]1C(=O)NCC[C@H]1CCOC12C[NH2+]C2	ZINC001219800780	780148533	/nfs/dbraw/zinc/14/85/33/780148533.db2.gz	MZCTXCUINNBGIA-RYUDHWBXSA-N	2	0	310.398	-1.179	20	0		DAADRP
NC(=O)NCCC[C@@H]([NH3+])C(=O)NCC[C@H]1CCOC12C[NH2+]C2	ZINC001219800263	780148568	/nfs/dbraw/zinc/14/85/68/780148568.db2.gz	INLNBFJAKXIOKR-WDEREUQCSA-N	2	0	313.402	-1.353	20	0		DAADRP
C[S@](=O)CC[C@H]([NH3+])C(=O)NCC[C@@H]1CCOC12C[NH2+]C2	ZINC001219801389	780148908	/nfs/dbraw/zinc/14/89/08/780148908.db2.gz	YXRODLZRYFDYHB-NLQQUQSOSA-N	2	0	303.428	-1.033	20	0		DAADRP
O=C(NCc1noc2c1C[NH2+]CC2)[C@H]1NC(=O)CC12C[NH2+]C2	ZINC001219809538	780149662	/nfs/dbraw/zinc/14/96/62/780149662.db2.gz	OKMOCJNETLIDHB-GFCCVEGCSA-N	2	0	305.338	-1.585	20	0		DAADRP
NC(=O)NCCC[C@@H]([NH3+])C(=O)NCc1noc2c1C[NH2+]CC2	ZINC001219809958	780149860	/nfs/dbraw/zinc/14/98/60/780149860.db2.gz	XHIPKFXAICGMFN-SECBINFHSA-N	2	0	310.358	-1.288	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCc1noc2c1C[NH2+]CC2	ZINC001219811078	780151303	/nfs/dbraw/zinc/15/13/03/780151303.db2.gz	JJZVGQQDIKAXAC-CBAPKCEASA-N	2	0	311.342	-2.239	20	0		DAADRP
O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001219813574	780152015	/nfs/dbraw/zinc/15/20/15/780152015.db2.gz	VNXXWVSAKRBREW-HUBLWGQQSA-N	2	0	322.409	-1.546	20	0		DAADRP
C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@]12C[NH2+]C[C@H]1COC2	ZINC001219812761	780152383	/nfs/dbraw/zinc/15/23/83/780152383.db2.gz	IZIJUEWBNUMQSX-ASHKBJFXSA-N	2	0	310.398	-1.323	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1	ZINC001219831333	780153391	/nfs/dbraw/zinc/15/33/91/780153391.db2.gz	GXSZPBMYLXIWRL-ZZVYKPCYSA-N	3	0	311.430	-1.770	20	0		DAADRP
CC(=O)OC[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219833570	780153461	/nfs/dbraw/zinc/15/34/61/780153461.db2.gz	DZKCQBWTCWSKDC-DYEKYZERSA-N	2	0	315.370	-1.612	20	0		DAADRP
O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]C[C@@H](O)C1	ZINC001219834710	780153483	/nfs/dbraw/zinc/15/34/83/780153483.db2.gz	SKAXQTVDMNBOHN-CXTNEJHOSA-N	2	0	313.398	-1.532	20	0		DAADRP
C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1	ZINC001219831357	780153502	/nfs/dbraw/zinc/15/35/02/780153502.db2.gz	HPQYPKDSRDYSOH-QWQWKMKNSA-N	2	0	310.398	-1.182	20	0		DAADRP
O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C1(O)CC[NH2+]CC1	ZINC001219835165	780153510	/nfs/dbraw/zinc/15/35/10/780153510.db2.gz	YLVDXZWCTQGUDE-OCCSQVGLSA-N	2	0	313.398	-1.388	20	0		DAADRP
CC(C)(O)[C@H]([NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219834314	780153551	/nfs/dbraw/zinc/15/35/51/780153551.db2.gz	PKTTUIOLBKENPJ-MISXGVKJSA-N	2	0	301.387	-1.404	20	0		DAADRP
[NH3+][C@@H](Cn1cccn1)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219834877	780153588	/nfs/dbraw/zinc/15/35/88/780153588.db2.gz	TWASEUZVEXISIN-YDHLFZDLSA-N	2	0	323.397	-1.278	20	0		DAADRP
CC(=O)OC[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219833573	780153596	/nfs/dbraw/zinc/15/35/96/780153596.db2.gz	DZKCQBWTCWSKDC-MBNYWOFBSA-N	2	0	315.370	-1.612	20	0		DAADRP
O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001219831189	780153647	/nfs/dbraw/zinc/15/36/47/780153647.db2.gz	ASRXEQVTWUWKFI-LPWJVIDDSA-N	2	0	322.409	-1.405	20	0		DAADRP
[NH3+][C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219833348	780153821	/nfs/dbraw/zinc/15/38/21/780153821.db2.gz	CCQDRARTRBEHJU-UXIGCNINSA-N	2	0	323.397	-1.209	20	0		DAADRP
O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C1=NO[C@@H]2C[NH2+]C[C@H]12	ZINC001219834058	780153870	/nfs/dbraw/zinc/15/38/70/780153870.db2.gz	NYWRBEMAUUGQFO-OHTBPHCPSA-N	2	0	324.381	-1.528	20	0		DAADRP
O=C(CN1CC[NH2+]CC1)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219838210	780154607	/nfs/dbraw/zinc/15/46/07/780154607.db2.gz	OTEJVJNOTVHAKZ-DZGCQCFKSA-N	2	0	312.414	-1.597	20	0		DAADRP
N[C@]1(C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)CCC[NH2+]C1	ZINC001219836670	780154625	/nfs/dbraw/zinc/15/46/25/780154625.db2.gz	BSWLQIZPZBCVFW-NWANDNLSSA-N	2	0	312.414	-1.421	20	0		DAADRP
N[C@]1(C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)CCC[NH2+]C1	ZINC001219836669	780154785	/nfs/dbraw/zinc/15/47/85/780154785.db2.gz	BSWLQIZPZBCVFW-BPLDGKMQSA-N	2	0	312.414	-1.421	20	0		DAADRP
[NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219836783	780154828	/nfs/dbraw/zinc/15/48/28/780154828.db2.gz	FBFNYRRANNJEAT-YDHLFZDLSA-N	3	0	314.430	-1.046	20	0		DAADRP
CN1CC[NH2+]C[C@@H]1C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219837658	780155009	/nfs/dbraw/zinc/15/50/09/780155009.db2.gz	KORGYRHJIVYIIU-NFAWXSAZSA-N	2	0	312.414	-1.599	20	0		DAADRP
CN1CC[NH2+]C[C@@H]1C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219837657	780155065	/nfs/dbraw/zinc/15/50/65/780155065.db2.gz	KORGYRHJIVYIIU-GZBFAFLISA-N	2	0	312.414	-1.599	20	0		DAADRP
C[NH2+][C@H](C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H](C)O	ZINC001219837487	780155120	/nfs/dbraw/zinc/15/51/20/780155120.db2.gz	JXGNGQUKYIBDCJ-UHXUPSOCSA-N	2	0	301.387	-1.534	20	0		DAADRP
O=C(C[C@H]1C[NH2+]CCO1)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219838028	780155431	/nfs/dbraw/zinc/15/54/31/780155431.db2.gz	NUJJMXKLFBOSTJ-YDHLFZDLSA-N	2	0	313.398	-1.124	20	0		DAADRP
O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1NC(=O)CC12C[NH2+]C2	ZINC001219850381	780156659	/nfs/dbraw/zinc/15/66/59/780156659.db2.gz	RSYWZRMDKJYXNV-KQXIARHKSA-N	2	0	308.382	-1.795	20	0		DAADRP
COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1	ZINC001219845797	780156716	/nfs/dbraw/zinc/15/67/16/780156716.db2.gz	SXODHOSFOBTYGD-MQYQWHSLSA-N	2	0	317.430	-1.259	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12	ZINC001219854312	780157379	/nfs/dbraw/zinc/15/73/79/780157379.db2.gz	HOXBGISVMCWNFU-KXUCPTDWSA-N	2	0	306.388	-2.690	20	0		DAADRP
O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1nnn2c1CNCC2	ZINC001219854890	780157643	/nfs/dbraw/zinc/15/76/43/780157643.db2.gz	ZVHMVCMELVKACU-JBLDHEPKSA-N	2	0	306.370	-1.264	20	0		DAADRP
COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)[C@@H](C)O	ZINC001219881004	780159262	/nfs/dbraw/zinc/15/92/62/780159262.db2.gz	OJSBGSRNSXWZAM-MIMYLULJSA-N	2	0	302.375	-2.225	20	0		DAADRP
C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCC[NH2+]CCO)COC1(C)C	ZINC001219919151	780162425	/nfs/dbraw/zinc/16/24/25/780162425.db2.gz	ZBVADXUHEVDMOJ-UWVGGRQHSA-N	2	0	302.375	-2.005	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)NCCNC(=O)c1ccncc1	ZINC001219938765	780164774	/nfs/dbraw/zinc/16/47/74/780164774.db2.gz	CXXJSAPIZWYYET-NSHDSACASA-N	2	0	311.411	-1.053	20	0		DAADRP
CS(=O)(=O)N(C(=O)[C@@H]1C[NH2+]CCN1)c1ccc(C[NH3+])cc1	ZINC001219938735	780164861	/nfs/dbraw/zinc/16/48/61/780164861.db2.gz	BQZUHSXSSOYZMI-LBPRGKRZSA-N	2	0	312.395	-1.001	20	0		DAADRP
CCC[NH+]1CCC(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC1	ZINC001219954863	780165576	/nfs/dbraw/zinc/16/55/76/780165576.db2.gz	VXYRTRKNJPHDCM-JQWIXIFHSA-N	2	0	300.403	-1.199	20	0		DAADRP
CNS(=O)(=O)CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1	ZINC001219961463	780167533	/nfs/dbraw/zinc/16/75/33/780167533.db2.gz	MEISKTVPYXDUKS-SNVBAGLBSA-N	2	0	304.416	-1.474	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCCc1c[nH][nH]c1=O	ZINC001219969478	780167707	/nfs/dbraw/zinc/16/77/07/780167707.db2.gz	BIAZAGFQERVWSZ-JQWIXIFHSA-N	2	0	310.402	-1.635	20	0		DAADRP
COC(=O)C1(NC(=O)[C@H]2C[NH2+]C[C@H]2OC(C)=O)CC[NH2+]CC1	ZINC001220001814	780168625	/nfs/dbraw/zinc/16/86/25/780168625.db2.gz	XPDGJZTXRAGWEQ-WDEREUQCSA-N	2	0	313.354	-1.451	20	0		DAADRP
COC(=O)C1(NC(=O)[C@@H]2C[NH2+]C[C@@H]2OC(C)=O)CC[NH2+]CC1	ZINC001220001812	780169067	/nfs/dbraw/zinc/16/90/67/780169067.db2.gz	XPDGJZTXRAGWEQ-MNOVXSKESA-N	2	0	313.354	-1.451	20	0		DAADRP
COC(=O)C1(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC[NH2+]CC1	ZINC001219999552	780169205	/nfs/dbraw/zinc/16/92/05/780169205.db2.gz	XDOMMJSYKXNXCG-JTQLQIEISA-N	2	0	312.370	-2.272	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)n1cnc(C[NH3+])cc1=N	ZINC001220020418	780171834	/nfs/dbraw/zinc/17/18/34/780171834.db2.gz	HWALWIIJDDUTFB-UHFFFAOYSA-N	2	0	302.360	-2.318	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC1(CO)CCOCC1	ZINC001220018694	780172576	/nfs/dbraw/zinc/17/25/76/780172576.db2.gz	OGOYVQPKJCZIHG-LBPRGKRZSA-N	2	0	300.403	-1.606	20	0		DAADRP
Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001220045422	780173122	/nfs/dbraw/zinc/17/31/22/780173122.db2.gz	YSXSFVHBOAETFP-LBPRGKRZSA-N	3	0	307.402	-1.480	20	0		DAADRP
CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N(CCCC[NH3+])C(N)=[NH2+]	ZINC001220103012	780178162	/nfs/dbraw/zinc/17/81/62/780178162.db2.gz	CFRPGYLGSGFJCX-JTQLQIEISA-N	3	0	300.407	-1.063	20	0		DAADRP
C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O	ZINC001220118093	780180546	/nfs/dbraw/zinc/18/05/46/780180546.db2.gz	SFPMXPVICXOMBN-MLGHIDQZSA-N	2	0	303.403	-1.736	20	0		DAADRP
CO[C@@H]1COCC[C@H]1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001220141442	780184650	/nfs/dbraw/zinc/18/46/50/780184650.db2.gz	MXDDPGSVNNDUPQ-JHJVBQTASA-N	2	0	300.403	-1.343	20	0		DAADRP
CO[C@@H]1COCC[C@H]1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001220141443	780184764	/nfs/dbraw/zinc/18/47/64/780184764.db2.gz	MXDDPGSVNNDUPQ-YNEHKIRRSA-N	2	0	300.403	-1.343	20	0		DAADRP
[NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C1	ZINC001220150312	780185894	/nfs/dbraw/zinc/18/58/94/780185894.db2.gz	YMDGSTKCEMQUQD-AXFHLTTASA-N	2	0	305.386	-1.222	20	0		DAADRP
[NH3+][C@H]1C[C@@H](CNC(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C1	ZINC001220150313	780186304	/nfs/dbraw/zinc/18/63/04/780186304.db2.gz	YMDGSTKCEMQUQD-OUAUKWLOSA-N	2	0	305.386	-1.222	20	0		DAADRP
O=C(N[C@@H]1COCCC12OCCO2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001220172837	780187527	/nfs/dbraw/zinc/18/75/27/780187527.db2.gz	CECZSZQGWFFCHB-YRGRVCCFSA-N	2	0	311.382	-1.166	20	0		DAADRP
Cn1ccc(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc1=O	ZINC001220179773	780189281	/nfs/dbraw/zinc/18/92/81/780189281.db2.gz	RNQOOSJSKLPWOP-CYBMUJFWSA-N	2	0	307.398	-1.248	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1CCNC(=O)CN(CC[NH3+])S(C)(=O)=O	ZINC001220252058	780196497	/nfs/dbraw/zinc/19/64/97/780196497.db2.gz	MZTOZYCMMICAJO-LLVKDONJSA-N	2	0	306.432	-1.193	20	0		DAADRP
CN(C)S(=O)(=O)CCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001220268388	780197229	/nfs/dbraw/zinc/19/72/29/780197229.db2.gz	GQPHWELUVXPNGG-LLVKDONJSA-N	2	0	321.447	-2.256	20	0		DAADRP
NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC001220274659	780198369	/nfs/dbraw/zinc/19/83/69/780198369.db2.gz	MUHBILKIVHQPEX-QWRGUYRKSA-N	2	0	313.402	-1.575	20	0		DAADRP
CN(C)S(=O)(=O)CCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001220268444	780198757	/nfs/dbraw/zinc/19/87/57/780198757.db2.gz	JCTAVXQJBSAWAK-ZYHUDNBSSA-N	2	0	304.416	-1.807	20	0		DAADRP
O=C(N[C@H]1CC[NH2+]C1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2	ZINC001220283485	780199936	/nfs/dbraw/zinc/19/99/36/780199936.db2.gz	WZAIIKQJOUIRLE-QWRGUYRKSA-N	2	0	301.412	-1.121	20	0		DAADRP
C[N@@H+]1CCCN(CCNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1	ZINC001220303872	780200063	/nfs/dbraw/zinc/20/00/63/780200063.db2.gz	HABLSYYOLDRXAZ-GDBMZVCRSA-N	3	0	309.458	-1.061	20	0		DAADRP
C[N@@H+]1CCCN(CCNC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1	ZINC001220304318	780200105	/nfs/dbraw/zinc/20/01/05/780200105.db2.gz	YCXUKBVIIWIRPN-ZDUSSCGKSA-N	2	0	311.430	-1.930	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H](CO)Cc1c[nH]cn1	ZINC001220292071	780200497	/nfs/dbraw/zinc/20/04/97/780200497.db2.gz	ZMWSWWHUZAQGAW-OLZOCXBDSA-N	2	0	310.402	-1.820	20	0		DAADRP
NC(=O)NCCC[C@H]([NH3+])C(=O)NCc1ncn2c1C[NH2+]CCC2	ZINC001220310438	780201247	/nfs/dbraw/zinc/20/12/47/780201247.db2.gz	AOLJRVAWRVCHBT-JTQLQIEISA-N	2	0	323.401	-1.232	20	0		DAADRP
NC(=O)NCCC[C@@H]([NH3+])C(=O)NCc1ncn2c1C[NH2+]CCC2	ZINC001220310439	780201328	/nfs/dbraw/zinc/20/13/28/780201328.db2.gz	AOLJRVAWRVCHBT-SNVBAGLBSA-N	2	0	323.401	-1.232	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCCN1CCC[N@H+](C)CC1	ZINC001220307042	780201501	/nfs/dbraw/zinc/20/15/01/780201501.db2.gz	RENKTUWMSSLQBJ-RYUDHWBXSA-N	2	0	315.418	-2.436	20	0		DAADRP
O=C(NCc1ncn2c1C[NH2+]CCC2)[C@@H]1COC2(C[NH2+]C2)CN1	ZINC001220310452	780201844	/nfs/dbraw/zinc/20/18/44/780201844.db2.gz	AQGWPIZBYNUPNA-LBPRGKRZSA-N	2	0	320.397	-1.677	20	0		DAADRP
O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1NC(=O)CC12C[NH2+]C2	ZINC001220315974	780202573	/nfs/dbraw/zinc/20/25/73/780202573.db2.gz	KYXMTDVWOKETEK-ITDIGPHOSA-N	2	0	308.382	-1.508	20	0		DAADRP
CCOC(=O)C1(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC[NH+](C)CC1	ZINC001220345975	780204063	/nfs/dbraw/zinc/20/40/63/780204063.db2.gz	VEYAZBPREDHSQK-LBPRGKRZSA-N	3	0	324.425	-1.061	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCCc2ccc(C[NH3+])nc21	ZINC001220377057	780206366	/nfs/dbraw/zinc/20/63/66/780206366.db2.gz	ITSHOZPPXIKHLN-CABZTGNLSA-N	2	0	321.381	-1.356	20	0		DAADRP
Cn1c(=O)cc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)[nH]c1=O	ZINC001220424887	780212351	/nfs/dbraw/zinc/21/23/51/780212351.db2.gz	XUQFBWPPWNIWHO-VIFPVBQESA-N	2	0	310.358	-1.825	20	0		DAADRP
Cn1c(=O)cc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)[nH]c1=O	ZINC001220424886	780212637	/nfs/dbraw/zinc/21/26/37/780212637.db2.gz	XUQFBWPPWNIWHO-SECBINFHSA-N	2	0	310.358	-1.825	20	0		DAADRP
O=C(NC[C@H]1COCC[NH2+]1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2	ZINC001220429435	780213689	/nfs/dbraw/zinc/21/36/89/780213689.db2.gz	RMGIQPLFBSFUTM-WDEREUQCSA-N	2	0	321.385	-1.971	20	0		DAADRP
O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2	ZINC001220428672	780214674	/nfs/dbraw/zinc/21/46/74/780214674.db2.gz	CJBDBHJZEZAUIS-UWVGGRQHSA-N	2	0	303.384	-2.132	20	0		DAADRP
CC(C)[C@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C(=O)N1CCOCC1	ZINC001220453480	780216384	/nfs/dbraw/zinc/21/63/84/780216384.db2.gz	DMPUVEIUJCFNIP-STQMWFEESA-N	2	0	324.425	-1.205	20	0		DAADRP
CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C2(N)CC[NH2+]CC2)O1	ZINC001220481755	780217678	/nfs/dbraw/zinc/21/76/78/780217678.db2.gz	PYCYRQKSHRZPDU-UTUOFQBUSA-N	2	0	300.403	-1.092	20	0		DAADRP
CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@]2(N)CCC[NH2+]C2)O1	ZINC001220481854	780217759	/nfs/dbraw/zinc/21/77/59/780217759.db2.gz	SYUBGIYWCQFSIS-NRWUCQMLSA-N	2	0	300.403	-1.092	20	0		DAADRP
CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]([NH3+])CSCC[NH3+])O1	ZINC001220481519	780218413	/nfs/dbraw/zinc/21/84/13/780218413.db2.gz	JRFMIMSZJHTTDG-SBFPOUOMSA-N	3	0	320.459	-1.153	20	0		DAADRP
COCCOCCOCCOCCNC(=O)C[NH2+]CCC[NH3+]	ZINC001220514347	780219839	/nfs/dbraw/zinc/21/98/39/780219839.db2.gz	HGHZFHXAPJVWHI-UHFFFAOYSA-N	2	0	321.418	-1.263	20	0		DAADRP
CC(=O)NCSC[C@H]([NH3+])C(=O)NCCOCCOCC[NH3+]	ZINC001220519099	780221040	/nfs/dbraw/zinc/22/10/40/780221040.db2.gz	AWUXXGUAWVUXAO-NSHDSACASA-N	2	0	322.431	-1.751	20	0		DAADRP
CN(CC[NH3+])CCNC(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2	ZINC001220516132	780221890	/nfs/dbraw/zinc/22/18/90/780221890.db2.gz	PDNPBUUYSONMID-NSHDSACASA-N	2	0	322.417	-2.069	20	0		DAADRP
CN(CC[NH3+])CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1	ZINC001220517378	780221895	/nfs/dbraw/zinc/22/18/95/780221895.db2.gz	JKKBSBJKCZZFMV-STQMWFEESA-N	2	0	311.430	-1.264	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)CC[NH2+]C1	ZINC001220521973	780222553	/nfs/dbraw/zinc/22/25/53/780222553.db2.gz	WAOMRGDTTIANJL-ZUZCIYMTSA-N	3	0	308.382	-1.135	20	0		DAADRP
[NH3+]CCOCCOCCNC(=O)c1cnc2n1CC[NH2+]CC2	ZINC001220521319	780222891	/nfs/dbraw/zinc/22/28/91/780222891.db2.gz	BWUBCZCJEAYJSG-UHFFFAOYSA-N	2	0	311.386	-1.250	20	0		DAADRP
C[NH2+][C@@H]1CCCN(CC(=O)NCCOCCOCC[NH3+])C1	ZINC001220519248	780223024	/nfs/dbraw/zinc/22/30/24/780223024.db2.gz	HVFJDHKSINNXPR-CYBMUJFWSA-N	2	0	302.419	-1.222	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])Cc2nnn[n-]2)CC[NH2+]C1	ZINC001220521732	780223315	/nfs/dbraw/zinc/22/33/15/780223315.db2.gz	MODWOZRRKPZPNO-QMMMGPOBSA-N	2	0	309.330	-2.004	20	0		DAADRP
CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)NCCOCCOCC[NH3+]	ZINC001220519335	780223541	/nfs/dbraw/zinc/22/35/41/780223541.db2.gz	KLJGNKNFWPYNEY-NEPJUHHUSA-N	2	0	303.359	-1.754	20	0		DAADRP
CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1COC2(C[NH2+]C2)CN1	ZINC001220582987	780229795	/nfs/dbraw/zinc/22/97/95/780229795.db2.gz	AUBHKQSQKVQEJD-JTQLQIEISA-N	2	0	300.359	-2.333	20	0		DAADRP
COC(=O)CNC(=O)CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1	ZINC001220576211	780230490	/nfs/dbraw/zinc/23/04/90/780230490.db2.gz	VMYPSTQXZMZYNM-JTQLQIEISA-N	2	0	312.370	-1.734	20	0		DAADRP
C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)CC1	ZINC001220637971	780236913	/nfs/dbraw/zinc/23/69/13/780236913.db2.gz	QFNZNNKOTRWOSU-KGLIPLIRSA-N	2	0	315.414	-1.359	20	0		DAADRP
C[C@H](O)C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1	ZINC001220642486	780237475	/nfs/dbraw/zinc/23/74/75/780237475.db2.gz	DCHJVDMAGASTGH-YUTCNCBUSA-N	2	0	315.414	-1.361	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC001220680612	780239532	/nfs/dbraw/zinc/23/95/32/780239532.db2.gz	KLJAQMSZSUWXLQ-GDNZZTSVSA-N	2	0	318.443	-1.004	20	0		DAADRP
C[C@H]1COCCN1CCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001220724124	780243849	/nfs/dbraw/zinc/24/38/49/780243849.db2.gz	DZLHPXLXCUIQAR-JSGCOSHPSA-N	2	0	313.446	-1.426	20	0		DAADRP
[NH3+]CCC[NH2+]CC(=O)NCCCN1CCS(=O)(=O)CC1	ZINC001220756864	780244901	/nfs/dbraw/zinc/24/49/01/780244901.db2.gz	MCSDGWDENYNVFQ-UHFFFAOYSA-N	2	0	306.432	-1.839	20	0		DAADRP
COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1	ZINC001220771351	780247379	/nfs/dbraw/zinc/24/73/79/780247379.db2.gz	PJNPTRVMCRYLCL-XQQFMLRXSA-N	2	0	313.398	-1.749	20	0		DAADRP
O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@@H]1COC2(C[NH2+]C2)CN1	ZINC001220800020	780248708	/nfs/dbraw/zinc/24/87/08/780248708.db2.gz	KIVHLRRHSXRTJY-BBBLOLIVSA-N	2	0	322.331	-1.027	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@H](CC)C(N)=O)C[C@@H]1O	ZINC001220831028	780250046	/nfs/dbraw/zinc/25/00/46/780250046.db2.gz	NFJZLNYDJZPHME-UTUOFQBUSA-N	2	0	300.403	-1.247	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C[NH2+]C1	ZINC001220827413	780250078	/nfs/dbraw/zinc/25/00/78/780250078.db2.gz	MLJAXBJIWSNMNN-NSHDSACASA-N	2	0	310.354	-2.147	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CSCC[NH3+])C[NH2+]C1	ZINC001220830500	780250159	/nfs/dbraw/zinc/25/01/59/780250159.db2.gz	ZDXFPCKDNWENCC-VIFPVBQESA-N	3	0	302.400	-1.458	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])Cc2cncn2C)C[NH2+]C1	ZINC001220826021	780251017	/nfs/dbraw/zinc/25/10/17/780251017.db2.gz	XXJJEXNGRKFBDS-NSHDSACASA-N	2	0	307.354	-1.174	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@@H]1O	ZINC001220829157	780251054	/nfs/dbraw/zinc/25/10/54/780251054.db2.gz	LAXMLLOUIGQOKJ-AGIUHOORSA-N	2	0	312.414	-1.232	20	0		DAADRP
CCOC(=O)C1(NC(=O)[C@H]2C[NH2+]Cc3ccnn3C2)C[NH2+]C1	ZINC001220849209	780252490	/nfs/dbraw/zinc/25/24/90/780252490.db2.gz	WFQWHHZODVYXGU-JTQLQIEISA-N	2	0	307.354	-1.376	20	0		DAADRP
C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCCN(CC[NH3+])N(O)N=O	ZINC001220900772	780256598	/nfs/dbraw/zinc/25/65/98/780256598.db2.gz	PNVZGALURPBXIF-NSHDSACASA-N	3	0	319.410	-1.290	20	0		DAADRP
[NH3+]CCN(CCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)N(O)N=O	ZINC001220901395	780256980	/nfs/dbraw/zinc/25/69/80/780256980.db2.gz	YFLAHBUVUKRRHW-ZYHUDNBSSA-N	3	0	315.378	-2.150	20	0		DAADRP
CS(=O)(=O)N1CCC(CNC(=O)[C@@H]([NH3+])CCC[NH3+])CC1	ZINC001220923186	780258303	/nfs/dbraw/zinc/25/83/03/780258303.db2.gz	BAQHAVPISMZCSB-NSHDSACASA-N	2	0	306.432	-1.160	20	0		DAADRP
CS(=O)(=O)N1CCC(CNC(=O)[C@H]([NH3+])CCC[NH3+])CC1	ZINC001220923185	780258791	/nfs/dbraw/zinc/25/87/91/780258791.db2.gz	BAQHAVPISMZCSB-LLVKDONJSA-N	2	0	306.432	-1.160	20	0		DAADRP
CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NCCO[C@@H]1CC[NH2+]C1	ZINC001220936174	780260043	/nfs/dbraw/zinc/26/00/43/780260043.db2.gz	DBNFNRZWHIVCQJ-NEPJUHHUSA-N	2	0	300.403	-1.029	20	0		DAADRP
O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001220936746	780261198	/nfs/dbraw/zinc/26/11/98/780261198.db2.gz	IRWKCJUQOKMHNH-NEPJUHHUSA-N	2	0	310.398	-1.403	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)n1cc(C[NH3+])cnc1=N	ZINC001220950790	780263003	/nfs/dbraw/zinc/26/30/03/780263003.db2.gz	GHJYGTDZNXICJU-UHFFFAOYSA-N	2	0	302.360	-2.318	20	0		DAADRP
C[C@H]([NH3+])C(=O)N1[C@H](C(=O)n2cc(C[NH3+])cnc2=N)COC1(C)C	ZINC001220950641	780263141	/nfs/dbraw/zinc/26/31/41/780263141.db2.gz	ATXIKCKRNBFXFQ-WPRPVWTQSA-N	2	0	322.369	-1.228	20	0		DAADRP
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1	ZINC001221007172	780268163	/nfs/dbraw/zinc/26/81/63/780268163.db2.gz	YQBYSNXNSLEKQK-CYDGBPFRSA-N	2	0	312.414	-1.328	20	0		DAADRP
COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO	ZINC001221190426	780283617	/nfs/dbraw/zinc/28/36/17/780283617.db2.gz	NCDIEQSOYKVKCJ-CIUDSAMLSA-N	2	0	304.347	-2.793	20	0		DAADRP
CC(C)(C)[NH+]1CC(NC(=O)CN(CC[NH3+])S(C)(=O)=O)C1	ZINC001221194074	780284575	/nfs/dbraw/zinc/28/45/75/780284575.db2.gz	LBPCZICREQIWEV-UHFFFAOYSA-N	2	0	306.432	-1.194	20	0		DAADRP
O=C(CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)NCC(F)(F)F	ZINC001221278191	780288547	/nfs/dbraw/zinc/28/85/47/780288547.db2.gz	JWNURGNYWVUBPO-LDYMZIIASA-N	2	0	308.304	-1.020	20	0		DAADRP
CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](N)CCCNC(N)=O	ZINC001221391083	780291952	/nfs/dbraw/zinc/29/19/52/780291952.db2.gz	WLXIULGNUVJNFM-SNVBAGLBSA-N	2	0	315.422	-1.174	20	0		DAADRP
COc1cccc([C@@H](C[NH3+])NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)c1	ZINC001221405084	780292391	/nfs/dbraw/zinc/29/23/91/780292391.db2.gz	PWBYOHVCIFOQBL-TVYUQYBPSA-N	2	0	324.381	-1.365	20	0		DAADRP
CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1COC2(C[NH2+]C2)CN1	ZINC001221389050	780292405	/nfs/dbraw/zinc/29/24/05/780292405.db2.gz	HEEFGYRNGVZXFD-NSHDSACASA-N	3	0	312.418	-1.619	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@@H]1C[NH2+]CC[C@H]1F)C(N)=O	ZINC001221367597	780292729	/nfs/dbraw/zinc/29/27/29/780292729.db2.gz	RIPKWRGYNLTKJV-SGIHWFKDSA-N	2	0	317.365	-2.100	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@H](C1CCC1)C1C[NH2+]C1	ZINC001221411026	780295168	/nfs/dbraw/zinc/29/51/68/780295168.db2.gz	TYQXCXZNPIGPPY-CYBMUJFWSA-N	2	0	318.443	-1.289	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCC1CC[NH+](CC(N)=O)CC1	ZINC001225154564	780325480	/nfs/dbraw/zinc/32/54/80/780325480.db2.gz	BIYHUIRSKFCSHD-UHFFFAOYSA-N	2	0	300.403	-1.122	20	0		DAADRP
CN(C[C@@H]1CCN1CCOCCO)C(=O)[C@@H]1CN(C)CCO1	ZINC001231368809	780380353	/nfs/dbraw/zinc/38/03/53/780380353.db2.gz	OMPUDKGSNXUSMN-KBPBESRZSA-N	2	0	315.414	-1.141	20	0		DAADRP
CN(C[C@H]1CCN1CCOCCO)C(=O)[C@@H]1CN(C)CCO1	ZINC001231368817	780381679	/nfs/dbraw/zinc/38/16/79/780381679.db2.gz	OMPUDKGSNXUSMN-KGLIPLIRSA-N	2	0	315.414	-1.141	20	0		DAADRP
Cn1cc(C[NH+]2CCN(CC[NH+](C)C)CC2)c(=O)n(C)c1=O	ZINC001231766761	780383677	/nfs/dbraw/zinc/38/36/77/780383677.db2.gz	GINYRKJSXKPVHE-UHFFFAOYSA-N	2	0	309.414	-1.237	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1c[nH]c(=O)[nH]c1=O	ZINC001236312360	780421051	/nfs/dbraw/zinc/42/10/51/780421051.db2.gz	RBGHWTRKWFZTAY-UHFFFAOYSA-N	2	0	312.374	-1.496	20	0		DAADRP
O=C(NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O)C12CC[NH+](CC1)C2	ZINC001278178390	780433211	/nfs/dbraw/zinc/43/32/11/780433211.db2.gz	FSBCHLVYMMJIRJ-GHMZBOCLSA-N	2	0	324.381	-2.046	20	0		DAADRP
O=C1C[C@H]2[NH2+]CC[C@@]2(NS(=O)(=O)CC2CC[NH2+]CC2)N1	ZINC001238334580	780436631	/nfs/dbraw/zinc/43/66/31/780436631.db2.gz	YYHQLIAVISBRPP-PWSUYJOCSA-N	2	0	302.400	-1.517	20	0		DAADRP
O=S(=O)(N[C@@H]1CCS(=O)(=O)C12C[NH2+]C2)C1CC[NH2+]CC1	ZINC001238244530	780436957	/nfs/dbraw/zinc/43/69/57/780436957.db2.gz	XAWUIBOOHBPVCA-SNVBAGLBSA-N	2	0	323.440	-1.813	20	0		DAADRP
O=S(=O)(N[C@H]1CCS(=O)(=O)C12C[NH2+]C2)C1CC[NH2+]CC1	ZINC001238244528	780436985	/nfs/dbraw/zinc/43/69/85/780436985.db2.gz	XAWUIBOOHBPVCA-JTQLQIEISA-N	2	0	323.440	-1.813	20	0		DAADRP
O=S(=O)(CC1CC[NH2+]CC1)NCCC[NH+](CCO)CCO	ZINC001238366631	780437029	/nfs/dbraw/zinc/43/70/29/780437029.db2.gz	BBMJXUBUUOWDOB-UHFFFAOYSA-N	2	0	323.459	-1.418	20	0		DAADRP
O=S(=O)(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)C1CC[NH2+]CC1	ZINC001238260337	780437061	/nfs/dbraw/zinc/43/70/61/780437061.db2.gz	WDSGBPDOEGWEHS-NEPJUHHUSA-N	2	0	302.444	-1.049	20	0		DAADRP
O=S(=O)(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1CC[NH2+]C1	ZINC001238255576	780437139	/nfs/dbraw/zinc/43/71/39/780437139.db2.gz	ILVYVIAOCZWXHL-SECBINFHSA-N	2	0	300.388	-1.447	20	0		DAADRP
CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)[C@@H]1CC[NH2+]C1	ZINC001238411864	780437158	/nfs/dbraw/zinc/43/71/58/780437158.db2.gz	HGONGJCSYIQRBX-MXWKQRLJSA-N	2	0	305.400	-1.191	20	0		DAADRP
[NH3+]CCOCCOCCNS(=O)(=O)CC1CC[NH2+]CC1	ZINC001238615622	780438485	/nfs/dbraw/zinc/43/84/85/780438485.db2.gz	XKMNVLIBQSPSHS-UHFFFAOYSA-N	2	0	309.432	-1.103	20	0		DAADRP
COC(=O)[C@H](NS(=O)(=O)[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1	ZINC001238705874	780439300	/nfs/dbraw/zinc/43/93/00/780439300.db2.gz	DQXWYZNRMNPUJL-GHMZBOCLSA-N	2	0	305.400	-1.191	20	0		DAADRP
COC(=O)CC1(NS(=O)(=O)[C@@H]2CC[NH2+]C2)CC[NH2+]CC1	ZINC001238808001	780439684	/nfs/dbraw/zinc/43/96/84/780439684.db2.gz	MMDXRBRVJORPLI-SNVBAGLBSA-N	2	0	305.400	-1.047	20	0		DAADRP
[NH3+]CCCC[C@H](NS(=O)(=O)CC[NH3+])C(=O)N1CCCC1	ZINC001238916398	780439724	/nfs/dbraw/zinc/43/97/24/780439724.db2.gz	DVSZBVRTSIRWOP-NSHDSACASA-N	2	0	306.432	-1.016	20	0		DAADRP
COC(=O)[C@@H](NS(=O)(=O)C1CC[NH2+]CC1)[C@H]1CC[NH2+]C1	ZINC001238898263	780439757	/nfs/dbraw/zinc/43/97/57/780439757.db2.gz	PQTCJNQJGFDUHM-ONGXEEELSA-N	2	0	305.400	-1.191	20	0		DAADRP
O=S(=O)(CC1CC[NH2+]CC1)N1CCNC[C@]12CC[NH2+]C2	ZINC001239026748	780440709	/nfs/dbraw/zinc/44/07/09/780440709.db2.gz	RFEUYBWHVCWZPL-CYBMUJFWSA-N	2	0	302.444	-1.047	20	0		DAADRP
O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2C[NH2+]C[C@@]2(CO)C1	ZINC001239023345	780440975	/nfs/dbraw/zinc/44/09/75/780440975.db2.gz	PMYWMLLERMUSJO-OLZOCXBDSA-N	2	0	303.428	-1.171	20	0		DAADRP
O=C1CN(S(=O)(=O)CC2CC[NH2+]CC2)[C@@]2(CC[NH2+]C2)CN1	ZINC001239005835	780441036	/nfs/dbraw/zinc/44/10/36/780441036.db2.gz	SMPXINZWFKIFSL-CYBMUJFWSA-N	2	0	316.427	-1.520	20	0		DAADRP
O=S(=O)(C1CC[NH2+]CC1)N1CCOC[C@]2(C[NH2+]CCO2)C1	ZINC001239000952	780441233	/nfs/dbraw/zinc/44/12/33/780441233.db2.gz	PQTRFFMJLFXQGK-ZDUSSCGKSA-N	2	0	319.427	-1.241	20	0		DAADRP
O=C1NCC[C@]12CN(S(=O)(=O)[C@H]1CC[NH2+]C1)CC21C[NH2+]C1	ZINC001239014884	780441241	/nfs/dbraw/zinc/44/12/41/780441241.db2.gz	ZOVDBENQKUVDLU-GWCFXTLKSA-N	2	0	314.411	-1.910	20	0		DAADRP
O=S(=O)(CC1CC[NH2+]CC1)N1CCNC[C@@]12CC[NH2+]C2	ZINC001239026758	780441251	/nfs/dbraw/zinc/44/12/51/780441251.db2.gz	RFEUYBWHVCWZPL-ZDUSSCGKSA-N	2	0	302.444	-1.047	20	0		DAADRP
O=S(=O)([C@H]1CC[NH2+]C1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1	ZINC001239043546	780441263	/nfs/dbraw/zinc/44/12/63/780441263.db2.gz	DSPYZSKRNOOOIV-STQMWFEESA-N	2	0	319.427	-1.241	20	0		DAADRP
O=C1CN(S(=O)(=O)CC2CC[NH2+]CC2)[C@]2(CC[NH2+]C2)CN1	ZINC001239005836	780441295	/nfs/dbraw/zinc/44/12/95/780441295.db2.gz	SMPXINZWFKIFSL-ZDUSSCGKSA-N	2	0	316.427	-1.520	20	0		DAADRP
O=C1CN(S(=O)(=O)C2CC[NH2+]CC2)[C@@]2(CC[NH2+]C2)CN1	ZINC001239006680	780441337	/nfs/dbraw/zinc/44/13/37/780441337.db2.gz	YNVGBQOIKHTYOZ-GFCCVEGCSA-N	2	0	302.400	-1.768	20	0		DAADRP
O=S(=O)([C@@H]1CC[NH2+]C1)N1CCCO[C@]2(C[NH2+]CCOC2)C1	ZINC001239043539	780441396	/nfs/dbraw/zinc/44/13/96/780441396.db2.gz	DSPYZSKRNOOOIV-CHWSQXEVSA-N	2	0	319.427	-1.241	20	0		DAADRP
COCC[N@@H+]1CCO[C@@H]2CN(S(=O)(=O)CC[NH3+])CC[C@@H]2C1	ZINC001239082276	780442362	/nfs/dbraw/zinc/44/23/62/780442362.db2.gz	RDJLDXCIMZNRJY-CHWSQXEVSA-N	2	0	321.443	-1.056	20	0		DAADRP
[NH3+]CCN(CC[NH3+])S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC001239097399	780442644	/nfs/dbraw/zinc/44/26/44/780442644.db2.gz	SIUSGDVVOWLVPI-UHFFFAOYSA-N	2	0	311.371	-1.225	20	0		DAADRP
CCOC(=O)[C@]12CN(S(=O)(=O)CC[NH3+])C[C@H]1C[NH2+]CC2	ZINC001239110632	780443388	/nfs/dbraw/zinc/44/33/88/780443388.db2.gz	HFRXFAYHSKEQFC-ZYHUDNBSSA-N	2	0	305.400	-1.251	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(S(=O)(=O)[C@H]1CC[NH2+]C1)CC2	ZINC001239171973	780443852	/nfs/dbraw/zinc/44/38/52/780443852.db2.gz	DRFRQOPKWLMGSB-LOWVWBTDSA-N	2	0	317.411	-1.095	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)[C@H]1CC[NH2+]C1	ZINC001239130822	780443903	/nfs/dbraw/zinc/44/39/03/780443903.db2.gz	GMELMGDNPISWGF-NSHDSACASA-N	3	0	321.447	-2.206	20	0		DAADRP
COC(=O)[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)CC1CC[NH2+]CC1	ZINC001239121745	780443947	/nfs/dbraw/zinc/44/39/47/780443947.db2.gz	SOBKPALMXXNCDQ-QWRGUYRKSA-N	2	0	305.400	-1.110	20	0		DAADRP
O[C@H](CNCc1nnn2c1C[NH2+]CCC2)CC1(O)CC[NH2+]CC1	ZINC001245985756	780447877	/nfs/dbraw/zinc/44/78/77/780447877.db2.gz	MSQNAJOISJFOJF-LBPRGKRZSA-N	2	0	324.429	-1.274	20	0		DAADRP
COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)CCN1	ZINC001246019266	780448056	/nfs/dbraw/zinc/44/80/56/780448056.db2.gz	PEQAKEPYELAAFR-XQQFMLRXSA-N	2	0	315.414	-1.265	20	0		DAADRP
O[C@@H](C[NH2+]CCCN1CC[NH2+]CC1)CC1(O)CC[NH2+]CC1	ZINC001245983165	780448199	/nfs/dbraw/zinc/44/81/99/780448199.db2.gz	UGICPOGCXBBUHP-CQSZACIVSA-N	3	0	300.447	-1.263	20	0		DAADRP
COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)CN1	ZINC001245981895	780448400	/nfs/dbraw/zinc/44/84/00/780448400.db2.gz	CXHSBMJLTOUJNX-WOPDTQHZSA-N	2	0	301.387	-1.655	20	0		DAADRP
COC(=O)[C@@H]1CNCC[C@@H]1[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1	ZINC001246001968	780448420	/nfs/dbraw/zinc/44/84/20/780448420.db2.gz	JPJCDDHPWSIBHF-UPJWGTAASA-N	2	0	315.414	-1.407	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@H](O)CN1CCOCC1	ZINC001246020289	780448437	/nfs/dbraw/zinc/44/84/37/780448437.db2.gz	NTNCPNMAMGSVTO-STQMWFEESA-N	2	0	302.419	-1.487	20	0		DAADRP
O=C1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)[C@]2(CC[NH2+]C2)CN1	ZINC001246021020	780448521	/nfs/dbraw/zinc/44/85/21/780448521.db2.gz	DKYJBEFEDYMFOY-JSGCOSHPSA-N	2	0	312.414	-1.984	20	0		DAADRP
CC(C)OC[C@H](O)CN(CCC[NH3+])CC(=O)NCCC[NH3+]	ZINC001246052378	780449123	/nfs/dbraw/zinc/44/91/23/780449123.db2.gz	KUJIKBBENLQFNZ-CYBMUJFWSA-N	2	0	304.435	-1.112	20	0		DAADRP
COC(=O)[C@H](C[NH3+])N[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1	ZINC001246086183	780449318	/nfs/dbraw/zinc/44/93/18/780449318.db2.gz	VTMGNZNHIIDHGU-GUBZILKMSA-N	2	0	302.400	-1.660	20	0		DAADRP
COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C[C@H](O)CC1(O)CC[NH2+]CC1	ZINC001246058101	780449464	/nfs/dbraw/zinc/44/94/64/780449464.db2.gz	USQAAQOSMGJEHC-UTUOFQBUSA-N	2	0	301.387	-1.574	20	0		DAADRP
CCOC(=O)CN(CC[NH3+])C[C@H](O)CC1(O)CC[NH2+]CC1	ZINC001246042430	780449745	/nfs/dbraw/zinc/44/97/45/780449745.db2.gz	AWTBQJLUKYZHAE-GFCCVEGCSA-N	2	0	303.403	-1.324	20	0		DAADRP
CC[NH+](CC)C[C@H](O)CN(CCC[NH3+])CC(=O)NCCC[NH3+]	ZINC001246054808	780450007	/nfs/dbraw/zinc/45/00/07/780450007.db2.gz	QGPPHPVHFRQMOU-AWEZNQCLSA-N	3	0	317.478	-1.195	20	0		DAADRP
O=C([C@@H]1C[C@H](N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)C[NH2+]1)N1CCSC1	ZINC001246151260	780450545	/nfs/dbraw/zinc/45/05/45/780450545.db2.gz	HLCCTLAEFKIQPT-PPCPHDFISA-N	2	0	312.439	-1.031	20	0		DAADRP
OCCOCCOCCOCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1	ZINC001246201329	780450833	/nfs/dbraw/zinc/45/08/33/780450833.db2.gz	GNYDKCBSMURGSL-CQSZACIVSA-N	2	0	317.430	-1.288	20	0		DAADRP
COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CN1	ZINC001246147598	780451044	/nfs/dbraw/zinc/45/10/44/780451044.db2.gz	YUNOGQLLGXGBSG-ABHRYQDASA-N	2	0	313.398	-1.125	20	0		DAADRP
[NH3+]CCOCCOCCOCCOCC[NH2+][C@H]1CNC(=O)C1	ZINC001246215196	780452260	/nfs/dbraw/zinc/45/22/60/780452260.db2.gz	IXDVQUSDJJNHHR-CYBMUJFWSA-N	2	0	319.402	-1.510	20	0		DAADRP
O=C([C@@H]1C[C@@H](N[C@H]2C[NH2+][C@H](CO)C2)C[NH2+]1)N1CCSC1	ZINC001246211421	780453076	/nfs/dbraw/zinc/45/30/76/780453076.db2.gz	JPPYKLVDOFCOIK-WYUUTHIRSA-N	2	0	300.428	-1.438	20	0		DAADRP
[NH3+]CC1(N[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]CC1	ZINC001246235813	780453126	/nfs/dbraw/zinc/45/31/26/780453126.db2.gz	LPIHDTTWSFHDQQ-RYUDHWBXSA-N	3	0	313.471	-1.080	20	0		DAADRP
O=C([C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@H]2O)CN1)N1CCSC1	ZINC001246240337	780453229	/nfs/dbraw/zinc/45/32/29/780453229.db2.gz	VGAVWNAUVDJIBT-ZDEQEGDKSA-N	2	0	314.455	-1.190	20	0		DAADRP
COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]CCNCC[NH3+]	ZINC001246405569	780453819	/nfs/dbraw/zinc/45/38/19/780453819.db2.gz	QIEDJVLQJMMIFR-LLVKDONJSA-N	2	0	309.432	-1.119	20	0		DAADRP
O=C([C@@H]1C[C@H](N[C@H]2CC[NH2+]C[C@@H]2O)C[NH2+]1)N1CCSC1	ZINC001246308562	780454267	/nfs/dbraw/zinc/45/42/67/780454267.db2.gz	GSCIGAKMTYFATI-BJDJZHNGSA-N	2	0	300.428	-1.438	20	0		DAADRP
O=C([C@@H]1C[C@H](N[C@@H]2C[NH2+]C[C@@H]2CO)C[NH2+]1)N1CCSC1	ZINC001246311540	780454521	/nfs/dbraw/zinc/45/45/21/780454521.db2.gz	WTYCBMWNCQDXEG-NOOOWODRSA-N	2	0	300.428	-1.580	20	0		DAADRP
CC(C)C[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(=O)NCC(N)=O	ZINC001246449561	780454575	/nfs/dbraw/zinc/45/45/75/780454575.db2.gz	NQTUHATZQSHHAP-RYUDHWBXSA-N	2	0	311.430	-1.314	20	0		DAADRP
O=C1NCC[C@@]12C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC21C[NH2+]C1	ZINC001246626023	780455392	/nfs/dbraw/zinc/45/53/92/780455392.db2.gz	JDTABDVXZZCNLV-BLLLJJGKSA-N	3	0	305.426	-1.508	20	0		DAADRP
[NH3+]C[C@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@@H]1O	ZINC001246583292	780455666	/nfs/dbraw/zinc/45/56/66/780455666.db2.gz	JIHOUAIGBDSCBS-USZNOCQGSA-N	2	0	300.428	-1.499	20	0		DAADRP
O=C([C@@H]1C[C@H](N2CCO[C@@H]3C[NH2+]C[C@H]32)C[NH2+]1)N1CCSC1	ZINC001246632090	780456030	/nfs/dbraw/zinc/45/60/30/780456030.db2.gz	WPJHYKLMHITVCG-WUHRBBMRSA-N	2	0	312.439	-1.078	20	0		DAADRP
NC(=O)[C@@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]1	ZINC001246798203	780456896	/nfs/dbraw/zinc/45/68/96/780456896.db2.gz	SQVFWSDIWZEHCD-VWYCJHECSA-N	2	0	313.427	-1.991	20	0		DAADRP
COC(=O)[C@@H]1C[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CCN1	ZINC001246820505	780456916	/nfs/dbraw/zinc/45/69/16/780456916.db2.gz	JZZXFNAYXCCSGQ-KBPBESRZSA-N	2	0	313.446	-1.636	20	0		DAADRP
CC(=O)NCc1nnc2n1CCN([C@@H]1CCNC3(C[NH2+]C3)C1)C2	ZINC001246750488	780456963	/nfs/dbraw/zinc/45/69/63/780456963.db2.gz	VSQCLKDDBDGKQN-GFCCVEGCSA-N	2	0	319.413	-1.176	20	0		DAADRP
O=C([C@@H]1C[C@H](N2CC[NH2+]C[C@@H]2CO)C[NH2+]1)N1CCSC1	ZINC001246700283	780456998	/nfs/dbraw/zinc/45/69/98/780456998.db2.gz	PIKPHCWRCNURKW-TUAOUCFPSA-N	2	0	300.428	-1.484	20	0		DAADRP
CNC(=O)CN1CCO[C@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21	ZINC001246727643	780457019	/nfs/dbraw/zinc/45/70/19/780457019.db2.gz	CXFCYEJNIFTWOR-MCIONIFRSA-N	2	0	323.441	-1.789	20	0		DAADRP
COC(=O)C1C[C@@H]2CC(N3CC[NH2+][C@@H](C(N)=O)C3)C[C@H](C1)[NH2+]2	ZINC001246797206	780457031	/nfs/dbraw/zinc/45/70/31/780457031.db2.gz	NAKQNSAIAUWYEU-APSDNXJZSA-N	2	0	310.398	-1.182	20	0		DAADRP
O=C([C@@H]1C[C@@H](N2CC[NH2+]C[C@H]2CO)C[NH2+]1)N1CCSC1	ZINC001246700285	780457056	/nfs/dbraw/zinc/45/70/56/780457056.db2.gz	PIKPHCWRCNURKW-WOPDTQHZSA-N	2	0	300.428	-1.484	20	0		DAADRP
CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2	ZINC001246761886	780457104	/nfs/dbraw/zinc/45/71/04/780457104.db2.gz	WNFZWYZMQDWQQK-XJKSGUPXSA-N	2	0	321.425	-1.497	20	0		DAADRP
O=C([C@@H]1C[C@@H](N2CC[NH2+][C@@H](CCO)C2)C[NH2+]1)N1CCSC1	ZINC001246873414	780457938	/nfs/dbraw/zinc/45/79/38/780457938.db2.gz	GQPXHEXJRQOINS-XQQFMLRXSA-N	2	0	314.455	-1.094	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])[C@H]1CCNC2(C[NH2+]C2)C1	ZINC001246918369	780458030	/nfs/dbraw/zinc/45/80/30/780458030.db2.gz	DXDGMHFPSOBDAA-ZDUSSCGKSA-N	3	0	312.462	-1.804	20	0		DAADRP
O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@H]1C[NH2+]CC[C@H]1F)O3	ZINC001247007138	780458117	/nfs/dbraw/zinc/45/81/17/780458117.db2.gz	BNGIAVCDENVABY-GCHJQGSQSA-N	2	0	305.375	-1.169	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])C1C[C@@H]2COC[C@H](C1)[NH2+]2	ZINC001246921561	780458144	/nfs/dbraw/zinc/45/81/44/780458144.db2.gz	RGZKHFMRFAYIKU-PBWFPOADSA-N	3	0	313.446	-1.378	20	0		DAADRP
O=C([C@@H]1C[C@H](N2CC[NH2+][C@@H](CCO)C2)C[NH2+]1)N1CCSC1	ZINC001246873410	780458170	/nfs/dbraw/zinc/45/81/70/780458170.db2.gz	GQPXHEXJRQOINS-AVGNSLFASA-N	2	0	314.455	-1.094	20	0		DAADRP
CO[C@@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@@H]1[NH3+]	ZINC001246983839	780458175	/nfs/dbraw/zinc/45/81/75/780458175.db2.gz	UBUFVIIFNZVWAB-NOOOWODRSA-N	2	0	300.428	-1.092	20	0		DAADRP
COC(=O)CCS(=O)(=O)CC[C@@H](C)N(CC[NH3+])CC[NH3+]	ZINC001246829411	780458402	/nfs/dbraw/zinc/45/84/02/780458402.db2.gz	GDAFGJTUGHHQJN-LLVKDONJSA-N	2	0	309.432	-1.038	20	0		DAADRP
[NH3+]C[C@H]1COCCN1[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1	ZINC001246857306	780458505	/nfs/dbraw/zinc/45/85/05/780458505.db2.gz	OTOOLGUOOJASIG-SRVKXCTJSA-N	2	0	300.428	-1.091	20	0		DAADRP
O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1C[C@@H]1C[NH2+]CCCO1)O3	ZINC001247008264	780458528	/nfs/dbraw/zinc/45/85/28/780458528.db2.gz	FZAZODCGSCGSJT-VOAKCMCISA-N	2	0	317.411	-1.490	20	0		DAADRP
O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@H]1COC2(C[NH2+]C2)C1)O3	ZINC001247013755	780459248	/nfs/dbraw/zinc/45/92/48/780459248.db2.gz	XWDKGZNTKZYYDS-DCQANWLSSA-N	2	0	315.395	-1.738	20	0		DAADRP
OCC[NH+]1CCC(C[NH2+]C[C@H](O)CN2CCOCC2)CC1	ZINC001251036491	780464370	/nfs/dbraw/zinc/46/43/70/780464370.db2.gz	HWXFRMWIVYGYSO-HNNXBMFYSA-N	2	0	301.431	-1.027	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCOCCO)C1	ZINC001278766323	780484317	/nfs/dbraw/zinc/48/43/17/780484317.db2.gz	IVIGRIJZQJOTCY-DZGCQCFKSA-N	2	0	315.414	-1.358	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)CC[NH+](C)C	ZINC001278804971	780490526	/nfs/dbraw/zinc/49/05/26/780490526.db2.gz	VKXWRXRUMXHINR-MNOVXSKESA-N	2	0	314.386	-1.848	20	0		DAADRP
C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]1	ZINC001261554719	780548708	/nfs/dbraw/zinc/54/87/08/780548708.db2.gz	LILZVROAGFZQMS-ZDEQEGDKSA-N	2	0	310.398	-1.480	20	0		DAADRP
C[C@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]1	ZINC001261554718	780548780	/nfs/dbraw/zinc/54/87/80/780548780.db2.gz	LILZVROAGFZQMS-QNWHQSFQSA-N	2	0	310.398	-1.480	20	0		DAADRP
CN(CCC[NH+](C)C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1	ZINC001261636190	780551981	/nfs/dbraw/zinc/55/19/81/780551981.db2.gz	BAUUZIBCRPFEEM-UHFFFAOYSA-N	2	0	324.385	-1.333	20	0		DAADRP
C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCCOCCC[NH3+])C1	ZINC001261824242	780559723	/nfs/dbraw/zinc/55/97/23/780559723.db2.gz	UBGSCJYCOJDWDW-GFCCVEGCSA-N	2	0	300.403	-1.122	20	0		DAADRP
CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC001261824157	780559841	/nfs/dbraw/zinc/55/98/41/780559841.db2.gz	RGXWTIHRFJBKTN-CYBMUJFWSA-N	2	0	312.414	-1.109	20	0		DAADRP
C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC001261821770	780560159	/nfs/dbraw/zinc/56/01/59/780560159.db2.gz	JVXOPJOZXBYXQM-STQMWFEESA-N	2	0	313.446	-1.208	20	0		DAADRP
C[NH+]1CCC(NC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1	ZINC001262542220	780573985	/nfs/dbraw/zinc/57/39/85/780573985.db2.gz	TXSIKUVSEAPJBX-UHFFFAOYSA-N	2	0	311.430	-1.264	20	0		DAADRP
[NH3+]C1(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1	ZINC001262547667	780574723	/nfs/dbraw/zinc/57/47/23/780574723.db2.gz	AMCZQIAYRBBZCJ-LBPRGKRZSA-N	2	0	310.398	-1.037	20	0		DAADRP
CC[NH+]1CCN(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1	ZINC001262562222	780575778	/nfs/dbraw/zinc/57/57/78/780575778.db2.gz	TXPXJNJNDXKIPO-INIZCTEOSA-N	3	0	313.490	-1.178	20	0		DAADRP
O=C(NCC[NH2+]CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1[C@@H]2C[NH2+]C[C@@H]21	ZINC001263272715	780577658	/nfs/dbraw/zinc/57/76/58/780577658.db2.gz	MGNZIQBILGBKHL-ARDSDWSFSA-N	3	0	321.425	-2.261	20	0		DAADRP
C[NH+](C)CCN1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1	ZINC000384438195	780580875	/nfs/dbraw/zinc/58/08/75/780580875.db2.gz	JNEFVEYRJFDJBF-OAHLLOKOSA-N	2	0	300.447	-1.141	20	0		DAADRP
CNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1	ZINC001265971682	780616234	/nfs/dbraw/zinc/61/62/34/780616234.db2.gz	XBIMNUXRKGVGEH-NSHDSACASA-N	2	0	313.402	-1.168	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O	ZINC001283830868	780782452	/nfs/dbraw/zinc/78/24/52/780782452.db2.gz	HKZFEHJCZAESBL-MNOVXSKESA-N	2	0	314.386	-1.802	20	0		DAADRP
CN(CC(=O)Nc1cc(N2CCN(C)CC2)ncn1)C(N)=[NH2+]	ZINC001144129310	781365859	/nfs/dbraw/zinc/36/58/59/781365859.db2.gz	ZNYINPYBISCACN-UHFFFAOYSA-N	2	0	306.374	-1.008	20	0		DAADRP
CN(CC(=O)Nc1cnc(N2CCN(C)CC2)nc1)C(N)=[NH2+]	ZINC001144129259	781365939	/nfs/dbraw/zinc/36/59/39/781365939.db2.gz	XFXCCMBKJVVSKG-UHFFFAOYSA-N	2	0	306.374	-1.008	20	0		DAADRP
CS(=O)(=O)NC1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1	ZINC001160661822	781380747	/nfs/dbraw/zinc/38/07/47/781380747.db2.gz	RTBNICFTGYDPKN-NSHDSACASA-N	2	0	319.431	-2.503	20	0		DAADRP
C[C@H]([NH2+]CCCNC(=O)COCC[NH+](C)C)c1nnnn1C	ZINC001171205002	781381380	/nfs/dbraw/zinc/38/13/80/781381380.db2.gz	KAUQDSGGJNEONZ-NSHDSACASA-N	2	0	313.406	-1.055	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCCC[NH2+]CC(=O)NC1CC1	ZINC001171205306	781382290	/nfs/dbraw/zinc/38/22/90/781382290.db2.gz	SBBKCFMJYIATAX-UHFFFAOYSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[C@@H]([NH2+]CCCNC(=O)COCC[NH+](C)C)C(=O)NC(N)=O	ZINC001171217864	781385105	/nfs/dbraw/zinc/38/51/05/781385105.db2.gz	OPPDJWMISYMSNO-SNVBAGLBSA-N	2	0	317.390	-1.756	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2	ZINC001171303617	781441499	/nfs/dbraw/zinc/44/14/99/781441499.db2.gz	TXULUZCXXQSWFU-UHFFFAOYSA-N	2	0	311.386	-1.366	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)N1CCOCC1	ZINC001147842375	781458627	/nfs/dbraw/zinc/45/86/27/781458627.db2.gz	VIGLAZDNPZVLSG-UHFFFAOYSA-N	2	0	316.402	-1.871	20	0		DAADRP
CCOCCNC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C	ZINC001147842295	781458801	/nfs/dbraw/zinc/45/88/01/781458801.db2.gz	QBPGWOBIGAVBLP-UHFFFAOYSA-N	2	0	318.418	-1.577	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1	ZINC001147891928	781458838	/nfs/dbraw/zinc/45/88/38/781458838.db2.gz	DZQJWRNYXWECIZ-NSHDSACASA-N	2	0	311.386	-1.414	20	0		DAADRP
CN(CC[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)S(C)(=O)=O	ZINC001147885975	781458855	/nfs/dbraw/zinc/45/88/55/781458855.db2.gz	QSHINVUGZQPJNO-LBPRGKRZSA-N	2	0	320.459	-1.075	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1	ZINC001147848063	781458975	/nfs/dbraw/zinc/45/89/75/781458975.db2.gz	DZEWUBONGPBQOU-GFCCVEGCSA-N	2	0	321.443	-1.295	20	0		DAADRP
C[C@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)NC1CC1	ZINC001147891933	781459060	/nfs/dbraw/zinc/45/90/60/781459060.db2.gz	FJJCRZQNOJDQGQ-NSHDSACASA-N	2	0	300.403	-1.063	20	0		DAADRP
C[C@@H](C[NH2+]CCNC(=O)COCC[NH+](C)C)CS(C)(=O)=O	ZINC001147893758	781459136	/nfs/dbraw/zinc/45/91/36/781459136.db2.gz	SKNBLXIWQDNVBQ-LBPRGKRZSA-N	2	0	323.459	-1.049	20	0		DAADRP
C[N@@H+]1CCC[C@H]2CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C[C@@H]21	ZINC001161081414	781460386	/nfs/dbraw/zinc/46/03/86/781460386.db2.gz	JNFVSAFPXRGXTE-RYUDHWBXSA-N	2	0	318.443	-1.241	20	0		DAADRP
COCCOC[C@@H](O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2	ZINC001147977369	781460583	/nfs/dbraw/zinc/46/05/83/781460583.db2.gz	PYTUNFBSRSZZKP-ZDUSSCGKSA-N	2	0	315.414	-1.188	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001147877424	781461409	/nfs/dbraw/zinc/46/14/09/781461409.db2.gz	JUPYFNXALQOKKN-NSHDSACASA-N	2	0	313.402	-1.120	20	0		DAADRP
CCOCCNC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2	ZINC001147970219	781461600	/nfs/dbraw/zinc/46/16/00/781461600.db2.gz	BVCZDECXDFWUJS-UHFFFAOYSA-N	2	0	312.414	-1.059	20	0		DAADRP
O=C(C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2)NC[C@H]1CCOC1	ZINC001147994643	781462462	/nfs/dbraw/zinc/46/24/62/781462462.db2.gz	MYPVQFXRLGYSRW-CYBMUJFWSA-N	2	0	324.425	-1.059	20	0		DAADRP
CNC(=O)C[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1	ZINC001203348601	781596449	/nfs/dbraw/zinc/59/64/49/781596449.db2.gz	AHAASEXZOXTKPW-UHFFFAOYSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@H]1CCNC1=O	ZINC001176153115	781613667	/nfs/dbraw/zinc/61/36/67/781613667.db2.gz	PENMPQQKJICSQY-STQMWFEESA-N	2	0	312.414	-1.061	20	0		DAADRP
CNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1	ZINC001176162699	781614020	/nfs/dbraw/zinc/61/40/20/781614020.db2.gz	YECOJFYGJFVVGT-LBPRGKRZSA-N	2	0	300.403	-1.203	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1	ZINC001176056642	781614151	/nfs/dbraw/zinc/61/41/51/781614151.db2.gz	JAPAPNBTLWJGOJ-LLVKDONJSA-N	2	0	306.432	-1.417	20	0		DAADRP
CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N(CCCC[NH3+])C(N)=[NH2+]	ZINC001176379958	781618062	/nfs/dbraw/zinc/61/80/62/781618062.db2.gz	MSGGFYOEJPCYTL-LLVKDONJSA-N	2	0	309.374	-1.082	20	0		DAADRP
C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C[NH+]1CCCC1	ZINC001180131415	781666101	/nfs/dbraw/zinc/66/61/01/781666101.db2.gz	CLEKOINONCXFEZ-QWRGUYRKSA-N	2	0	311.386	-1.144	20	0		DAADRP
CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](CCO)NC(C)=O	ZINC001182144982	781701066	/nfs/dbraw/zinc/70/10/66/781701066.db2.gz	AGFXMTWQOINBJW-NSHDSACASA-N	2	0	301.391	-1.063	20	0		DAADRP
COC[C@H](O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1	ZINC001151156432	781706040	/nfs/dbraw/zinc/70/60/40/781706040.db2.gz	CKMRKUOKSVDOAK-CHWSQXEVSA-N	2	0	303.403	-1.332	20	0		DAADRP
COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1	ZINC001151156435	781706078	/nfs/dbraw/zinc/70/60/78/781706078.db2.gz	CKMRKUOKSVDOAK-STQMWFEESA-N	2	0	303.403	-1.332	20	0		DAADRP
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001183647779	781729076	/nfs/dbraw/zinc/72/90/76/781729076.db2.gz	LBNGPWBBCVNUIB-GHMZBOCLSA-N	2	0	311.386	-1.144	20	0		DAADRP
Cc1cncn1CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1	ZINC001184310956	781746672	/nfs/dbraw/zinc/74/66/72/781746672.db2.gz	VOQRJRRBWYKRCG-WDEREUQCSA-N	2	0	322.369	-1.035	20	0		DAADRP
CNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC001186235053	781774654	/nfs/dbraw/zinc/77/46/54/781774654.db2.gz	PQXVDTSRPDPICR-CYBMUJFWSA-N	2	0	322.413	-1.005	20	0		DAADRP
CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N(CCCC[NH3+])C(N)=[NH2+]	ZINC001186726087	781789660	/nfs/dbraw/zinc/78/96/60/781789660.db2.gz	BEEWWOUQYVXKCR-RKDXNWHRSA-N	2	0	315.374	-1.096	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001187083346	781795418	/nfs/dbraw/zinc/79/54/18/781795418.db2.gz	FJKARKLRTPEILX-GHMZBOCLSA-N	2	0	311.386	-1.286	20	0		DAADRP
C[C@H]([NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O	ZINC001187127025	781796196	/nfs/dbraw/zinc/79/61/96/781796196.db2.gz	RWQQWUSJADPUNC-WDEREUQCSA-N	2	0	323.397	-1.144	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1	ZINC001187824963	781807113	/nfs/dbraw/zinc/80/71/13/781807113.db2.gz	DOKOSAWHRKLWMM-GHMZBOCLSA-N	2	0	311.386	-1.416	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1	ZINC001187824895	781807851	/nfs/dbraw/zinc/80/78/51/781807851.db2.gz	BRFPJQAHDDJROY-NWDGAFQWSA-N	2	0	318.443	-1.322	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1	ZINC001188145889	781816911	/nfs/dbraw/zinc/81/69/11/781816911.db2.gz	PMTKAKGAHFIHRE-LLVKDONJSA-N	2	0	313.402	-1.027	20	0		DAADRP
CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cc(=O)n(C)c(=O)n1C	ZINC001189442198	781842088	/nfs/dbraw/zinc/84/20/88/781842088.db2.gz	IJNOEGBUGFQXHZ-UHFFFAOYSA-N	2	0	324.385	-1.239	20	0		DAADRP
CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C	ZINC001115126187	781907797	/nfs/dbraw/zinc/90/77/97/781907797.db2.gz	JPIUDYZREQONSY-KZVDOYCCSA-N	2	0	312.414	-1.125	20	0		DAADRP
[NH3+]CCOCCOCCOCC[NH2+]C[C@@]1(O)CCC[NH2+]C1	ZINC001245994039	916170403	/nfs/dbraw/zinc/17/04/03/916170403.db2.gz	OAIHRSYJOZUDLS-CQSZACIVSA-N	3	0	305.419	-1.301	20	0		DAADRP
CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001317662251	916346610	/nfs/dbraw/zinc/34/66/10/916346610.db2.gz	XBWCHZHUGHYANG-LLVKDONJSA-N	2	0	311.386	-1.462	20	0		DAADRP
CO[C@H](C)C[NH2+]CCN(CCO)C(=O)[C@H]1CN(C)CCO1	ZINC001325997531	916880159	/nfs/dbraw/zinc/88/01/59/916880159.db2.gz	RUMVLMRRPKQPEA-CHWSQXEVSA-N	2	0	303.403	-1.238	20	0		DAADRP
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CNC(=O)C[NH3+]	ZINC001326004061	916883488	/nfs/dbraw/zinc/88/34/88/916883488.db2.gz	ARTFMYDEUNLCEG-LLVKDONJSA-N	2	0	313.402	-1.880	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CC(=O)NC1CC1	ZINC001326069455	916890694	/nfs/dbraw/zinc/89/06/94/916890694.db2.gz	AFRAQHMELCDZFM-CYBMUJFWSA-N	2	0	312.414	-1.230	20	0		DAADRP
C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCN2CCOCC2)CC1	ZINC001326145942	916901281	/nfs/dbraw/zinc/90/12/81/916901281.db2.gz	GPQVVRVGCOMXJU-HNNXBMFYSA-N	2	0	300.447	-1.093	20	0		DAADRP
CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001326146378	916901346	/nfs/dbraw/zinc/90/13/46/916901346.db2.gz	KSFFULHYJRKJSO-LBPRGKRZSA-N	2	0	300.403	-1.515	20	0		DAADRP
O=C(N[C@H]1CC[NH2+]C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC001327470167	917017839	/nfs/dbraw/zinc/01/78/39/917017839.db2.gz	BFHSFMNYLRKQTE-MJBXVCDLSA-N	2	0	324.425	-1.042	20	0		DAADRP
CN(CCC[NH3+])C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1	ZINC001327584395	917027323	/nfs/dbraw/zinc/02/73/23/917027323.db2.gz	PLBSUJAVGZAOSP-UHFFFAOYSA-N	2	0	313.446	-1.111	20	0		DAADRP
C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC001327708559	917038088	/nfs/dbraw/zinc/03/80/88/917038088.db2.gz	YSOXHUJVEAGNCV-ZDEQEGDKSA-N	2	0	310.398	-1.541	20	0		DAADRP
C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1	ZINC001327831379	917044325	/nfs/dbraw/zinc/04/43/25/917044325.db2.gz	WZYBJNYDJXQOQN-ZDUSSCGKSA-N	2	0	311.430	-1.393	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1	ZINC001328525413	917092729	/nfs/dbraw/zinc/09/27/29/917092729.db2.gz	RGHRMPSIZRXSPC-UHFFFAOYSA-N	2	0	321.443	-1.152	20	0		DAADRP
C[NH+]1CCN(CCCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1	ZINC001328593532	917098787	/nfs/dbraw/zinc/09/87/87/917098787.db2.gz	KUMFRKDRWKTUBR-ZDUSSCGKSA-N	2	0	311.430	-1.392	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCOCCC[NH3+]	ZINC001328971005	917125014	/nfs/dbraw/zinc/12/50/14/917125014.db2.gz	DDTYIPYLKVTGFO-GFCCVEGCSA-N	2	0	315.418	-2.170	20	0		DAADRP
O=C(N[C@@H]1CC[NH2+]C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC001328970350	917125046	/nfs/dbraw/zinc/12/50/46/917125046.db2.gz	BFHSFMNYLRKQTE-MCIONIFRSA-N	2	0	324.425	-1.042	20	0		DAADRP
C[C@@H](CN1CCOCC1)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1	ZINC001329135382	917144735	/nfs/dbraw/zinc/14/47/35/917144735.db2.gz	RKDAPSURBKHXMU-GJZGRUSLSA-N	2	0	300.447	-1.095	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C	ZINC001329437770	917167063	/nfs/dbraw/zinc/16/70/63/917167063.db2.gz	MMZKCXUWKNGUGQ-GFCCVEGCSA-N	2	0	315.418	-2.218	20	0		DAADRP
COCC[NH2+]CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC001329680173	917188808	/nfs/dbraw/zinc/18/88/08/917188808.db2.gz	VNNFVVBPGLBPIZ-UTUOFQBUSA-N	2	0	312.370	-1.384	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCC1(C[NH3+])CC1	ZINC001329726919	917194795	/nfs/dbraw/zinc/19/47/95/917194795.db2.gz	YQIIQXPPOVIDTF-GFCCVEGCSA-N	2	0	311.430	-1.406	20	0		DAADRP
CN1C(=O)[C@H]2C[N@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)C[C@H]2C1=O	ZINC001329744334	917197286	/nfs/dbraw/zinc/19/72/86/917197286.db2.gz	XVYOUMJOSCIAEU-SDDRHHMPSA-N	2	0	308.382	-1.270	20	0		DAADRP
C[NH2+]CCOCCN(C)C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1	ZINC001330626758	917257608	/nfs/dbraw/zinc/25/76/08/917257608.db2.gz	RMLXYGVIIVFIPD-UHFFFAOYSA-N	2	0	321.443	-1.152	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1	ZINC001331119784	917280488	/nfs/dbraw/zinc/28/04/88/917280488.db2.gz	PVETZCLYLREKTH-RWMBFGLXSA-N	2	0	311.430	-1.266	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1	ZINC001331573121	917299934	/nfs/dbraw/zinc/29/99/34/917299934.db2.gz	NVUBGUZLKGGYFI-NEPJUHHUSA-N	2	0	300.403	-1.063	20	0		DAADRP
O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC001331742427	917327671	/nfs/dbraw/zinc/32/76/71/917327671.db2.gz	BGAWOXFREGIWEA-JHJVBQTASA-N	2	0	310.398	-1.166	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	ZINC001331746068	917332230	/nfs/dbraw/zinc/33/22/30/917332230.db2.gz	TZMRPEUUVSJZPL-TXEJJXNPSA-N	2	0	300.403	-1.205	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCNCC[NH2+]CC3)C[C@@H]21	ZINC001332426318	917369299	/nfs/dbraw/zinc/36/92/99/917369299.db2.gz	DXEXEHCAQGQEQT-OLZOCXBDSA-N	2	0	309.414	-1.830	20	0		DAADRP
[NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1	ZINC001332412129	917370469	/nfs/dbraw/zinc/37/04/69/917370469.db2.gz	MUQMYRZSIFXRKI-CJNGLKHVSA-N	2	0	324.425	-1.005	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001332603161	917392277	/nfs/dbraw/zinc/39/22/77/917392277.db2.gz	VFUWMBHNOCWXCM-NEPJUHHUSA-N	2	0	321.443	-1.608	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1	ZINC001333377638	917439431	/nfs/dbraw/zinc/43/94/31/917439431.db2.gz	HZTVUOLCDUSWBD-WOSRLPQWSA-N	2	0	323.441	-1.584	20	0		DAADRP
[NH3+][C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1	ZINC001333566740	917450897	/nfs/dbraw/zinc/45/08/97/917450897.db2.gz	OCBIDLDKFUZHJR-DGCLKSJQSA-N	2	0	310.398	-1.085	20	0		DAADRP
[NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1	ZINC001335801852	917561163	/nfs/dbraw/zinc/56/11/63/917561163.db2.gz	MFKNYGFKCVVBDJ-RQJABVFESA-N	2	0	324.425	-1.103	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2	ZINC001335751726	917561691	/nfs/dbraw/zinc/56/16/91/917561691.db2.gz	RCFJOLZFWYEWIC-UMSGYPCISA-N	2	0	309.414	-1.643	20	0		DAADRP
C[NH+](C)CCN1CCC(NC(=O)C(=O)NCC2([NH3+])CC2)CC1	ZINC001336572569	917590680	/nfs/dbraw/zinc/59/06/80/917590680.db2.gz	KJIGVAQEGFGRPA-UHFFFAOYSA-N	2	0	311.430	-1.264	20	0		DAADRP
C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C	ZINC001336558567	917592132	/nfs/dbraw/zinc/59/21/32/917592132.db2.gz	XSYUWDBPRYCYBL-FRRDWIJNSA-N	2	0	311.430	-1.680	20	0		DAADRP
C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C	ZINC001336558565	917592361	/nfs/dbraw/zinc/59/23/61/917592361.db2.gz	XSYUWDBPRYCYBL-AGIUHOORSA-N	2	0	311.430	-1.680	20	0		DAADRP
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[C@@H](O)C[NH3+]	ZINC001340076413	917726849	/nfs/dbraw/zinc/72/68/49/917726849.db2.gz	ZCOBOECJKXFNBZ-VXGBXAGGSA-N	2	0	300.403	-1.245	20	0		DAADRP
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[C@@H](O)C[NH3+]	ZINC001340076410	917727491	/nfs/dbraw/zinc/72/74/91/917727491.db2.gz	ZCOBOECJKXFNBZ-NEPJUHHUSA-N	2	0	300.403	-1.245	20	0		DAADRP
COCC[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1	ZINC001340044658	917727804	/nfs/dbraw/zinc/72/78/04/917727804.db2.gz	MWIHGVFUNOFWTB-GFCCVEGCSA-N	2	0	312.414	-1.109	20	0		DAADRP
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[C@H](O)C[NH3+]	ZINC001340076412	917728059	/nfs/dbraw/zinc/72/80/59/917728059.db2.gz	ZCOBOECJKXFNBZ-RYUDHWBXSA-N	2	0	300.403	-1.245	20	0		DAADRP
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[C@H](O)C[NH3+]	ZINC001340076411	917728165	/nfs/dbraw/zinc/72/81/65/917728165.db2.gz	ZCOBOECJKXFNBZ-NWDGAFQWSA-N	2	0	300.403	-1.245	20	0		DAADRP
COCC[NH2+]CCNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2	ZINC001340261016	917733870	/nfs/dbraw/zinc/73/38/70/917733870.db2.gz	DYFSUWBLFZDOGX-JQWIXIFHSA-N	2	0	305.400	-2.027	20	0		DAADRP
C[NH+]1CCN(c2cc(CNC(=O)CNCC[NH3+])ccn2)CC1	ZINC001340241341	917733890	/nfs/dbraw/zinc/73/38/90/917733890.db2.gz	PRIQUCHWSQUHNT-UHFFFAOYSA-N	2	0	306.414	-1.002	20	0		DAADRP
C[NH+]1CCN(CCNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1	ZINC001340242046	917734276	/nfs/dbraw/zinc/73/42/76/917734276.db2.gz	RWZQBGZHUHLLRF-ZDUSSCGKSA-N	2	0	311.430	-1.453	20	0		DAADRP
C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC001340929836	917744949	/nfs/dbraw/zinc/74/49/49/917744949.db2.gz	LXKMVVLMTGALJX-RBSFLKMASA-N	2	0	307.442	-1.119	20	0		DAADRP
C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC001340929830	917745628	/nfs/dbraw/zinc/74/56/28/917745628.db2.gz	LXKMVVLMTGALJX-KFWWJZLASA-N	2	0	307.442	-1.119	20	0		DAADRP
C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC001340929827	917746405	/nfs/dbraw/zinc/74/64/05/917746405.db2.gz	LXKMVVLMTGALJX-ILXRZTDVSA-N	2	0	307.442	-1.119	20	0		DAADRP
CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(C)CC[N@H+](C)CC1	ZINC001341511880	917761247	/nfs/dbraw/zinc/76/12/47/917761247.db2.gz	LTRQHZJPSAVIKY-AWEZNQCLSA-N	2	0	313.446	-1.208	20	0		DAADRP
[NH3+]CCN1CCC[C@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1=O	ZINC001341788093	917765892	/nfs/dbraw/zinc/76/58/92/917765892.db2.gz	OSASAMOPQWDRGG-KBPBESRZSA-N	2	0	323.441	-1.310	20	0		DAADRP
CN1CC[NH2+]C[C@@H]1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC001343487836	917810806	/nfs/dbraw/zinc/81/08/06/917810806.db2.gz	SLDHZOSYRZLPCV-MNOVXSKESA-N	2	0	323.363	-1.158	20	0		DAADRP
[NH3+]CCCCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC001345957985	917865874	/nfs/dbraw/zinc/86/58/74/917865874.db2.gz	FYQIMKTUIUGKCO-STQMWFEESA-N	2	0	312.414	-1.101	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C[NH+](C)C	ZINC001345993369	917869647	/nfs/dbraw/zinc/86/96/47/917869647.db2.gz	HOHKOSGAOWIHGO-IJLUTSLNSA-N	2	0	300.403	-1.077	20	0		DAADRP
C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1	ZINC001348957465	917985018	/nfs/dbraw/zinc/98/50/18/917985018.db2.gz	GYKKRXVVQDHGCD-CVEARBPZSA-N	3	0	313.490	-1.180	20	0		DAADRP
C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)cn1	ZINC001349625206	918028199	/nfs/dbraw/zinc/02/81/99/918028199.db2.gz	UFLNFACOVXNLKW-GFCCVEGCSA-N	2	0	324.385	-1.512	20	0		DAADRP
[NH3+]CCOCC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC001349892860	918040657	/nfs/dbraw/zinc/04/06/57/918040657.db2.gz	IMVAEOYYWDYIQA-AWEZNQCLSA-N	2	0	314.430	-1.126	20	0		DAADRP
[NH3+]CCOCC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1	ZINC001349892862	918041602	/nfs/dbraw/zinc/04/16/02/918041602.db2.gz	IMVAEOYYWDYIQA-CQSZACIVSA-N	2	0	314.430	-1.126	20	0		DAADRP
C[C@H](C[NH3+])NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC001350042000	918046539	/nfs/dbraw/zinc/04/65/39/918046539.db2.gz	NYUXZAZPTOLANZ-GFCCVEGCSA-N	2	0	311.430	-1.312	20	0		DAADRP
O=C(NC[C@@H]1COCC[NH2+]1)C(=O)NC1CC[NH+](C2CC2)CC1	ZINC001351550545	918095753	/nfs/dbraw/zinc/09/57/53/918095753.db2.gz	GLJVVCUQSYRZIZ-GFCCVEGCSA-N	2	0	310.398	-1.166	20	0		DAADRP
[NH3+]C1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1	ZINC001352797684	918130116	/nfs/dbraw/zinc/13/01/16/918130116.db2.gz	LCYSQSNHVRSVPX-KBPBESRZSA-N	2	0	324.425	-1.006	20	0		DAADRP
C[C@H]([NH3+])CCNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1	ZINC001353054930	918139246	/nfs/dbraw/zinc/13/92/46/918139246.db2.gz	FGENQOHWHKARKY-LBPRGKRZSA-N	2	0	313.446	-1.018	20	0		DAADRP
C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC[N@@H+]1C	ZINC001353121183	918144805	/nfs/dbraw/zinc/14/48/05/918144805.db2.gz	HJKKKPPJVWSUDB-XUJVJEKNSA-N	2	0	312.414	-1.103	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)C[NH+](C)C	ZINC001353174532	918147192	/nfs/dbraw/zinc/14/71/92/918147192.db2.gz	IMYUKLYQQIHIRM-SRVKXCTJSA-N	2	0	300.403	-1.077	20	0		DAADRP
[NH3+]CCN1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1=O	ZINC001357946408	918309966	/nfs/dbraw/zinc/30/99/66/918309966.db2.gz	XRYUXRDSKMZGNE-CHWSQXEVSA-N	2	0	312.414	-1.243	20	0		DAADRP
C[NH+](C)C[C@@H]1CN(C(=O)CCNC(=O)CO)C[C@H]1C[NH+](C)C	ZINC001362779912	918605497	/nfs/dbraw/zinc/60/54/97/918605497.db2.gz	FHECLSQERRTVJY-CHWSQXEVSA-N	2	0	314.430	-1.317	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C2CC2)C1	ZINC001366075204	919277281	/nfs/dbraw/zinc/27/72/81/919277281.db2.gz	FWLXLCVMFIBBSP-QWRGUYRKSA-N	2	0	311.386	-1.383	20	0		DAADRP
C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O	ZINC001366095470	919280526	/nfs/dbraw/zinc/28/05/26/919280526.db2.gz	ZARRJSQVYOIHSW-GARJFASQSA-N	2	0	311.386	-1.146	20	0		DAADRP
C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC1	ZINC001366387011	919323625	/nfs/dbraw/zinc/32/36/25/919323625.db2.gz	ZQQFAIXANINPBY-JTQLQIEISA-N	2	0	311.386	-1.286	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1	ZINC001366397049	919325458	/nfs/dbraw/zinc/32/54/58/919325458.db2.gz	GOQLGTWXRXFYEW-OLZOCXBDSA-N	2	0	312.414	-1.109	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C	ZINC001366765112	919376610	/nfs/dbraw/zinc/37/66/10/919376610.db2.gz	RXZOFUMQVGYLFX-MNOVXSKESA-N	2	0	313.402	-1.027	20	0		DAADRP
CCn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001367583443	919493514	/nfs/dbraw/zinc/49/35/14/919493514.db2.gz	QILGTXLEMAPEDA-STQMWFEESA-N	2	0	310.402	-1.041	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001367585158	919494258	/nfs/dbraw/zinc/49/42/58/919494258.db2.gz	FNHOMSYWWJBNHJ-FRRDWIJNSA-N	2	0	314.430	-1.082	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)CC[N@@H+]1C	ZINC001367586330	919497568	/nfs/dbraw/zinc/49/75/68/919497568.db2.gz	GUPSXHAFMPONJL-KGYLQXTDSA-N	2	0	312.414	-1.328	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001367601266	919515384	/nfs/dbraw/zinc/51/53/84/919515384.db2.gz	BARYPXDJXGETNA-RYUDHWBXSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C	ZINC001367621365	919534525	/nfs/dbraw/zinc/53/45/25/919534525.db2.gz	KNRWUUBUQYRJND-VXGBXAGGSA-N	2	0	312.414	-1.374	20	0		DAADRP
C[C@H]([NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C	ZINC001367621348	919535054	/nfs/dbraw/zinc/53/50/54/919535054.db2.gz	KNRWUUBUQYRJND-NWDGAFQWSA-N	2	0	312.414	-1.374	20	0		DAADRP
Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001367625508	919538731	/nfs/dbraw/zinc/53/87/31/919538731.db2.gz	QRZUZVNRIAOFII-YPMHNXCESA-N	2	0	310.402	-1.276	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001367628043	919540312	/nfs/dbraw/zinc/54/03/12/919540312.db2.gz	WMNPFVRQZCUZNY-NWDGAFQWSA-N	2	0	300.403	-1.517	20	0		DAADRP
CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1)[NH+](C)C	ZINC001367626069	919541735	/nfs/dbraw/zinc/54/17/35/919541735.db2.gz	UALSGDIZRCUTNX-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1)C(=O)NC(N)=O	ZINC001367994260	919599481	/nfs/dbraw/zinc/59/94/81/919599481.db2.gz	YXHJKYZZBCUZJJ-NXEZZACHSA-N	2	0	311.386	-1.098	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+](CCn2cncn2)C1	ZINC001368254018	919640298	/nfs/dbraw/zinc/64/02/98/919640298.db2.gz	ABOASTMMAZMZEN-CQSZACIVSA-N	2	0	310.402	-1.217	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+](CCn2cncn2)C1	ZINC001368254014	919641637	/nfs/dbraw/zinc/64/16/37/919641637.db2.gz	ABOASTMMAZMZEN-AWEZNQCLSA-N	2	0	310.402	-1.217	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@@]1(O)CC[N@H+](CCn2cncn2)C1	ZINC001368280627	919658486	/nfs/dbraw/zinc/65/84/86/919658486.db2.gz	BLYSMQHMLAYBNA-HNNXBMFYSA-N	2	0	322.413	-1.073	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@]1(O)CC[N@H+](CCO)C1	ZINC001368292252	919670094	/nfs/dbraw/zinc/67/00/94/919670094.db2.gz	YOEACNRPECSCOS-DZGCQCFKSA-N	2	0	315.414	-1.500	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NCCN1CCC([NH2+]CC(N)=O)CC1	ZINC001368362483	919701827	/nfs/dbraw/zinc/70/18/27/919701827.db2.gz	YBTWLPDRGVVBNH-CYBMUJFWSA-N	2	0	311.430	-1.264	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)C12CC[NH+](CC1)C2	ZINC001368415151	919718490	/nfs/dbraw/zinc/71/84/90/919718490.db2.gz	UEBGGBUJRFYJJY-GFCCVEGCSA-N	2	0	312.414	-1.373	20	0		DAADRP
O=C(N(CCO)CC[NH2+][C@@H]1CCNC1=O)C12CC[NH+](CC1)C2	ZINC001368412501	919719101	/nfs/dbraw/zinc/71/91/01/919719101.db2.gz	RGLCSYZBDGEHTG-GFCCVEGCSA-N	2	0	310.398	-1.619	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(CCO)CC[NH2+][C@H]1CCN(C)C1=O	ZINC001368415405	919719929	/nfs/dbraw/zinc/71/99/29/919719929.db2.gz	UITOLZZHDCIDTF-ZDUSSCGKSA-N	2	0	314.430	-1.032	20	0		DAADRP
COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001368502807	919733285	/nfs/dbraw/zinc/73/32/85/919733285.db2.gz	FUJOEAPPLYJGRZ-QWHCGFSZSA-N	2	0	303.403	-1.238	20	0		DAADRP
C[C@@H]([NH2+]CC1(O)CCN(C(=O)C[NH+]2CCCC2)CC1)C(N)=O	ZINC001368689460	919762062	/nfs/dbraw/zinc/76/20/62/919762062.db2.gz	RAOSBFYIPFDIMS-GFCCVEGCSA-N	2	0	312.414	-1.101	20	0		DAADRP
C[C@@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1	ZINC001369147621	919822575	/nfs/dbraw/zinc/82/25/75/919822575.db2.gz	BUFNOUQZZQNSKJ-NEPJUHHUSA-N	2	0	310.398	-1.227	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1	ZINC001369176478	919828182	/nfs/dbraw/zinc/82/81/82/919828182.db2.gz	BYMJNZYBTULZCJ-JHJVBQTASA-N	2	0	312.414	-1.076	20	0		DAADRP
O=C(C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N1CCC1	ZINC001369330695	919865990	/nfs/dbraw/zinc/86/59/90/919865990.db2.gz	XWANETHCAWKWRO-UONOGXRCSA-N	2	0	324.425	-1.373	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1cncn1	ZINC001369342419	919880441	/nfs/dbraw/zinc/88/04/41/919880441.db2.gz	TXLPOSGFJRRSME-STQMWFEESA-N	2	0	310.402	-1.171	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1	ZINC001369346683	919886063	/nfs/dbraw/zinc/88/60/63/919886063.db2.gz	JPINFNFSVYIOOL-QWHCGFSZSA-N	2	0	314.430	-1.079	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(=O)N(C)C	ZINC001369370774	919906017	/nfs/dbraw/zinc/90/60/17/919906017.db2.gz	FIJCZCZESPBWAU-RYUDHWBXSA-N	2	0	302.419	-1.130	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O)C1	ZINC001369381496	919913578	/nfs/dbraw/zinc/91/35/78/919913578.db2.gz	NTNJONSFTFZIGA-RYUDHWBXSA-N	2	0	321.443	-1.561	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)[NH2+]CCS(C)(=O)=O)C1	ZINC001369381497	919913607	/nfs/dbraw/zinc/91/36/07/919913607.db2.gz	NTNJONSFTFZIGA-VXGBXAGGSA-N	2	0	321.443	-1.561	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]Cc1cnnn1C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001369476596	919951522	/nfs/dbraw/zinc/95/15/22/919951522.db2.gz	QSNIUAGKMZDMLJ-QWHCGFSZSA-N	2	0	310.402	-1.182	20	0		DAADRP
C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1)C(N)=O	ZINC001369478686	919953671	/nfs/dbraw/zinc/95/36/71/919953671.db2.gz	AQOHCHBTQJJAHU-ZYHUDNBSSA-N	2	0	300.403	-1.389	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C	ZINC001369484329	919956321	/nfs/dbraw/zinc/95/63/21/919956321.db2.gz	SWKNHDIQLUTAJY-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)CCC[NH+](C)C	ZINC001369483794	919958771	/nfs/dbraw/zinc/95/87/71/919958771.db2.gz	MGYKXMNFKDDXCN-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001369484317	919959026	/nfs/dbraw/zinc/95/90/26/919959026.db2.gz	SWKNHDIQLUTAJY-NEPJUHHUSA-N	2	0	300.403	-1.374	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001369489466	919960626	/nfs/dbraw/zinc/96/06/26/919960626.db2.gz	VSQKKDCOBKJDIU-CYBMUJFWSA-N	2	0	314.430	-1.127	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1	ZINC001370399032	920055903	/nfs/dbraw/zinc/05/59/03/920055903.db2.gz	YSRCQTCBJQAWLY-QWRGUYRKSA-N	2	0	313.402	-1.027	20	0		DAADRP
C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O	ZINC001370450196	920058706	/nfs/dbraw/zinc/05/87/06/920058706.db2.gz	ZHEFVWICAZJXID-NAKRPEOUSA-N	2	0	311.386	-1.099	20	0		DAADRP
CN(C[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)C[NH+]1CCCC1	ZINC001371002806	920212873	/nfs/dbraw/zinc/21/28/73/920212873.db2.gz	ABXCLQLWIYXUKT-ZDUSSCGKSA-N	2	0	314.430	-1.031	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1	ZINC001371626110	920292223	/nfs/dbraw/zinc/29/22/23/920292223.db2.gz	XRKQGYAVWBDMNE-LLVKDONJSA-N	2	0	311.386	-1.285	20	0		DAADRP
C[C@H]([NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)NC(N)=O	ZINC001372942579	920440160	/nfs/dbraw/zinc/44/01/60/920440160.db2.gz	FXIHHHZLXAZILA-QWRGUYRKSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1	ZINC001373221769	920465979	/nfs/dbraw/zinc/46/59/79/920465979.db2.gz	FNKOYADYYGOZSJ-LLVKDONJSA-N	2	0	313.402	-1.039	20	0		DAADRP
C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH2+]CC(=O)NC(N)=O	ZINC001374070054	920578920	/nfs/dbraw/zinc/57/89/20/920578920.db2.gz	CWJGSVVWGHPCCU-MNOVXSKESA-N	2	0	313.402	-1.135	20	0		DAADRP
C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH2+]CC(=O)NC(N)=O	ZINC001374070050	920579727	/nfs/dbraw/zinc/57/97/27/920579727.db2.gz	CWJGSVVWGHPCCU-GHMZBOCLSA-N	2	0	313.402	-1.135	20	0		DAADRP
C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH2+]CC(=O)NC(N)=O	ZINC001374070062	920580119	/nfs/dbraw/zinc/58/01/19/920580119.db2.gz	CWJGSVVWGHPCCU-WDEREUQCSA-N	2	0	313.402	-1.135	20	0		DAADRP
C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H](C)C[NH+]1CCOCC1	ZINC001374324158	920602506	/nfs/dbraw/zinc/60/25/06/920602506.db2.gz	FEZPXOGVYWSZPB-NWDGAFQWSA-N	2	0	300.403	-1.124	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O	ZINC001374324159	920602582	/nfs/dbraw/zinc/60/25/82/920602582.db2.gz	FEZPXOGVYWSZPB-RYUDHWBXSA-N	2	0	300.403	-1.124	20	0		DAADRP
C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC(=O)NC(N)=O	ZINC001374388452	920604735	/nfs/dbraw/zinc/60/47/35/920604735.db2.gz	UBXONKAARXNIOJ-WDEREUQCSA-N	2	0	313.402	-1.040	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001374588618	920627846	/nfs/dbraw/zinc/62/78/46/920627846.db2.gz	FYAVKMCNZRZOOI-NXEZZACHSA-N	2	0	315.374	-2.397	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001374588725	920628086	/nfs/dbraw/zinc/62/80/86/920628086.db2.gz	FYAVKMCNZRZOOI-VHSXEESVSA-N	2	0	315.374	-2.397	20	0		DAADRP
CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001374613833	920647891	/nfs/dbraw/zinc/64/78/91/920647891.db2.gz	DDQNUPREDJWTGY-ONGXEEELSA-N	2	0	317.390	-2.166	20	0		DAADRP
CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC	ZINC001374686096	920694384	/nfs/dbraw/zinc/69/43/84/920694384.db2.gz	SBPUFPRMWTWNLB-VXGBXAGGSA-N	2	0	300.403	-1.327	20	0		DAADRP
CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NC	ZINC001374827078	920716574	/nfs/dbraw/zinc/71/65/74/920716574.db2.gz	GRZPXJXVPBPRSZ-SNVBAGLBSA-N	2	0	301.391	-1.122	20	0		DAADRP
C[C@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001374842411	920717243	/nfs/dbraw/zinc/71/72/43/920717243.db2.gz	LRYYDFQJLHDIMV-CHWSQXEVSA-N	2	0	312.414	-1.109	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CC1	ZINC001375250785	920758767	/nfs/dbraw/zinc/75/87/67/920758767.db2.gz	HCFHALVECQSJPY-NSHDSACASA-N	2	0	313.402	-1.122	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1	ZINC001375768837	920808843	/nfs/dbraw/zinc/80/88/43/920808843.db2.gz	LXMWURXCBGVZMW-NSHDSACASA-N	2	0	311.386	-1.142	20	0		DAADRP
COC[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1	ZINC001376048122	920838693	/nfs/dbraw/zinc/83/86/93/920838693.db2.gz	ITNSGDAQVIXEBZ-NFAWXSAZSA-N	2	0	315.414	-1.359	20	0		DAADRP
COC[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1	ZINC001376048126	920840589	/nfs/dbraw/zinc/84/05/89/920840589.db2.gz	ITNSGDAQVIXEBZ-UMVBOHGHSA-N	2	0	315.414	-1.359	20	0		DAADRP
CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1	ZINC001376417754	920934120	/nfs/dbraw/zinc/93/41/20/920934120.db2.gz	OZXKWOAATFRTHR-AVGNSLFASA-N	2	0	312.414	-1.063	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1	ZINC001376546202	920977026	/nfs/dbraw/zinc/97/70/26/920977026.db2.gz	DKXPYQUIJCUJKW-CHWSQXEVSA-N	2	0	314.430	-1.127	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C	ZINC001378748364	922002775	/nfs/dbraw/zinc/00/27/75/922002775.db2.gz	CXSVAGVYCIUSKM-QWRGUYRKSA-N	2	0	313.402	-1.027	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001379204922	922066314	/nfs/dbraw/zinc/06/63/14/922066314.db2.gz	CTAUMSJGJFLSIU-GRYCIOLGSA-N	2	0	300.403	-1.471	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1	ZINC001379208341	922075384	/nfs/dbraw/zinc/07/53/84/922075384.db2.gz	SFAPJPITFKEJOU-MNOVXSKESA-N	2	0	300.403	-1.328	20	0		DAADRP
C[C@@H]([NH2+]C[C@H](O)CNC(=O)C[N@H+](C)CC(C)(C)C)C(N)=O	ZINC001379241040	922092115	/nfs/dbraw/zinc/09/21/15/922092115.db2.gz	JPBWEGQIDMNYFT-MNOVXSKESA-N	2	0	302.419	-1.095	20	0		DAADRP
C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)CC(C)(C)C)C(N)=O	ZINC001379241037	922094062	/nfs/dbraw/zinc/09/40/62/922094062.db2.gz	JPBWEGQIDMNYFT-GHMZBOCLSA-N	2	0	302.419	-1.095	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001379258933	922103788	/nfs/dbraw/zinc/10/37/88/922103788.db2.gz	NHBUDPULMZLTDF-NEPJUHHUSA-N	2	0	300.403	-1.469	20	0		DAADRP
C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)COC1CC[NH+](C)CC1	ZINC001379258770	922105341	/nfs/dbraw/zinc/10/53/41/922105341.db2.gz	MOHCYDJGTSSKCN-NWDGAFQWSA-N	2	0	303.403	-1.455	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](O)C[NH2+]CC(N)=O	ZINC001379280328	922112613	/nfs/dbraw/zinc/11/26/13/922112613.db2.gz	CMSILEGBASKRRL-WDEREUQCSA-N	2	0	302.375	-2.493	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1	ZINC001379295814	922119696	/nfs/dbraw/zinc/11/96/96/922119696.db2.gz	SMQWWLPUHYXINT-JSGCOSHPSA-N	2	0	314.430	-1.081	20	0		DAADRP
CN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)C[N@H+](C)C2CCC2)C1=O	ZINC001379410962	922162368	/nfs/dbraw/zinc/16/23/68/922162368.db2.gz	MDOHYFKYXAQDNJ-WCQYABFASA-N	2	0	312.414	-1.232	20	0		DAADRP
CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001379468027	922188146	/nfs/dbraw/zinc/18/81/46/922188146.db2.gz	FTVROSYALIYJAY-SDDRHHMPSA-N	2	0	300.403	-1.471	20	0		DAADRP
COC[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001379478360	922195424	/nfs/dbraw/zinc/19/54/24/922195424.db2.gz	YVZXHUGSAVEZOI-FQUUOJAGSA-N	2	0	317.430	-1.209	20	0		DAADRP
COC[C@H](O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001379478361	922196849	/nfs/dbraw/zinc/19/68/49/922196849.db2.gz	YVZXHUGSAVEZOI-IGQOVBAYSA-N	2	0	317.430	-1.209	20	0		DAADRP
O=C(C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)N1CCCC1	ZINC001379502020	922206677	/nfs/dbraw/zinc/20/66/77/922206677.db2.gz	CUKQTAYYBMAFMN-ZDUSSCGKSA-N	2	0	324.425	-1.229	20	0		DAADRP
CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2	ZINC001379505407	922206975	/nfs/dbraw/zinc/20/69/75/922206975.db2.gz	NYRAOQNPXPWTER-GFCCVEGCSA-N	2	0	312.414	-1.327	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)[NH2+]CCn2cncn2)C1	ZINC001379503884	922207743	/nfs/dbraw/zinc/20/77/43/922207743.db2.gz	JHOIVVJGNMQACZ-CHWSQXEVSA-N	2	0	310.402	-1.313	20	0		DAADRP
CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001379526708	922218039	/nfs/dbraw/zinc/21/80/39/922218039.db2.gz	KNWKIPWQZZJSCW-NEPJUHHUSA-N	2	0	300.403	-1.471	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCN2CCNC2=O)C1	ZINC001379531345	922220430	/nfs/dbraw/zinc/22/04/30/922220430.db2.gz	VQADKLCGBXZBHO-VXGBXAGGSA-N	2	0	313.402	-1.970	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1	ZINC001379564396	922226026	/nfs/dbraw/zinc/22/60/26/922226026.db2.gz	KAYHIQKSFVFPED-NSHDSACASA-N	2	0	310.402	-1.101	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C	ZINC001379549676	922226505	/nfs/dbraw/zinc/22/65/05/922226505.db2.gz	IKUFOUJSQNPFEQ-MNOVXSKESA-N	2	0	313.402	-1.027	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CCC[N@@H+]1C	ZINC001379763485	922250652	/nfs/dbraw/zinc/25/06/52/922250652.db2.gz	WFFDHNNTXZXJLY-UWVGGRQHSA-N	2	0	315.374	-2.316	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001379818131	922272535	/nfs/dbraw/zinc/27/25/35/922272535.db2.gz	RCXGMCDZYVBEAI-OLZOCXBDSA-N	2	0	314.430	-1.032	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001379838040	922275407	/nfs/dbraw/zinc/27/54/07/922275407.db2.gz	VYWLPRLERCKSBU-OLZOCXBDSA-N	2	0	314.430	-1.127	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1	ZINC001380169695	922336160	/nfs/dbraw/zinc/33/61/60/922336160.db2.gz	MJSSYEVYIPQJAS-SNVBAGLBSA-N	2	0	311.386	-1.368	20	0		DAADRP
COC[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1	ZINC001380572392	922396354	/nfs/dbraw/zinc/39/63/54/922396354.db2.gz	MCRICZFEXNESDE-DZGCQCFKSA-N	2	0	315.414	-1.358	20	0		DAADRP
COC[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1	ZINC001380572393	922397278	/nfs/dbraw/zinc/39/72/78/922397278.db2.gz	MCRICZFEXNESDE-HIFRSBDPSA-N	2	0	315.414	-1.358	20	0		DAADRP
C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CC(=O)NC(N)=O	ZINC001380684427	922437802	/nfs/dbraw/zinc/43/78/02/922437802.db2.gz	CQGKCFLNPHXOMG-MNOVXSKESA-N	2	0	313.402	-1.183	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O	ZINC001380767869	922455659	/nfs/dbraw/zinc/45/56/59/922455659.db2.gz	RCRXRHRVSNMZGF-OLZOCXBDSA-N	2	0	312.414	-1.230	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+][C@@H]2CCCNC2=O)C1	ZINC001380774434	922458237	/nfs/dbraw/zinc/45/82/37/922458237.db2.gz	PKQOCYARZOYMTH-QWHCGFSZSA-N	2	0	312.414	-1.373	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)N(CCO)CC[NH2+][C@@H]2CCNC2=O)C1	ZINC001380773931	922458488	/nfs/dbraw/zinc/45/84/88/922458488.db2.gz	NZPUGFLSMHYUKS-QWHCGFSZSA-N	2	0	312.414	-1.373	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1	ZINC001380917037	922478100	/nfs/dbraw/zinc/47/81/00/922478100.db2.gz	XPMXNVCOOMVGAP-UONOGXRCSA-N	2	0	324.425	-1.109	20	0		DAADRP
C[N@H+](CC(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1)C1CCC1	ZINC001381039386	922492379	/nfs/dbraw/zinc/49/23/79/922492379.db2.gz	AWEVCKGYGLDWMP-HNNXBMFYSA-N	2	0	312.414	-1.101	20	0		DAADRP
CNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1	ZINC001381055885	922493338	/nfs/dbraw/zinc/49/33/38/922493338.db2.gz	PQAFOUSSDKCWEZ-SWLSCSKDSA-N	2	0	312.414	-1.373	20	0		DAADRP
CNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1	ZINC001381039506	922494151	/nfs/dbraw/zinc/49/41/51/922494151.db2.gz	BDXIGOOJDLGXDB-DOMZBBRYSA-N	2	0	312.414	-1.230	20	0		DAADRP
CC[N@H+](C)CCC(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1	ZINC001381158058	922507360	/nfs/dbraw/zinc/50/73/60/922507360.db2.gz	RPLZVIGDJUFNEW-UHFFFAOYSA-N	2	0	300.403	-1.243	20	0		DAADRP
CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001382266705	922653162	/nfs/dbraw/zinc/65/31/62/922653162.db2.gz	MGOODYQIENMHPF-QWHCGFSZSA-N	2	0	314.430	-1.127	20	0		DAADRP
O=C(NC[C@H](CO)[NH2+]CCN1CCCC1=O)C12CC[NH+](CC1)C2	ZINC001382268661	922655218	/nfs/dbraw/zinc/65/52/18/922655218.db2.gz	YITXREUPQXPZKV-CYBMUJFWSA-N	2	0	324.425	-1.229	20	0		DAADRP
CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001382268492	922655356	/nfs/dbraw/zinc/65/53/56/922655356.db2.gz	XGWJXYSVKQWMCI-NWDGAFQWSA-N	2	0	300.403	-1.517	20	0		DAADRP
CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001382268491	922655884	/nfs/dbraw/zinc/65/58/84/922655884.db2.gz	XGWJXYSVKQWMCI-NEPJUHHUSA-N	2	0	300.403	-1.517	20	0		DAADRP
Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1=O	ZINC001382276845	922661115	/nfs/dbraw/zinc/66/11/15/922661115.db2.gz	YYUFGAPHEJOMLR-UONOGXRCSA-N	2	0	322.409	-1.096	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001382385010	922711683	/nfs/dbraw/zinc/71/16/83/922711683.db2.gz	GTISNVZWMRWLRQ-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[NH+](C)C1	ZINC001382554855	922804937	/nfs/dbraw/zinc/80/49/37/922804937.db2.gz	DVAMISADLIUXGF-CHWSQXEVSA-N	2	0	314.430	-1.127	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[NH+](C)C1	ZINC001383923150	922975940	/nfs/dbraw/zinc/97/59/40/922975940.db2.gz	CYXSRMOEKCMFHF-QWHCGFSZSA-N	2	0	314.430	-1.128	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[NH+](C)C1	ZINC001383926283	922980474	/nfs/dbraw/zinc/98/04/74/922980474.db2.gz	KVTSIMYJUPCUCI-QWHCGFSZSA-N	2	0	314.430	-1.127	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[NH+](C)C1	ZINC001389095020	923550125	/nfs/dbraw/zinc/55/01/25/923550125.db2.gz	ILJQNSUBLGZGPZ-CHWSQXEVSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001389122749	923562534	/nfs/dbraw/zinc/56/25/34/923562534.db2.gz	KFNCKAFJPNCUGY-LBPRGKRZSA-N	2	0	312.414	-1.373	20	0		DAADRP
C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1	ZINC001389800142	923680031	/nfs/dbraw/zinc/68/00/31/923680031.db2.gz	VGJBZBZEWPCVCD-ZDUSSCGKSA-N	2	0	312.414	-1.013	20	0		DAADRP
C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C(=O)NC(N)=O	ZINC001390016399	923709926	/nfs/dbraw/zinc/70/99/26/923709926.db2.gz	SMFQVLQMXYKJMH-YTWAJWBKSA-N	2	0	311.386	-1.242	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)C[NH+]1CCCC1	ZINC001392096582	923931325	/nfs/dbraw/zinc/93/13/25/923931325.db2.gz	FJWVETPYORDEDV-QWHCGFSZSA-N	2	0	312.414	-1.230	20	0		DAADRP
C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001392100512	923935286	/nfs/dbraw/zinc/93/52/86/923935286.db2.gz	NIBSPVHQXQJNKU-QWRGUYRKSA-N	2	0	313.402	-1.040	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001392367310	923979104	/nfs/dbraw/zinc/97/91/04/923979104.db2.gz	RSTHCUFUNXFMTN-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[N@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)C1CCC1	ZINC001392371330	923986347	/nfs/dbraw/zinc/98/63/47/923986347.db2.gz	DXRLXZWVBCEEOI-SNVBAGLBSA-N	2	0	315.374	-2.268	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1	ZINC001392377682	923990488	/nfs/dbraw/zinc/99/04/88/923990488.db2.gz	UPVIAICFQOIUKS-NSHDSACASA-N	2	0	300.403	-1.327	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1	ZINC001392389780	924001675	/nfs/dbraw/zinc/00/16/75/924001675.db2.gz	OZIIKRYTVAUBJB-OLZOCXBDSA-N	2	0	312.414	-1.230	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCOCC1	ZINC001392394173	924005917	/nfs/dbraw/zinc/00/59/17/924005917.db2.gz	OMBXWTQONBILAB-GFCCVEGCSA-N	2	0	316.402	-2.136	20	0		DAADRP
CC(C)(C(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O)[NH+]1CCCC1	ZINC001392392941	924006421	/nfs/dbraw/zinc/00/64/21/924006421.db2.gz	PWRMNLWUJAQCDW-VXGBXAGGSA-N	2	0	312.414	-1.184	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001392403331	924013623	/nfs/dbraw/zinc/01/36/23/924013623.db2.gz	UXUWSAWCIXWQHD-CHWSQXEVSA-N	2	0	314.430	-1.127	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](O)CNC(=O)CC1CC[NH+](C)CC1	ZINC001392408623	924017062	/nfs/dbraw/zinc/01/70/62/924017062.db2.gz	LQCQMSSAPNQCDV-LBPRGKRZSA-N	2	0	300.403	-1.469	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCC(C)CC1	ZINC001392413357	924018960	/nfs/dbraw/zinc/01/89/60/924018960.db2.gz	RPNUFKRRARDEBJ-STQMWFEESA-N	2	0	314.430	-1.081	20	0		DAADRP
C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)[NH+]1CCCCCC1	ZINC001392414100	924020433	/nfs/dbraw/zinc/02/04/33/924020433.db2.gz	VQDRPTVJMYUIQB-RYUDHWBXSA-N	2	0	300.403	-1.197	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O)C1	ZINC001392420489	924025064	/nfs/dbraw/zinc/02/50/64/924025064.db2.gz	HIMAYLYJOKGLHO-UWVGGRQHSA-N	2	0	315.374	-2.410	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001392429978	924030361	/nfs/dbraw/zinc/03/03/61/924030361.db2.gz	SQOFDDYVAFBNAI-NXEZZACHSA-N	2	0	315.374	-2.540	20	0		DAADRP
C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)N(C)C	ZINC001392431482	924031290	/nfs/dbraw/zinc/03/12/90/924031290.db2.gz	WPLUOXGITZSXNR-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(=O)NC	ZINC001392600710	924055840	/nfs/dbraw/zinc/05/58/40/924055840.db2.gz	GRZPXJXVPBPRSZ-JTQLQIEISA-N	2	0	301.391	-1.122	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC001392926162	924099706	/nfs/dbraw/zinc/09/97/06/924099706.db2.gz	SDEMAMJRGVRZAA-SNVBAGLBSA-N	2	0	311.386	-1.225	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@@]1(O)CC[N@@H+]([C@H]2CCCNC2=O)C1	ZINC001393272497	924144924	/nfs/dbraw/zinc/14/49/24/924144924.db2.gz	CZQIMJFFFOCLPO-BBRMVZONSA-N	2	0	324.425	-1.086	20	0		DAADRP
COC[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1	ZINC001393275198	924147462	/nfs/dbraw/zinc/14/74/62/924147462.db2.gz	MDMFQYHTLCSPEO-TZMCWYRMSA-N	2	0	303.403	-1.502	20	0		DAADRP
CC[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1	ZINC001393283304	924153653	/nfs/dbraw/zinc/15/36/53/924153653.db2.gz	YJUAPLLKYOZBEX-SMDDNHRTSA-N	2	0	300.403	-1.245	20	0		DAADRP
C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)N(C)C	ZINC001393458049	924209774	/nfs/dbraw/zinc/20/97/74/924209774.db2.gz	FFZWYDMHJPNJET-STQMWFEESA-N	2	0	314.430	-1.032	20	0		DAADRP
CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O	ZINC001393478117	924215755	/nfs/dbraw/zinc/21/57/55/924215755.db2.gz	HPWQUEQCFYEZBT-VXGBXAGGSA-N	2	0	300.403	-1.388	20	0		DAADRP
C[NH+](C)CCC(=O)N1CCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1	ZINC001393585754	924231978	/nfs/dbraw/zinc/23/19/78/924231978.db2.gz	IIFOBGHUJTYARE-JTQLQIEISA-N	2	0	315.374	-2.050	20	0		DAADRP
CN(CCC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CC[NH+](C)C1	ZINC001393643461	924237957	/nfs/dbraw/zinc/23/79/57/924237957.db2.gz	HTSROGNGAJGVHM-LLVKDONJSA-N	2	0	313.402	-1.087	20	0		DAADRP
CCC[N@H+](C)CC(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1	ZINC001393701110	924246217	/nfs/dbraw/zinc/24/62/17/924246217.db2.gz	HDDLOOQXAPXMBB-AWEZNQCLSA-N	2	0	300.403	-1.243	20	0		DAADRP
C[NH+]1CCC(C(=O)N2CCC(O)(C[NH2+]CC(N)=O)CC2)CC1	ZINC001393776072	924256313	/nfs/dbraw/zinc/25/63/13/924256313.db2.gz	OBRYICMLVNMVNM-UHFFFAOYSA-N	2	0	312.414	-1.243	20	0		DAADRP
NC(=O)NC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1	ZINC001394335753	924299010	/nfs/dbraw/zinc/29/90/10/924299010.db2.gz	GAURXPGKJFVKHR-CNDDSTCGSA-N	2	0	323.397	-1.429	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1	ZINC001394561779	924307158	/nfs/dbraw/zinc/30/71/58/924307158.db2.gz	YGZJVZCZIAFXKQ-NSHDSACASA-N	2	0	313.402	-1.026	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1	ZINC001394607815	924336540	/nfs/dbraw/zinc/33/65/40/924336540.db2.gz	PBUAUJUBGYOJAL-QWRGUYRKSA-N	2	0	300.403	-1.328	20	0		DAADRP
C[NH+](C)CCCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O	ZINC001394617910	924341378	/nfs/dbraw/zinc/34/13/78/924341378.db2.gz	FFAZSJOFICMARN-VXGBXAGGSA-N	2	0	300.403	-1.327	20	0		DAADRP
C[NH+](C)CCCC(=O)NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O	ZINC001394617907	924342204	/nfs/dbraw/zinc/34/22/04/924342204.db2.gz	FFAZSJOFICMARN-RYUDHWBXSA-N	2	0	300.403	-1.327	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)CC1CC[NH+](C)CC1	ZINC001394633792	924347209	/nfs/dbraw/zinc/34/72/09/924347209.db2.gz	SNMICDBHUWZTRI-AAEUAGOBSA-N	2	0	314.430	-1.081	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCN(C)C1=O	ZINC001394645324	924350576	/nfs/dbraw/zinc/35/05/76/924350576.db2.gz	VACFOOWMDOMIPL-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@H](CO)[NH2+][C@H]1CCN(C)C1=O	ZINC001394645323	924350826	/nfs/dbraw/zinc/35/08/26/924350826.db2.gz	VACFOOWMDOMIPL-NEPJUHHUSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1)[NH+](C)C	ZINC001394655246	924358049	/nfs/dbraw/zinc/35/80/49/924358049.db2.gz	UXJBVHUSHSRRIF-NEPJUHHUSA-N	2	0	300.403	-1.374	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001394733509	924367680	/nfs/dbraw/zinc/36/76/80/924367680.db2.gz	VISGSIVGKZIQMD-VXGBXAGGSA-N	2	0	300.403	-1.422	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C	ZINC001394733507	924367986	/nfs/dbraw/zinc/36/79/86/924367986.db2.gz	VISGSIVGKZIQMD-RYUDHWBXSA-N	2	0	300.403	-1.422	20	0		DAADRP
CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCC1)[NH+](C)C	ZINC001394738070	924369671	/nfs/dbraw/zinc/36/96/71/924369671.db2.gz	BOAOTABOFJAYPM-CHWSQXEVSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O	ZINC001394752333	924375393	/nfs/dbraw/zinc/37/53/93/924375393.db2.gz	CFFWYWMCSCLWDD-NEPJUHHUSA-N	2	0	316.402	-2.151	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)CC[NH+](C)C	ZINC001394761932	924380323	/nfs/dbraw/zinc/38/03/23/924380323.db2.gz	OYJVFJZGSUGXRL-JTQLQIEISA-N	2	0	314.390	-2.031	20	0		DAADRP
CC[NH+](CC)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001395737752	924456083	/nfs/dbraw/zinc/45/60/83/924456083.db2.gz	QBJYYRWYLAIWQM-CHWSQXEVSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C	ZINC001395797172	924480419	/nfs/dbraw/zinc/48/04/19/924480419.db2.gz	APTDIYWVJAWDLG-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1	ZINC001396395349	924519473	/nfs/dbraw/zinc/51/94/73/924519473.db2.gz	XRVAUZNCXUWFSD-CHWSQXEVSA-N	2	0	314.430	-1.034	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1	ZINC001397670857	924594621	/nfs/dbraw/zinc/59/46/21/924594621.db2.gz	FOJRKIHOCQRMRZ-XYPYZODXSA-N	2	0	311.386	-1.239	20	0		DAADRP
C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H](C)C(=O)NC(N)=O	ZINC001399125513	924691075	/nfs/dbraw/zinc/69/10/75/924691075.db2.gz	TWUJRCJVSRLYOM-ZJUUUORDSA-N	2	0	311.386	-1.240	20	0		DAADRP
C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H](C)C(=O)NC(N)=O	ZINC001399125480	924692226	/nfs/dbraw/zinc/69/22/26/924692226.db2.gz	TWUJRCJVSRLYOM-NXEZZACHSA-N	2	0	311.386	-1.240	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001401262479	924854856	/nfs/dbraw/zinc/85/48/56/924854856.db2.gz	SJBJMMVDNUOCSM-QWRGUYRKSA-N	2	0	313.402	-1.170	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001401519002	924874811	/nfs/dbraw/zinc/87/48/11/924874811.db2.gz	YNKWTJJGRZFFDN-RWMBFGLXSA-N	2	0	314.430	-1.081	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](O)CNC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001401536773	924878206	/nfs/dbraw/zinc/87/82/06/924878206.db2.gz	IZOVHRAKZJYOGG-NEPJUHHUSA-N	2	0	300.403	-1.327	20	0		DAADRP
CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C2CC[NH+](C)CC2)C1=O	ZINC001401556184	924888055	/nfs/dbraw/zinc/88/80/55/924888055.db2.gz	NTXAQKAJUQUKHR-CHWSQXEVSA-N	2	0	312.414	-1.374	20	0		DAADRP
C[NH+](C)C1(C(=O)NC[C@@H](O)C[NH2+][C@@H]2CCCNC2=O)CCC1	ZINC001401556855	924888437	/nfs/dbraw/zinc/88/84/37/924888437.db2.gz	QRJRWLWLFXNHBV-NWDGAFQWSA-N	2	0	312.414	-1.184	20	0		DAADRP
C[NH+](C)C1(C(=O)NC[C@H](O)C[NH2+][C@H]2CCCNC2=O)CCC1	ZINC001401556827	924888946	/nfs/dbraw/zinc/88/89/46/924888946.db2.gz	QRJRWLWLFXNHBV-NEPJUHHUSA-N	2	0	312.414	-1.184	20	0		DAADRP
CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O	ZINC001401560251	924890213	/nfs/dbraw/zinc/89/02/13/924890213.db2.gz	NKTMNKIWMKSGTM-NEPJUHHUSA-N	2	0	300.403	-1.199	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001401562054	924892475	/nfs/dbraw/zinc/89/24/75/924892475.db2.gz	TZWZQGIFXUHRIG-CHWSQXEVSA-N	2	0	314.430	-1.081	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001401563456	924892601	/nfs/dbraw/zinc/89/26/01/924892601.db2.gz	HXAJTZWLSSXING-SRVKXCTJSA-N	2	0	300.403	-1.471	20	0		DAADRP
CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1	ZINC001401563105	924893154	/nfs/dbraw/zinc/89/31/54/924893154.db2.gz	VMHHJXMEZIUNOL-YGRLFVJLSA-N	2	0	318.393	-1.249	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+]1CCC2	ZINC001401575209	924899036	/nfs/dbraw/zinc/89/90/36/924899036.db2.gz	WVGXKLCSISMBTE-RYUDHWBXSA-N	2	0	312.414	-1.184	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O	ZINC001401591938	924903630	/nfs/dbraw/zinc/90/36/30/924903630.db2.gz	VXMVXSLCHYUBHU-NWDGAFQWSA-N	2	0	300.403	-1.328	20	0		DAADRP
CC[C@H](C(=O)NCCN1CCC([NH2+]CC(N)=O)CC1)[NH+](C)C	ZINC001402435452	924996590	/nfs/dbraw/zinc/99/65/90/924996590.db2.gz	QRZOABFIHYWGLT-CYBMUJFWSA-N	2	0	313.446	-1.018	20	0		DAADRP
C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+][C@H]2CCNC2=O)CC[N@@H+]1C	ZINC001402467321	925002065	/nfs/dbraw/zinc/00/20/65/925002065.db2.gz	NXZJOKGHSAWLSM-UPJWGTAASA-N	2	0	312.414	-1.374	20	0		DAADRP
CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]CC(=O)NC)C1)[NH+](C)C	ZINC001402603032	925015045	/nfs/dbraw/zinc/01/50/45/925015045.db2.gz	NFWUZZIQKKVGBT-NEPJUHHUSA-N	2	0	300.403	-1.110	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](C[NH2+]CC(=O)N3CCC3)C2)C1	ZINC001402595890	925015440	/nfs/dbraw/zinc/01/54/40/925015440.db2.gz	KONJVIRXFFXPNO-UONOGXRCSA-N	2	0	324.425	-1.013	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](C[NH2+]CC(=O)N3CCC3)C2)C1	ZINC001402595894	925015616	/nfs/dbraw/zinc/01/56/16/925015616.db2.gz	KONJVIRXFFXPNO-ZIAGYGMSSA-N	2	0	324.425	-1.013	20	0		DAADRP
C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O	ZINC001402638538	925019356	/nfs/dbraw/zinc/01/93/56/925019356.db2.gz	XQHMMOBLAABKJB-GARJFASQSA-N	2	0	323.397	-1.098	20	0		DAADRP
CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1	ZINC001403216439	925062921	/nfs/dbraw/zinc/06/29/21/925062921.db2.gz	FBFWLUOHGQXCFK-STQMWFEESA-N	2	0	312.414	-1.109	20	0		DAADRP
CC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(CC(=O)NC(N)=O)C1	ZINC001403325202	925070125	/nfs/dbraw/zinc/07/01/25/925070125.db2.gz	KBBLVLKJVSXPGH-JTQLQIEISA-N	2	0	313.402	-1.040	20	0		DAADRP
CC(C)[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C)[NH+](C)C	ZINC001403710340	925124879	/nfs/dbraw/zinc/12/48/79/925124879.db2.gz	AJYICNFGTWGHBX-DGCLKSJQSA-N	2	0	302.419	-1.273	20	0		DAADRP
C[C@@H]([NH2+][C@@H](CO)CNC(=O)COC1CC[NH+](C)CC1)C(N)=O	ZINC001403720376	925128822	/nfs/dbraw/zinc/12/88/22/925128822.db2.gz	MTAWNPBBVVHUCY-GHMZBOCLSA-N	2	0	316.402	-1.962	20	0		DAADRP
C[C@@H]([NH2+][C@H](CO)CNC(=O)COC1CC[NH+](C)CC1)C(N)=O	ZINC001403720379	925129313	/nfs/dbraw/zinc/12/93/13/925129313.db2.gz	MTAWNPBBVVHUCY-MNOVXSKESA-N	2	0	316.402	-1.962	20	0		DAADRP
CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001403731925	925132387	/nfs/dbraw/zinc/13/23/87/925132387.db2.gz	RCICLEMJHPQSHR-CHWSQXEVSA-N	2	0	314.430	-1.081	20	0		DAADRP
C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)C(C)(C)C1	ZINC001403811200	925143644	/nfs/dbraw/zinc/14/36/44/925143644.db2.gz	CJASWMNSVBKPJR-SNVBAGLBSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO	ZINC001403924015	925173190	/nfs/dbraw/zinc/17/31/90/925173190.db2.gz	YAPJXEIOPIHHLX-KGLIPLIRSA-N	2	0	317.430	-1.302	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CC(=O)NC(N)=O)C1	ZINC001404081006	925182948	/nfs/dbraw/zinc/18/29/48/925182948.db2.gz	LKPMSIXEFUESRU-LLVKDONJSA-N	2	0	313.402	-1.039	20	0		DAADRP
CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(N)=O)[NH+](C)C	ZINC001404309573	925190568	/nfs/dbraw/zinc/19/05/68/925190568.db2.gz	GLUTZHVZSWYUNN-NXEZZACHSA-N	2	0	301.391	-1.042	20	0		DAADRP
CC[N@H+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[NH+](C)C1	ZINC001405291984	925279949	/nfs/dbraw/zinc/27/99/49/925279949.db2.gz	WMNKDLAUBTYIPI-OLZOCXBDSA-N	2	0	314.430	-1.127	20	0		DAADRP
CC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001405736353	925333425	/nfs/dbraw/zinc/33/34/25/925333425.db2.gz	QLNIRJCDNYIXAI-ZJUUUORDSA-N	2	0	301.391	-1.137	20	0		DAADRP
CCCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001406217627	925359368	/nfs/dbraw/zinc/35/93/68/925359368.db2.gz	NGQOIQATTRRTCN-FRRDWIJNSA-N	2	0	314.430	-1.081	20	0		DAADRP
C[NH+](C)C1(C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)CCC1	ZINC001406241910	925371364	/nfs/dbraw/zinc/37/13/64/925371364.db2.gz	OGJOYEBTAHAKLR-GFCCVEGCSA-N	2	0	312.414	-1.230	20	0		DAADRP
Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C1CCC1	ZINC001406244057	925372859	/nfs/dbraw/zinc/37/28/59/925372859.db2.gz	MMFFBVCSZCADCB-CYBMUJFWSA-N	2	0	310.402	-1.134	20	0		DAADRP
Cn1[nH]c(C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)nc1=O	ZINC001406255217	925379213	/nfs/dbraw/zinc/37/92/13/925379213.db2.gz	GIDHSTNVQHESDD-VIFPVBQESA-N	2	0	300.363	-2.373	20	0		DAADRP
CN1CCC[C@H]([NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)C1=O	ZINC001406253506	925379330	/nfs/dbraw/zinc/37/93/30/925379330.db2.gz	CRMXIYIWMRNCKP-NEPJUHHUSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O	ZINC001406254110	925380166	/nfs/dbraw/zinc/38/01/66/925380166.db2.gz	MTPBUGGENQRIQU-RYUDHWBXSA-N	2	0	300.403	-1.341	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1	ZINC001406257325	925380766	/nfs/dbraw/zinc/38/07/66/925380766.db2.gz	JNRFOKWBEKWDTB-CHWSQXEVSA-N	2	0	314.430	-1.079	20	0		DAADRP
CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1)C(N)=O	ZINC001406258700	925382449	/nfs/dbraw/zinc/38/24/49/925382449.db2.gz	NHWSZAZXEMBBFT-NWDGAFQWSA-N	2	0	300.403	-1.341	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1	ZINC001406262815	925384002	/nfs/dbraw/zinc/38/40/02/925384002.db2.gz	XOOHTIWRGUZDBW-LBPRGKRZSA-N	2	0	300.403	-1.469	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1	ZINC001406263864	925386257	/nfs/dbraw/zinc/38/62/57/925386257.db2.gz	FZDHGAQQLVCJQJ-MNOVXSKESA-N	2	0	300.403	-1.471	20	0		DAADRP
C[NH+](C)CCCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O	ZINC001406275745	925389376	/nfs/dbraw/zinc/38/93/76/925389376.db2.gz	VNMCMBUVIGHZTD-VXGBXAGGSA-N	2	0	300.403	-1.327	20	0		DAADRP
CN1CCC[C@H]([NH2+]C[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001406276941	925390994	/nfs/dbraw/zinc/39/09/94/925390994.db2.gz	IECWODAIMJPWEV-STQMWFEESA-N	2	0	324.425	-1.230	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O	ZINC001406315521	925400982	/nfs/dbraw/zinc/40/09/82/925400982.db2.gz	YUAGPAYIRIUHIM-VXGBXAGGSA-N	2	0	300.403	-1.376	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCN(C)C1=O	ZINC001406315011	925401028	/nfs/dbraw/zinc/40/10/28/925401028.db2.gz	YUAGPAYIRIUHIM-NEPJUHHUSA-N	2	0	300.403	-1.376	20	0		DAADRP
C[C@@H]([NH2+]C[C@H](O)CNC(=O)C[NH+]1CCC(C)CC1)C(N)=O	ZINC001406299449	925402000	/nfs/dbraw/zinc/40/20/00/925402000.db2.gz	ZQLOOVNSVCYQNS-NEPJUHHUSA-N	2	0	300.403	-1.341	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001406399562	925413435	/nfs/dbraw/zinc/41/34/35/925413435.db2.gz	LPJMQHACXILUGQ-GHMZBOCLSA-N	2	0	313.402	-1.122	20	0		DAADRP
CN1CCC[C@@H]([NH2+]CCN(CCO)C(=O)CC[NH+](C)C)C1=O	ZINC001407664399	925517188	/nfs/dbraw/zinc/51/71/88/925517188.db2.gz	RIWBALWEXDIPNU-CYBMUJFWSA-N	2	0	314.430	-1.031	20	0		DAADRP
C[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)N(C)C	ZINC001407664519	925517578	/nfs/dbraw/zinc/51/75/78/925517578.db2.gz	COEAOVUFSLMRBV-STQMWFEESA-N	2	0	314.430	-1.175	20	0		DAADRP
NC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001408031038	925541978	/nfs/dbraw/zinc/54/19/78/925541978.db2.gz	VAXFCGDDHNRTJS-HNNXBMFYSA-N	2	0	310.398	-1.489	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001410075222	925674113	/nfs/dbraw/zinc/67/41/13/925674113.db2.gz	CUAFNVITBCFSEB-OLZOCXBDSA-N	2	0	324.425	-1.230	20	0		DAADRP
C[NH+](C)C1(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCCNC2=O)CCC1	ZINC001410665095	925753162	/nfs/dbraw/zinc/75/31/62/925753162.db2.gz	WTWHRZOJCIYHSZ-NWDGAFQWSA-N	2	0	312.414	-1.184	20	0		DAADRP
CC[C@@H]([NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O	ZINC001410680310	925755705	/nfs/dbraw/zinc/75/57/05/925755705.db2.gz	BQUZWEVWLXGDOA-NWDGAFQWSA-N	2	0	312.414	-1.055	20	0		DAADRP
CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O	ZINC001410680317	925755911	/nfs/dbraw/zinc/75/59/11/925755911.db2.gz	BQUZWEVWLXGDOA-VXGBXAGGSA-N	2	0	312.414	-1.055	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCCC1	ZINC001410727273	925767962	/nfs/dbraw/zinc/76/79/62/925767962.db2.gz	JMBCNGWHCICJJA-GFCCVEGCSA-N	2	0	300.403	-1.373	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCC2)C1	ZINC001410754566	925773073	/nfs/dbraw/zinc/77/30/73/925773073.db2.gz	OTMHBJOZYQYNLC-STQMWFEESA-N	2	0	312.414	-1.373	20	0		DAADRP
C[C@@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C[NH+]1CCCC1	ZINC001410840107	925787888	/nfs/dbraw/zinc/78/78/88/925787888.db2.gz	CLEKOINONCXFEZ-MNOVXSKESA-N	2	0	311.386	-1.144	20	0		DAADRP
C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)C1CCC1)C(N)=O	ZINC001411036800	925802106	/nfs/dbraw/zinc/80/21/06/925802106.db2.gz	BSRREHCTTIDDBF-JQWIXIFHSA-N	2	0	300.403	-1.247	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)C[N@H+](C)C1CCC1	ZINC001411044793	925803994	/nfs/dbraw/zinc/80/39/94/925803994.db2.gz	PSOSSPLLFVPSQK-CHWSQXEVSA-N	2	0	312.414	-1.232	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)C1(C[NH+](C)C)CC1	ZINC001411101620	925813739	/nfs/dbraw/zinc/81/37/39/925813739.db2.gz	WREWPZCUXRJTGT-RYUDHWBXSA-N	2	0	312.414	-1.374	20	0		DAADRP
C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1)C(=O)N(C)C	ZINC001411131538	925818657	/nfs/dbraw/zinc/81/86/57/925818657.db2.gz	WQKHFCULEYRSKU-CHWSQXEVSA-N	2	0	314.430	-1.032	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001411148027	925820240	/nfs/dbraw/zinc/82/02/40/925820240.db2.gz	ULIMSZBQJLEIMS-STQMWFEESA-N	2	0	314.430	-1.175	20	0		DAADRP
CN(C[C@H](O)C[N@H+](C)[C@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001411177642	925827457	/nfs/dbraw/zinc/82/74/57/925827457.db2.gz	DBPZLRKZWAMTMX-OLZOCXBDSA-N	2	0	324.425	-1.278	20	0		DAADRP
CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]CC(=O)NC(N)=O)C1	ZINC001411240083	925832999	/nfs/dbraw/zinc/83/29/99/925832999.db2.gz	SNXAORJVDGPRHZ-ILDUYXDCSA-N	2	0	311.386	-1.146	20	0		DAADRP
CNS(=O)(=O)CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC001413413545	926049932	/nfs/dbraw/zinc/04/99/32/926049932.db2.gz	DZULREKEYJCGBD-VXGBXAGGSA-N	2	0	320.459	-1.267	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)CNC(=O)CC[NH+](C)C)C1	ZINC001416783465	926275445	/nfs/dbraw/zinc/27/54/45/926275445.db2.gz	XGQUQRHBQLHCDF-OLZOCXBDSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1	ZINC001418021499	926357172	/nfs/dbraw/zinc/35/71/72/926357172.db2.gz	TWHJBIDBYCLAHV-WCQYABFASA-N	2	0	312.414	-1.076	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1	ZINC001418011366	926358389	/nfs/dbraw/zinc/35/83/89/926358389.db2.gz	SIMJSVLERGQABX-NSHDSACASA-N	2	0	323.397	-1.239	20	0		DAADRP
CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1	ZINC001418349687	926384513	/nfs/dbraw/zinc/38/45/13/926384513.db2.gz	NQVMHCDVFBNQAA-LLVKDONJSA-N	2	0	313.402	-1.039	20	0		DAADRP
C[C@H]([NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O	ZINC001418364780	926385391	/nfs/dbraw/zinc/38/53/91/926385391.db2.gz	WSMNSDMIPPQUIS-WDEREUQCSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1	ZINC001418669055	926415065	/nfs/dbraw/zinc/41/50/65/926415065.db2.gz	BKHDWDYCRZHTQS-GFCCVEGCSA-N	2	0	320.459	-1.075	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	ZINC001419364714	926473861	/nfs/dbraw/zinc/47/38/61/926473861.db2.gz	ISYSTOZHXCAYHM-QWRGUYRKSA-N	2	0	311.386	-1.273	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001420020319	926517242	/nfs/dbraw/zinc/51/72/42/926517242.db2.gz	UUSHARVBASARRX-MNOVXSKESA-N	2	0	311.386	-1.429	20	0		DAADRP
CC(C)CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001420119188	926528504	/nfs/dbraw/zinc/52/85/04/926528504.db2.gz	ZWBKNLPFFBVGDM-CHWSQXEVSA-N	2	0	314.430	-1.081	20	0		DAADRP
Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1	ZINC001420140599	926540826	/nfs/dbraw/zinc/54/08/26/926540826.db2.gz	NUFXQCXRIMPOBR-GFCCVEGCSA-N	2	0	310.402	-1.134	20	0		DAADRP
CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001420191795	926558215	/nfs/dbraw/zinc/55/82/15/926558215.db2.gz	HCZDKCYLBRZCOM-IUCAKERBSA-N	2	0	303.363	-2.412	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001420192856	926558814	/nfs/dbraw/zinc/55/88/14/926558814.db2.gz	RSRWDHBMAIMYEO-NWDGAFQWSA-N	2	0	300.403	-1.471	20	0		DAADRP
O=C(NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O)C12CC[NH+](CC1)C2	ZINC001420197428	926559959	/nfs/dbraw/zinc/55/99/59/926559959.db2.gz	OJHLLUXACSTTNE-VXGBXAGGSA-N	2	0	310.398	-1.573	20	0		DAADRP
C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)C12CC[NH+](CC1)C2	ZINC001420502769	926597238	/nfs/dbraw/zinc/59/72/38/926597238.db2.gz	CKWSTGICPJYZNM-UWVGGRQHSA-N	2	0	311.386	-1.240	20	0		DAADRP
CC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(N)=O)[NH+](C)C	ZINC001420723460	926611672	/nfs/dbraw/zinc/61/16/72/926611672.db2.gz	GLUTZHVZSWYUNN-ZJUUUORDSA-N	2	0	301.391	-1.042	20	0		DAADRP
CC[C@H](C(=O)NC[C@]1(O)CC[N@H+](C[C@@H](O)COC)C1)[NH+](C)C	ZINC001421366712	926675802	/nfs/dbraw/zinc/67/58/02/926675802.db2.gz	WYOLADNTPZJCPR-UMVBOHGHSA-N	2	0	317.430	-1.113	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CC[NH+](CCn3cncn3)C2)C1	ZINC001421396431	926686941	/nfs/dbraw/zinc/68/69/41/926686941.db2.gz	ZLRTWSFQBCNAJR-DZGCQCFKSA-N	2	0	322.413	-1.217	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001421801770	926757463	/nfs/dbraw/zinc/75/74/63/926757463.db2.gz	KRCMBHUPOSEGJO-RYUDHWBXSA-N	2	0	300.403	-1.110	20	0		DAADRP
CC[N@H+](C)CCC(=O)N1CCO[C@@H](C[NH2+]CC(=O)NC)C1	ZINC001421813953	926764759	/nfs/dbraw/zinc/76/47/59/926764759.db2.gz	DFJCMCVBXHNHFI-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
CC[C@@H](C(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1)[NH+](C)C	ZINC001421982994	926777635	/nfs/dbraw/zinc/77/76/35/926777635.db2.gz	FYHZHQLFWQEOPJ-SMDDNHRTSA-N	2	0	300.403	-1.245	20	0		DAADRP
CC[C@H](C(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1)[NH+](C)C	ZINC001421982899	926778392	/nfs/dbraw/zinc/77/83/92/926778392.db2.gz	FYHZHQLFWQEOPJ-BXUZGUMPSA-N	2	0	300.403	-1.245	20	0		DAADRP
CC[C@@H](C(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1)[NH+](C)C	ZINC001421982932	926778806	/nfs/dbraw/zinc/77/88/06/926778806.db2.gz	FYHZHQLFWQEOPJ-FZMZJTMJSA-N	2	0	300.403	-1.245	20	0		DAADRP
NC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1	ZINC001421974978	926779118	/nfs/dbraw/zinc/77/91/18/926779118.db2.gz	ZPRNDCWAVXWDDT-BBRMVZONSA-N	2	0	324.425	-1.243	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC(=O)NC(N)=O)C1	ZINC001422255724	926802398	/nfs/dbraw/zinc/80/23/98/926802398.db2.gz	LVNUDLDAXIQORB-VQXHTEKXSA-N	2	0	311.386	-1.240	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnnn2C)CC[N@@H+]1C	ZINC001422314501	926824686	/nfs/dbraw/zinc/82/46/86/926824686.db2.gz	JUVXSPSKJAKFCR-KGYLQXTDSA-N	2	0	310.402	-1.278	20	0		DAADRP
C[C@H]([NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O	ZINC001422333068	926835552	/nfs/dbraw/zinc/83/55/52/926835552.db2.gz	AFEZEMPBAUXMTI-NWDGAFQWSA-N	2	0	312.414	-1.197	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001422366421	926852009	/nfs/dbraw/zinc/85/20/09/926852009.db2.gz	ZQLKDLWZXTUZTE-RYUDHWBXSA-N	2	0	300.403	-1.469	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O	ZINC001422379136	926857196	/nfs/dbraw/zinc/85/71/96/926857196.db2.gz	KHKNKYWJBSFOFA-RYUDHWBXSA-N	2	0	300.403	-1.327	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCC(C)CC1	ZINC001422391313	926859348	/nfs/dbraw/zinc/85/93/48/926859348.db2.gz	XSENILHZECWGDN-GFCCVEGCSA-N	2	0	300.403	-1.469	20	0		DAADRP
C[C@H]([NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)NC1CC1	ZINC001422403191	926866722	/nfs/dbraw/zinc/86/67/22/926866722.db2.gz	LGWUZLBXZCYPIZ-WCQYABFASA-N	2	0	312.414	-1.184	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21	ZINC001422403325	926867849	/nfs/dbraw/zinc/86/78/49/926867849.db2.gz	LOEPUKKTPJBHGM-QWHCGFSZSA-N	2	0	322.413	-1.072	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1	ZINC001422547723	926884529	/nfs/dbraw/zinc/88/45/29/926884529.db2.gz	FERVMJZTFRXKCG-SNVBAGLBSA-N	2	0	313.402	-1.122	20	0		DAADRP
C[C@@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001422743550	926912124	/nfs/dbraw/zinc/91/21/24/926912124.db2.gz	LRYYDFQJLHDIMV-QWHCGFSZSA-N	2	0	312.414	-1.109	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1	ZINC001422903411	926929719	/nfs/dbraw/zinc/92/97/19/926929719.db2.gz	CJTKFCKCTKVMRE-XYPYZODXSA-N	2	0	311.386	-1.239	20	0		DAADRP
C[C@@H](CN(C)Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CC[N@H+](C)C1	ZINC001422936043	926931547	/nfs/dbraw/zinc/93/15/47/926931547.db2.gz	NSFREQDDMIAHCR-QWRGUYRKSA-N	2	0	310.402	-1.003	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)CC[N@@H+]1C	ZINC001423211453	926973919	/nfs/dbraw/zinc/97/39/19/926973919.db2.gz	LOPHKKVSORQIHR-FRRDWIJNSA-N	2	0	310.402	-1.315	20	0		DAADRP
C[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O)CC1	ZINC001423256617	926999125	/nfs/dbraw/zinc/99/91/25/926999125.db2.gz	HBVJRROOYYLDDW-JTQLQIEISA-N	2	0	315.374	-2.410	20	0		DAADRP
CN1CC[C@H]([NH2+][C@H](CO)CNC(=O)C2CC[NH+](C)CC2)C1=O	ZINC001423260130	927000820	/nfs/dbraw/zinc/00/08/20/927000820.db2.gz	QTKNLLFMKNDGMB-STQMWFEESA-N	2	0	312.414	-1.374	20	0		DAADRP
CN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C2CC[NH+](C)CC2)C1=O	ZINC001423260122	927001148	/nfs/dbraw/zinc/00/11/48/927001148.db2.gz	QTKNLLFMKNDGMB-CHWSQXEVSA-N	2	0	312.414	-1.374	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCN1CCNC1=O	ZINC001423261042	927001954	/nfs/dbraw/zinc/00/19/54/927001954.db2.gz	JGXDJWJHWWPQMO-VXGBXAGGSA-N	2	0	313.402	-1.828	20	0		DAADRP
CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001423293938	927018642	/nfs/dbraw/zinc/01/86/42/927018642.db2.gz	JRPJKQSBTXLKNU-QWHCGFSZSA-N	2	0	324.425	-1.230	20	0		DAADRP
CCCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001423300021	927021124	/nfs/dbraw/zinc/02/11/24/927021124.db2.gz	HAYYVOPITZYHBH-RYUDHWBXSA-N	2	0	300.403	-1.469	20	0		DAADRP
CN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001423301988	927022620	/nfs/dbraw/zinc/02/26/20/927022620.db2.gz	UVBWPCZMBHIWBA-NEPJUHHUSA-N	2	0	310.398	-1.620	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]C[C@@H]1CCc2ncnn21	ZINC001423311281	927026968	/nfs/dbraw/zinc/02/69/68/927026968.db2.gz	XLXYHLQREOAZDE-OLZOCXBDSA-N	2	0	322.413	-1.072	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)C12CCC[NH+]1CCC2	ZINC001423455729	927058396	/nfs/dbraw/zinc/05/83/96/927058396.db2.gz	CMBRKJGBIBHEBT-CHWSQXEVSA-N	2	0	324.425	-1.088	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001423478864	927068895	/nfs/dbraw/zinc/06/88/95/927068895.db2.gz	LERRGNKZFMTDDS-OLZOCXBDSA-N	2	0	324.425	-1.278	20	0		DAADRP
COC[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2	ZINC001423481666	927069189	/nfs/dbraw/zinc/06/91/89/927069189.db2.gz	QFRJDNAMJLDZOX-OLZOCXBDSA-N	2	0	315.414	-1.502	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)CC[NH+]1CCCCC1	ZINC001423494990	927079751	/nfs/dbraw/zinc/07/97/51/927079751.db2.gz	LFESSHBDUJNWEG-LBPRGKRZSA-N	2	0	300.403	-1.243	20	0		DAADRP
CNC(=O)[C@H](C)N(C)C[C@@H](O)CN(C)C(=O)Cn1ccnc1	ZINC001423542441	927090373	/nfs/dbraw/zinc/09/03/73/927090373.db2.gz	KAQRNMYAJOUUSJ-NWDGAFQWSA-N	2	0	311.386	-1.231	20	0		DAADRP
CNC(=O)[C@@H](C)N(C)C[C@H](O)CN(C)C(=O)Cn1ccnc1	ZINC001423542436	927093596	/nfs/dbraw/zinc/09/35/96/927093596.db2.gz	KAQRNMYAJOUUSJ-NEPJUHHUSA-N	2	0	311.386	-1.231	20	0		DAADRP
CC(C)[C@@H](C(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O)[NH+](C)C	ZINC001424050870	927188765	/nfs/dbraw/zinc/18/87/65/927188765.db2.gz	QOEDIIIBCMLUFE-OLZOCXBDSA-N	2	0	314.430	-1.128	20	0		DAADRP
CC[NH+](CC)C[C@H](F)C(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1	ZINC001424222785	927208127	/nfs/dbraw/zinc/20/81/27/927208127.db2.gz	SYJVAOOVFFMDQR-RYUDHWBXSA-N	2	0	318.393	-1.031	20	0		DAADRP
C[C@H]([NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1)C(N)=O	ZINC001424238822	927210024	/nfs/dbraw/zinc/21/00/24/927210024.db2.gz	NFAIDTWUEZJOIV-NWDGAFQWSA-N	2	0	310.398	-1.227	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1	ZINC001425400793	927349459	/nfs/dbraw/zinc/34/94/59/927349459.db2.gz	YFIJVGZTLJVIGG-AVGNSLFASA-N	2	0	312.414	-1.110	20	0		DAADRP
C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)NC(N)=O	ZINC001425628552	927398314	/nfs/dbraw/zinc/39/83/14/927398314.db2.gz	ASEBFNGYJVWBIB-JTQLQIEISA-N	2	0	313.402	-1.040	20	0		DAADRP
O=C(C[NH2+][C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)NC1CC1	ZINC001425762412	927431648	/nfs/dbraw/zinc/43/16/48/927431648.db2.gz	WKZYNKICPFPTOI-KBPBESRZSA-N	2	0	324.425	-1.327	20	0		DAADRP
CN(C[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+]1C	ZINC001425775851	927439833	/nfs/dbraw/zinc/43/98/33/927439833.db2.gz	NKIAPSXNHRZJDU-STQMWFEESA-N	2	0	314.430	-1.032	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCC(C)CC1	ZINC001425819470	927462399	/nfs/dbraw/zinc/46/23/99/927462399.db2.gz	HVUIOIDQGBSNCJ-QWHCGFSZSA-N	2	0	314.430	-1.081	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCC(C)CC1	ZINC001425819464	927462424	/nfs/dbraw/zinc/46/24/24/927462424.db2.gz	HVUIOIDQGBSNCJ-CHWSQXEVSA-N	2	0	314.430	-1.081	20	0		DAADRP
CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001425826883	927465124	/nfs/dbraw/zinc/46/51/24/927465124.db2.gz	CRQCWTLOQHCVNK-VXGBXAGGSA-N	2	0	300.403	-1.469	20	0		DAADRP
O=C(CCC[NH+]1CCCC1)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O	ZINC001425840333	927470535	/nfs/dbraw/zinc/47/05/35/927470535.db2.gz	LSGBTLSOKNCLJG-QWHCGFSZSA-N	2	0	312.414	-1.182	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)CC[NH+](C)C	ZINC001426021936	927507429	/nfs/dbraw/zinc/50/74/29/927507429.db2.gz	FZQHLWYORYLDFE-RYUDHWBXSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC[N@H+](C)CCC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O	ZINC001426026772	927508287	/nfs/dbraw/zinc/50/82/87/927508287.db2.gz	BYBOXGNZTVGOBV-CHWSQXEVSA-N	2	0	314.430	-1.032	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001426032664	927512787	/nfs/dbraw/zinc/51/27/87/927512787.db2.gz	RWHRYQSWWJLYDY-OLZOCXBDSA-N	2	0	324.425	-1.230	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1	ZINC001426057663	927518856	/nfs/dbraw/zinc/51/88/56/927518856.db2.gz	UKDZALMPGGTJBV-CYBMUJFWSA-N	2	0	314.430	-1.031	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)C[NH+]2CCCC2)C1	ZINC001427835193	927686766	/nfs/dbraw/zinc/68/67/66/927686766.db2.gz	YOGFRPGSMDMIBV-STQMWFEESA-N	2	0	312.414	-1.373	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001431534832	928053122	/nfs/dbraw/zinc/05/31/22/928053122.db2.gz	BBSKMLFURWSEBT-CYBMUJFWSA-N	2	0	324.425	-1.229	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[NH+](C)C1	ZINC001431536999	928055634	/nfs/dbraw/zinc/05/56/34/928055634.db2.gz	DHLKVKVFVVUCFR-STQMWFEESA-N	2	0	314.430	-1.128	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C	ZINC001437259132	928441449	/nfs/dbraw/zinc/44/14/49/928441449.db2.gz	FBGWULHVQVWQCH-JTQLQIEISA-N	2	0	301.391	-1.124	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1	ZINC001437281679	928444490	/nfs/dbraw/zinc/44/44/90/928444490.db2.gz	OLTRJYZTQMZLBS-NSHDSACASA-N	2	0	313.402	-1.026	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001437422408	928448671	/nfs/dbraw/zinc/44/86/71/928448671.db2.gz	NHFMUCJZSWMFJW-GHMZBOCLSA-N	2	0	313.402	-1.122	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001437422420	928448713	/nfs/dbraw/zinc/44/87/13/928448713.db2.gz	NHFMUCJZSWMFJW-WDEREUQCSA-N	2	0	313.402	-1.122	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1	ZINC001437734163	928476052	/nfs/dbraw/zinc/47/60/52/928476052.db2.gz	BRPSBGOVYBEFMA-NSHDSACASA-N	2	0	313.402	-1.040	20	0		DAADRP
C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)C(=O)NC(N)=O	ZINC001438526014	928521034	/nfs/dbraw/zinc/52/10/34/928521034.db2.gz	YNGHUVIGRUJGFY-NXEZZACHSA-N	2	0	301.391	-1.137	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C	ZINC001438995496	928565342	/nfs/dbraw/zinc/56/53/42/928565342.db2.gz	CTFDYIOTIYJUQU-QWHCGFSZSA-N	2	0	314.430	-1.081	20	0		DAADRP
CN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1	ZINC001439013878	928577541	/nfs/dbraw/zinc/57/75/41/928577541.db2.gz	OSYBEUYSAAYJNO-CHWSQXEVSA-N	2	0	312.414	-1.232	20	0		DAADRP
CN(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1	ZINC001439013886	928578095	/nfs/dbraw/zinc/57/80/95/928578095.db2.gz	OSYBEUYSAAYJNO-QWHCGFSZSA-N	2	0	312.414	-1.232	20	0		DAADRP
C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C	ZINC001439025953	928583091	/nfs/dbraw/zinc/58/30/91/928583091.db2.gz	MJXUDTFOPVAARV-DGCLKSJQSA-N	2	0	314.430	-1.128	20	0		DAADRP
C[C@H]([NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C	ZINC001439025930	928583645	/nfs/dbraw/zinc/58/36/45/928583645.db2.gz	MJXUDTFOPVAARV-AAEUAGOBSA-N	2	0	314.430	-1.128	20	0		DAADRP
C[C@@H]([NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C	ZINC001439025961	928583939	/nfs/dbraw/zinc/58/39/39/928583939.db2.gz	MJXUDTFOPVAARV-YPMHNXCESA-N	2	0	314.430	-1.128	20	0		DAADRP
CCN(CC)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001439040777	928588204	/nfs/dbraw/zinc/58/82/04/928588204.db2.gz	FEBYUKOEBWCEHJ-QWHCGFSZSA-N	2	0	314.430	-1.127	20	0		DAADRP
CCN(CC)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001439040772	928588573	/nfs/dbraw/zinc/58/85/73/928588573.db2.gz	FEBYUKOEBWCEHJ-OLZOCXBDSA-N	2	0	314.430	-1.127	20	0		DAADRP
CN1CC[C@H]([N@@H+]2CC[C@@](O)(CNC(=O)C[NH+]3CCCC3)C2)C1=O	ZINC001440023583	928668811	/nfs/dbraw/zinc/66/88/11/928668811.db2.gz	NFEHGKMVUHKATK-XJKSGUPXSA-N	2	0	324.425	-1.134	20	0		DAADRP
CN1CC[C@@H]([N@@H+]2CC[C@@](O)(CNC(=O)C[NH+]3CCCC3)C2)C1=O	ZINC001440023580	928670194	/nfs/dbraw/zinc/67/01/94/928670194.db2.gz	NFEHGKMVUHKATK-CZUORRHYSA-N	2	0	324.425	-1.134	20	0		DAADRP
C[C@@H]([NH2+]CCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(N)=O	ZINC001440204021	928705087	/nfs/dbraw/zinc/70/50/87/928705087.db2.gz	GISGYQIOGLUAFB-VXGBXAGGSA-N	2	0	300.403	-1.388	20	0		DAADRP
CN(C)C(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1	ZINC001440550850	928730230	/nfs/dbraw/zinc/73/02/30/928730230.db2.gz	QUFLTIRYRPOXAH-HNNXBMFYSA-N	2	0	314.430	-1.031	20	0		DAADRP
CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H](C)C1	ZINC001440592861	928732696	/nfs/dbraw/zinc/73/26/96/928732696.db2.gz	AYKPLCVFEMONKD-QWRGUYRKSA-N	2	0	313.402	-1.040	20	0		DAADRP
CNC(=O)C[NH2+]CC1(O)CCN(C(=O)CC[NH+](C)C)CC1	ZINC001440622830	928735509	/nfs/dbraw/zinc/73/55/09/928735509.db2.gz	HUUXHHNIODIQBI-UHFFFAOYSA-N	2	0	300.403	-1.373	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001440761562	928742503	/nfs/dbraw/zinc/74/25/03/928742503.db2.gz	QPXOZMZLUUDNOX-HSOILSAZSA-N	2	0	311.386	-1.383	20	0		DAADRP
C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C(=O)NC(N)=O	ZINC001441441965	928789072	/nfs/dbraw/zinc/78/90/72/928789072.db2.gz	SMFQVLQMXYKJMH-LMLFDSFASA-N	2	0	311.386	-1.242	20	0		DAADRP
C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(=O)NC(N)=O	ZINC001441441961	928789826	/nfs/dbraw/zinc/78/98/26/928789826.db2.gz	SMFQVLQMXYKJMH-GWOFURMSSA-N	2	0	311.386	-1.242	20	0		DAADRP
C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1)C(=O)NC(N)=O	ZINC001441533458	928795142	/nfs/dbraw/zinc/79/51/42/928795142.db2.gz	MGUWJFNIALJXSE-MXWKQRLJSA-N	2	0	311.386	-1.098	20	0		DAADRP
CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C1CCC1	ZINC001441704527	928825819	/nfs/dbraw/zinc/82/58/19/928825819.db2.gz	CKNKXAAQANFWKL-LLVKDONJSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[C@@H]([NH2+][C@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O	ZINC001441709811	928831459	/nfs/dbraw/zinc/83/14/59/928831459.db2.gz	HGPHPBYOWHXASH-NEPJUHHUSA-N	2	0	312.414	-1.197	20	0		DAADRP
CN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C2([NH+](C)C)CCC2)C1=O	ZINC001441709913	928831488	/nfs/dbraw/zinc/83/14/88/928831488.db2.gz	LSSSRORFVMJLPJ-NEPJUHHUSA-N	2	0	312.414	-1.232	20	0		DAADRP
CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1	ZINC001441751610	928851204	/nfs/dbraw/zinc/85/12/04/928851204.db2.gz	UTMITTDTFPFOMU-CYBMUJFWSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)COC1CC[NH+](C)CC1	ZINC001441769164	928857875	/nfs/dbraw/zinc/85/78/75/928857875.db2.gz	QECHHTGDRGTNFR-VXGBXAGGSA-N	2	0	303.403	-1.455	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O	ZINC001441781943	928862344	/nfs/dbraw/zinc/86/23/44/928862344.db2.gz	QCHYZCDJAJJKRP-NWDGAFQWSA-N	2	0	300.403	-1.327	20	0		DAADRP
C[C@H]([NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)C(=O)NC1CC1	ZINC001441786178	928866277	/nfs/dbraw/zinc/86/62/77/928866277.db2.gz	JZRDBJSMIYVPJL-WCQYABFASA-N	2	0	324.425	-1.184	20	0		DAADRP
C[C@H]([NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)C(=O)NC1CC1	ZINC001441784779	928866793	/nfs/dbraw/zinc/86/67/93/928866793.db2.gz	JZRDBJSMIYVPJL-AAEUAGOBSA-N	2	0	324.425	-1.184	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O	ZINC001441827706	928872142	/nfs/dbraw/zinc/87/21/42/928872142.db2.gz	OMSZDNHSQFVYHX-NWDGAFQWSA-N	2	0	300.403	-1.328	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@H]1CCCNC1=O	ZINC001441827701	928872485	/nfs/dbraw/zinc/87/24/85/928872485.db2.gz	OMSZDNHSQFVYHX-NEPJUHHUSA-N	2	0	300.403	-1.328	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C	ZINC001442003744	928904247	/nfs/dbraw/zinc/90/42/47/928904247.db2.gz	XQQHYVLBPULACG-JTQLQIEISA-N	2	0	317.390	-2.197	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001442002361	928904852	/nfs/dbraw/zinc/90/48/52/928904852.db2.gz	VSYLVJCXGLUHJU-CYBMUJFWSA-N	2	0	314.430	-1.175	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@H]1CCCN(C)C1=O)C(=O)CC[NH+](C)C	ZINC001442003331	928905164	/nfs/dbraw/zinc/90/51/64/928905164.db2.gz	WOGHJJGSLMHFHH-OLZOCXBDSA-N	2	0	314.430	-1.032	20	0		DAADRP
CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(=O)NC)[NH+](C)C	ZINC001442011041	928907606	/nfs/dbraw/zinc/90/76/06/928907606.db2.gz	PFTQOOOMTVEUMM-UWVGGRQHSA-N	2	0	301.391	-1.124	20	0		DAADRP
CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(=O)NC)[NH+](C)C	ZINC001442011046	928908690	/nfs/dbraw/zinc/90/86/90/928908690.db2.gz	PFTQOOOMTVEUMM-ZJUUUORDSA-N	2	0	301.391	-1.124	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC(N)=O	ZINC001442033884	928913097	/nfs/dbraw/zinc/91/30/97/928913097.db2.gz	MPUGZDUIACPZTE-JTQLQIEISA-N	2	0	317.390	-2.070	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)C12CC[NH+](CC1)C2	ZINC001442046458	928917160	/nfs/dbraw/zinc/91/71/60/928917160.db2.gz	RVRSPMRLVYIYEV-ZDUSSCGKSA-N	2	0	324.425	-1.230	20	0		DAADRP
CC[N@H+](C)CCC(=O)N(C)C[C@H](O)C[NH+](C)[C@H]1CCNC1=O	ZINC001442095402	928928117	/nfs/dbraw/zinc/92/81/17/928928117.db2.gz	OSGYZBOIFAUXQW-OLZOCXBDSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)C[NH+]1CCCC1	ZINC001444189911	929083339	/nfs/dbraw/zinc/08/33/39/929083339.db2.gz	FAYGDSOMDWWCGR-QWHCGFSZSA-N	2	0	312.414	-1.230	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)C[NH+]1CCCC1	ZINC001444189908	929083645	/nfs/dbraw/zinc/08/36/45/929083645.db2.gz	FAYGDSOMDWWCGR-CHWSQXEVSA-N	2	0	312.414	-1.230	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001444310720	929110760	/nfs/dbraw/zinc/11/07/60/929110760.db2.gz	PFQSMAWXRWCMNB-OLZOCXBDSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C1CC[NH+](C)CC1	ZINC001444661135	929142772	/nfs/dbraw/zinc/14/27/72/929142772.db2.gz	COEWWQNXXHIJDF-SNVBAGLBSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1	ZINC001445162852	929172841	/nfs/dbraw/zinc/17/28/41/929172841.db2.gz	SUHYKMPDHQBATD-OLZOCXBDSA-N	2	0	312.414	-1.230	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2	ZINC001445201571	929184939	/nfs/dbraw/zinc/18/49/39/929184939.db2.gz	GUFQBHGYGFTEAO-LBPRGKRZSA-N	2	0	312.414	-1.325	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1	ZINC001445227525	929193806	/nfs/dbraw/zinc/19/38/06/929193806.db2.gz	UITRPGOIMMJPEP-RYUDHWBXSA-N	2	0	321.443	-1.561	20	0		DAADRP
COC[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001445237830	929197112	/nfs/dbraw/zinc/19/71/12/929197112.db2.gz	SAFVUXGQJJDBSF-XUXIUFHCSA-N	2	0	317.430	-1.209	20	0		DAADRP
CCn1nncc1C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001445264818	929202872	/nfs/dbraw/zinc/20/28/72/929202872.db2.gz	TZNGOSUEJUUGHL-ZDUSSCGKSA-N	2	0	322.413	-1.040	20	0		DAADRP
CN1CCC[C@H]([NH2+]C[C@H](O)CNC(=O)C[NH+]2CCCC2)C1=O	ZINC001445260704	929203788	/nfs/dbraw/zinc/20/37/88/929203788.db2.gz	AAEBIPHQQWJYPR-STQMWFEESA-N	2	0	312.414	-1.230	20	0		DAADRP
CN1CCC[C@H]([NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCCC2)C1=O	ZINC001445260692	929204427	/nfs/dbraw/zinc/20/44/27/929204427.db2.gz	AAEBIPHQQWJYPR-OLZOCXBDSA-N	2	0	312.414	-1.230	20	0		DAADRP
CN1CCC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCCC2)C1=O	ZINC001445260669	929205336	/nfs/dbraw/zinc/20/53/36/929205336.db2.gz	AAEBIPHQQWJYPR-CHWSQXEVSA-N	2	0	312.414	-1.230	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1	ZINC001445268905	929207156	/nfs/dbraw/zinc/20/71/56/929207156.db2.gz	LFNBBTKXJBONAD-ZDUSSCGKSA-N	2	0	312.414	-1.229	20	0		DAADRP
O=C(C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)NC1CC1	ZINC001445266929	929207553	/nfs/dbraw/zinc/20/75/53/929207553.db2.gz	XQTQMYIGFANHIL-GFCCVEGCSA-N	2	0	310.398	-1.573	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001445276447	929210162	/nfs/dbraw/zinc/21/01/62/929210162.db2.gz	MJADCNAVZCXCQA-OLZOCXBDSA-N	2	0	314.430	-1.127	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001445276450	929210793	/nfs/dbraw/zinc/21/07/93/929210793.db2.gz	MJADCNAVZCXCQA-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001445278022	929213414	/nfs/dbraw/zinc/21/34/14/929213414.db2.gz	WZQIIKYRVKHIKW-NWDGAFQWSA-N	2	0	300.403	-1.517	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1	ZINC001445431834	929219999	/nfs/dbraw/zinc/21/99/99/929219999.db2.gz	BUHICVAYNPHQLP-SNVBAGLBSA-N	2	0	313.402	-1.122	20	0		DAADRP
CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NC)[NH+](C)C	ZINC001445478196	929222365	/nfs/dbraw/zinc/22/23/65/929222365.db2.gz	CJEOHEUJGPAFRH-ZJUUUORDSA-N	2	0	301.391	-1.124	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2	ZINC001445483544	929225607	/nfs/dbraw/zinc/22/56/07/929225607.db2.gz	UHCNXOJCCUSCDG-SNVBAGLBSA-N	2	0	311.386	-1.368	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O	ZINC001445660949	929247356	/nfs/dbraw/zinc/24/73/56/929247356.db2.gz	GIZJTCVHFKCHPY-UPJWGTAASA-N	2	0	312.414	-1.422	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O	ZINC001445663549	929249306	/nfs/dbraw/zinc/24/93/06/929249306.db2.gz	OGSSVBUWRCJYCZ-OLZOCXBDSA-N	2	0	314.430	-1.032	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1	ZINC001447289662	929380483	/nfs/dbraw/zinc/38/04/83/929380483.db2.gz	YMIOITCCZPJILB-FRRDWIJNSA-N	2	0	312.414	-1.110	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1	ZINC001447294473	929381082	/nfs/dbraw/zinc/38/10/82/929381082.db2.gz	AHQNYOZIQPDPEH-CHWSQXEVSA-N	2	0	312.414	-1.109	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1	ZINC001447289664	929381643	/nfs/dbraw/zinc/38/16/43/929381643.db2.gz	YMIOITCCZPJILB-JHJVBQTASA-N	2	0	312.414	-1.110	20	0		DAADRP
COC[C@@H](O)C[NH+]1CCC(CO)(NC(=O)CC[NH+](C)C)CC1	ZINC001447733038	929409718	/nfs/dbraw/zinc/40/97/18/929409718.db2.gz	UXRRTACBUMQXQZ-ZDUSSCGKSA-N	2	0	317.430	-1.112	20	0		DAADRP
CNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001448461743	929454627	/nfs/dbraw/zinc/45/46/27/929454627.db2.gz	ROOLADHEMIVYFM-RYUDHWBXSA-N	2	0	300.403	-1.110	20	0		DAADRP
CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001448833551	929486832	/nfs/dbraw/zinc/48/68/32/929486832.db2.gz	CJYXKNHHMBIHAC-CHWSQXEVSA-N	2	0	312.414	-1.469	20	0		DAADRP
C[C@H]([NH2+][C@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C)C(N)=O	ZINC001448913138	929513946	/nfs/dbraw/zinc/51/39/46/929513946.db2.gz	VMLUCLWQGKQLBT-QWRGUYRKSA-N	2	0	302.419	-1.095	20	0		DAADRP
C[C@@H]([NH2+][C@@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C)C(N)=O	ZINC001448913124	929514135	/nfs/dbraw/zinc/51/41/35/929514135.db2.gz	VMLUCLWQGKQLBT-GHMZBOCLSA-N	2	0	302.419	-1.095	20	0		DAADRP
CNC(=O)C[NH2+][C@@H](CO)CNC(=O)COC1CC[NH+](C)CC1	ZINC001448922087	929517272	/nfs/dbraw/zinc/51/72/72/929517272.db2.gz	ODLVDTZGSYLMHM-LLVKDONJSA-N	2	0	316.402	-2.090	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C(C)C	ZINC001448945945	929522105	/nfs/dbraw/zinc/52/21/05/929522105.db2.gz	BPDPNHPDKANMMJ-SNVBAGLBSA-N	2	0	317.390	-2.151	20	0		DAADRP
NC(=O)C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](CC2CC2)CC1	ZINC001448943496	929523583	/nfs/dbraw/zinc/52/35/83/929523583.db2.gz	XXSXNFLQDCHMTK-ZDUSSCGKSA-N	2	0	312.414	-1.340	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@H](C)C(=O)NC(N)=O	ZINC001448953157	929524567	/nfs/dbraw/zinc/52/45/67/929524567.db2.gz	VFSDOTAGKHEXCW-NXEZZACHSA-N	2	0	317.390	-2.023	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001449141840	929550998	/nfs/dbraw/zinc/55/09/98/929550998.db2.gz	AEERDURIMZCUII-AAEUAGOBSA-N	2	0	314.430	-1.128	20	0		DAADRP
C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C)C(=O)N(C)C	ZINC001449148420	929553650	/nfs/dbraw/zinc/55/36/50/929553650.db2.gz	TVZNXBUPEKXMJQ-NWDGAFQWSA-N	2	0	302.419	-1.176	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2	ZINC001449148846	929554489	/nfs/dbraw/zinc/55/44/89/929554489.db2.gz	VUDQCVVKNZRXMT-LBPRGKRZSA-N	2	0	312.414	-1.230	20	0		DAADRP
CN(C[C@H](O)C[N@H+](C)CCn1cncn1)C(=O)[C@@H]1CC[NH+](C)C1	ZINC001449250294	929575501	/nfs/dbraw/zinc/57/55/01/929575501.db2.gz	WMHVMPHJEVCRGL-ZIAGYGMSSA-N	2	0	324.429	-1.019	20	0		DAADRP
CN(C[C@H](O)C[N@H+](C)CCn1cncn1)C(=O)[C@H]1CC[NH+](C)C1	ZINC001449250290	929576898	/nfs/dbraw/zinc/57/68/98/929576898.db2.gz	WMHVMPHJEVCRGL-UONOGXRCSA-N	2	0	324.429	-1.019	20	0		DAADRP
[NH3+]CCN1CCC[C@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1=O	ZINC001521540914	929662606	/nfs/dbraw/zinc/66/26/06/929662606.db2.gz	NJOFTFUPMGAXOR-KGLIPLIRSA-N	2	0	323.441	-1.310	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O	ZINC001521504478	929663756	/nfs/dbraw/zinc/66/37/56/929663756.db2.gz	VAMNSDODQCNPNO-STQMWFEESA-N	2	0	311.430	-1.454	20	0		DAADRP
C[C@H](C(=O)NCC[NH2+]CCNC(=O)[C@@H](C)[NH+](C)C)[NH+](C)C	ZINC001523665874	929729402	/nfs/dbraw/zinc/72/94/02/929729402.db2.gz	BHVCMGWWVKFYPV-VXGBXAGGSA-N	3	0	301.435	-1.291	20	0		DAADRP
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C	ZINC001548724601	930039150	/nfs/dbraw/zinc/03/91/50/930039150.db2.gz	QHROGHMQMOSPSL-MGPQQGTHSA-N	2	0	323.441	-1.047	20	0		DAADRP
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C	ZINC001548724592	930040526	/nfs/dbraw/zinc/04/05/26/930040526.db2.gz	QHROGHMQMOSPSL-HZSPNIEDSA-N	2	0	323.441	-1.047	20	0		DAADRP
C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@H]1C[NH+]2CCN1CCC2	ZINC001548700841	930041195	/nfs/dbraw/zinc/04/11/95/930041195.db2.gz	DQWFYGLKMJVAOG-QLFBSQMISA-N	2	0	307.442	-1.119	20	0		DAADRP
CC(C)[C@@H]([NH3+])C(=O)NCC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC001549045541	930047657	/nfs/dbraw/zinc/04/76/57/930047657.db2.gz	CWOZEKQUXYMFPM-GXTWGEPZSA-N	2	0	311.430	-1.408	20	0		DAADRP
CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1	ZINC001549050345	930050347	/nfs/dbraw/zinc/05/03/47/930050347.db2.gz	LGPXTECQGICXNU-BZPMIXESSA-N	2	0	322.413	-1.227	20	0		DAADRP
Cn1cc([C@@H]2CN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C[C@@H]2[NH3+])cn1	ZINC001549049637	930051465	/nfs/dbraw/zinc/05/14/65/930051465.db2.gz	FEDBRPIKXOYBGF-AVGNSLFASA-N	2	0	320.397	-1.459	20	0		DAADRP
CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC3CC2(C[NH3+])C3)nn1	ZINC001549298710	930052570	/nfs/dbraw/zinc/05/25/70/930052570.db2.gz	NGAKEDTUWAWXIA-MXYZKLHESA-N	2	0	320.397	-1.070	20	0		DAADRP
O=C(N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1(O)C[NH2+]C1	ZINC001549293536	930052684	/nfs/dbraw/zinc/05/26/84/930052684.db2.gz	WSIUWZGXJIIPAQ-VXGBXAGGSA-N	2	0	323.397	-1.933	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)NCC23CC(C2)C[NH2+]3)nn1	ZINC001549299810	930053234	/nfs/dbraw/zinc/05/32/34/930053234.db2.gz	KJIJVONRAYAYJR-MLSPROAXSA-N	2	0	320.397	-1.152	20	0		DAADRP
O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)[C@@H]1C[NH2+]CCO1	ZINC001549728036	930058378	/nfs/dbraw/zinc/05/83/78/930058378.db2.gz	GIVMHMZOYGNNOR-SGMGOOAPSA-N	2	0	310.398	-1.262	20	0		DAADRP
O=C(CN1CC[NH2+]CC1)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1	ZINC001549729814	930058969	/nfs/dbraw/zinc/05/89/69/930058969.db2.gz	CWOODBFPBISHHJ-BBRMVZONSA-N	2	0	323.441	-1.345	20	0		DAADRP
O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@@H]1C[NH2+]CCO1	ZINC001549728021	930059569	/nfs/dbraw/zinc/05/95/69/930059569.db2.gz	GIVMHMZOYGNNOR-OBJOEFQTSA-N	2	0	310.398	-1.262	20	0		DAADRP
O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@]12C[NH2+]C[C@H]1COC2	ZINC001550086160	930060950	/nfs/dbraw/zinc/06/09/50/930060950.db2.gz	CGHSRUBXQZQGIR-SUHUHFCYSA-N	2	0	306.370	-1.335	20	0		DAADRP
[NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@@]34C[NH2+]C[C@@H]3COC4)C2)nn1	ZINC001550096602	930062510	/nfs/dbraw/zinc/06/25/10/930062510.db2.gz	NDWBYGZNHZNQPS-MPKXVKKWSA-N	2	0	306.370	-1.254	20	0		DAADRP
COC[C@]1(C(=O)N2C[C@H]([NH3+])[C@H](c3cn(C)cn3)C2)C[NH2+]CCO1	ZINC001550112866	930063162	/nfs/dbraw/zinc/06/31/62/930063162.db2.gz	LMXGSGFOPWSESQ-XUJVJEKNSA-N	2	0	323.397	-1.322	20	0		DAADRP
CNC(=O)[C@@]12C[N@H+](CC(=O)N3CC[NH2+]CC3)C[C@@H]1COCC2	ZINC001551410447	930064542	/nfs/dbraw/zinc/06/45/42/930064542.db2.gz	QFDNNLBDFOADCZ-DOMZBBRYSA-N	2	0	310.398	-1.497	20	0		DAADRP
CNC(=O)[C@@]12C[N@H+](CCC(=O)N3CC[NH2+]CC3)C[C@H]1COCC2	ZINC001551411992	930067389	/nfs/dbraw/zinc/06/73/89/930067389.db2.gz	UUZPEMRMRNMRLO-BBRMVZONSA-N	2	0	324.425	-1.107	20	0		DAADRP
CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)NCC2([NH3+])CCC2)nn1	ZINC001552161273	930068736	/nfs/dbraw/zinc/06/87/36/930068736.db2.gz	LGCNINQPVKAQFM-PWSUYJOCSA-N	2	0	308.386	-1.023	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)NCC2([NH3+])CCC2)nn1	ZINC001552161275	930069394	/nfs/dbraw/zinc/06/93/94/930069394.db2.gz	LGCNINQPVKAQFM-ZYHUDNBSSA-N	2	0	308.386	-1.023	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N[C@H]2CC[NH2+][C@@H]2C)nn1	ZINC001552255842	930070246	/nfs/dbraw/zinc/07/02/46/930070246.db2.gz	CJBLKURKBNEALF-HNCHTBHHSA-N	2	0	308.386	-1.154	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[NH2+][C@@H](C)C2)nn1	ZINC001552163056	930070613	/nfs/dbraw/zinc/07/06/13/930070613.db2.gz	SNYOXFRXPZJVDJ-GMXVVIOVSA-N	2	0	308.386	-1.200	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[NH2+]C[C@H]2C)nn1	ZINC001552162090	930071039	/nfs/dbraw/zinc/07/10/39/930071039.db2.gz	VOTXISPQXKBMFY-NQBHXWOUSA-N	2	0	308.386	-1.200	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC[C@@H]([NH3+])C2)nn1	ZINC001552162567	930071147	/nfs/dbraw/zinc/07/11/47/930071147.db2.gz	BMWCPJRCDYIUCM-NQBHXWOUSA-N	2	0	308.386	-1.070	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)NC[C@H]2CCC[NH2+]2)nn1	ZINC001552163326	930071432	/nfs/dbraw/zinc/07/14/32/930071432.db2.gz	NHTHRQMQVDSKQU-NTZNESFSSA-N	2	0	308.386	-1.152	20	0		DAADRP
Cc1c(C(=O)N2CCN(C)C[C@H]2C[NH3+])nnn1[C@H]1CC[NH2+]C1	ZINC001552420694	930072430	/nfs/dbraw/zinc/07/24/30/930072430.db2.gz	ZBQPAJWNHGJRJR-NWDGAFQWSA-N	2	0	307.402	-1.164	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N[C@@H]2CC[NH2+][C@H]2C)nn1	ZINC001552255851	930072599	/nfs/dbraw/zinc/07/25/99/930072599.db2.gz	CJBLKURKBNEALF-SBFPOUOMSA-N	2	0	308.386	-1.154	20	0		DAADRP
[NH3+][C@@H]1C[C@@H]2CN(C(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)CCN2C1=O	ZINC001552376085	930072780	/nfs/dbraw/zinc/07/27/80/930072780.db2.gz	OPYCCNBUWWPDOF-HOSYDEDBSA-N	2	0	318.381	-1.129	20	0		DAADRP
O=C(NCCN1CC[NH2+]CC1)c1cnnn1C1CC[NH2+]CC1	ZINC001552418621	930072859	/nfs/dbraw/zinc/07/28/59/930072859.db2.gz	HZIHMAVCFGOHGR-UHFFFAOYSA-N	2	0	307.402	-1.162	20	0		DAADRP
Cc1c(C(=O)NCCN2CC[NH2+]CC2)nnn1[C@H]1CC[NH2+]C1	ZINC001552419237	930073095	/nfs/dbraw/zinc/07/30/95/930073095.db2.gz	RPZQPTDHMKYTEF-LBPRGKRZSA-N	2	0	307.402	-1.244	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1	ZINC001552258521	930073107	/nfs/dbraw/zinc/07/31/07/930073107.db2.gz	TZUDQILQWBIUFV-KZVDOYCCSA-N	2	0	320.397	-1.057	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N[C@H]2CC[NH2+][C@H]2C)nn1	ZINC001552255854	930073347	/nfs/dbraw/zinc/07/33/47/930073347.db2.gz	CJBLKURKBNEALF-SRRSOLGSSA-N	2	0	308.386	-1.154	20	0		DAADRP
O=C(CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1	ZINC001552418546	930073383	/nfs/dbraw/zinc/07/33/83/930073383.db2.gz	CBCZVAHAZXLBFM-SNVBAGLBSA-N	2	0	306.370	-1.352	20	0		DAADRP
CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1	ZINC000167406577	545721560	/nfs/dbraw/zinc/72/15/60/545721560.db2.gz	BQJMDMHYVPZJFH-CYBMUJFWSA-N	2	0	312.414	-1.013	20	0		DAADRP
C[C@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1C	ZINC000351553050	545722613	/nfs/dbraw/zinc/72/26/13/545722613.db2.gz	CWVDLUMAPDFNJM-AVGNSLFASA-N	2	0	312.414	-1.232	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)CC1=O	ZINC000424046459	545776226	/nfs/dbraw/zinc/77/62/26/545776226.db2.gz	QOHJSQYOQDRFGM-FRRDWIJNSA-N	2	0	310.398	-1.404	20	0		DAADRP
CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)[C@@H](C[NH3+])C1	ZINC000642785674	372809399	/nfs/dbraw/zinc/80/93/99/372809399.db2.gz	CRMXVKJDJANNPW-KBPBESRZSA-N	2	0	323.441	-1.312	20	0		DAADRP
COCC[N@@H+]1CC[C@@H](NS(=O)(=O)C[C@H]2CN(C)CCO2)C1	ZINC000632254865	372836485	/nfs/dbraw/zinc/83/64/85/372836485.db2.gz	BAONJNMLPPAICM-CHWSQXEVSA-N	2	0	321.443	-1.043	20	0		DAADRP
CN1CCO[C@H](CS(=O)(=O)NCCN2CCCOCC2)C1	ZINC000632259495	372840050	/nfs/dbraw/zinc/84/00/50/372840050.db2.gz	MBZRUWHHOYOLTQ-ZDUSSCGKSA-N	2	0	321.443	-1.041	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1=O	ZINC000566924876	372881867	/nfs/dbraw/zinc/88/18/67/372881867.db2.gz	UELZQSNWVJRDDF-AVGNSLFASA-N	2	0	312.414	-1.470	20	0		DAADRP
C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H](C)[NH+](C)C)[NH+](C)C	ZINC000635957202	372903451	/nfs/dbraw/zinc/90/34/51/372903451.db2.gz	GGASERWPACUWGT-IJLUTSLNSA-N	2	0	302.419	-1.178	20	0		DAADRP
CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC000627365691	372916201	/nfs/dbraw/zinc/91/62/01/372916201.db2.gz	WTMWLVDOORPLJW-VXGBXAGGSA-N	2	0	300.403	-1.063	20	0		DAADRP
O=C(C(=O)N1CC[NH+](CC2CC[NH2+]CC2)CC1)N1CCOCC1	ZINC000178956549	372926899	/nfs/dbraw/zinc/92/68/99/372926899.db2.gz	UOFWVRNQNKNADE-UHFFFAOYSA-N	2	0	324.425	-1.011	20	0		DAADRP
C[NH+](C)CCNC(=O)C[C@]1(C(=O)NCC[NH+](C)C)CC[NH2+]C1	ZINC000368596282	372940829	/nfs/dbraw/zinc/94/08/29/372940829.db2.gz	CGJFQUIUZVPQKV-OAHLLOKOSA-N	3	0	313.446	-1.288	20	0		DAADRP
C[NH+](C)CCCS(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1	ZINC000601343414	372941085	/nfs/dbraw/zinc/94/10/85/372941085.db2.gz	NMMHPXBXFBYEIT-GHMZBOCLSA-N	2	0	304.416	-1.488	20	0		DAADRP
COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1	ZINC000592557237	372974056	/nfs/dbraw/zinc/97/40/56/372974056.db2.gz	XBSPETJZXWNSBB-QWRGUYRKSA-N	2	0	312.370	-1.782	20	0		DAADRP
COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CNC(=O)[C@@H]([NH3+])C(C)C	ZINC000592557529	372974264	/nfs/dbraw/zinc/97/42/64/372974264.db2.gz	ZHJUVWQRCVJAPL-PWSUYJOCSA-N	2	0	314.386	-1.551	20	0		DAADRP
CN(CC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1	ZINC000595983534	373008115	/nfs/dbraw/zinc/00/81/15/373008115.db2.gz	DPOZOTAWDIJVER-WDEREUQCSA-N	2	0	311.386	-2.223	20	0		DAADRP
CN(CC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1	ZINC000595983531	373008440	/nfs/dbraw/zinc/00/84/40/373008440.db2.gz	DPOZOTAWDIJVER-GHMZBOCLSA-N	2	0	311.386	-2.223	20	0		DAADRP
Cn1cnc2c1c(=O)n(CCC[N@H+](C)C[C@@H](O)C[NH3+])c(=O)n2C	ZINC000563216339	373114036	/nfs/dbraw/zinc/11/40/36/373114036.db2.gz	YXTZEWNEDRENSW-JTQLQIEISA-N	2	0	324.385	-1.925	20	0		DAADRP
COC(=O)C[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000563619781	373139714	/nfs/dbraw/zinc/13/97/14/373139714.db2.gz	HDRWHEHNSNUMNK-QWRGUYRKSA-N	2	0	314.386	-1.420	20	0		DAADRP
CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)CN1CC[NH+](C)CC1	ZINC000263260729	373144426	/nfs/dbraw/zinc/14/44/26/373144426.db2.gz	SOHGTFTXPWSBJH-OCCSQVGLSA-N	2	0	313.446	-1.162	20	0		DAADRP
CO[C@@H](C[NH3+])CC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000638479871	373221227	/nfs/dbraw/zinc/22/12/27/373221227.db2.gz	GLCKLBWPEXEXBK-GFCCVEGCSA-N	2	0	313.402	-1.480	20	0		DAADRP
[NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000638486454	373222268	/nfs/dbraw/zinc/22/22/68/373222268.db2.gz	SUDURZMCHDNKMH-NEPJUHHUSA-N	2	0	311.386	-1.728	20	0		DAADRP
O=C(CN1CC[NH2+]CC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000638483128	373222305	/nfs/dbraw/zinc/22/23/05/373222305.db2.gz	CDSOUEVQRWTIPB-UHFFFAOYSA-N	2	0	324.429	-1.939	20	0		DAADRP
CO[C@H](C[NH3+])CC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000638479872	373222348	/nfs/dbraw/zinc/22/23/48/373222348.db2.gz	GLCKLBWPEXEXBK-LBPRGKRZSA-N	2	0	313.402	-1.480	20	0		DAADRP
O=C(CN1CC[NH2+]CC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000637814162	373183675	/nfs/dbraw/zinc/18/36/75/373183675.db2.gz	HUBDWRNDBVGCLW-CQSZACIVSA-N	2	0	323.441	-1.438	20	0		DAADRP
CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cnn(CC[NH+](C)C)c1	ZINC000637809808	373184187	/nfs/dbraw/zinc/18/41/87/373184187.db2.gz	FVJKYLZEPWUDSG-UHFFFAOYSA-N	2	0	322.413	-1.052	20	0		DAADRP
C[NH2+]CCOCCN(C)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1	ZINC000638591568	373233413	/nfs/dbraw/zinc/23/34/13/373233413.db2.gz	JVYLUTDBQBHOSM-GFCCVEGCSA-N	2	0	300.403	-1.061	20	0		DAADRP
CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]([NH3+])COC)CC1	ZINC000262400822	373333928	/nfs/dbraw/zinc/33/39/28/373333928.db2.gz	ZRJIJVGUJGYNIN-LBPRGKRZSA-N	2	0	300.403	-1.027	20	0		DAADRP
CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1	ZINC000612544019	373359144	/nfs/dbraw/zinc/35/91/44/373359144.db2.gz	VFSWUKZZWSGQQT-MELADBBJSA-N	2	0	324.425	-1.136	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21	ZINC000629805357	373409014	/nfs/dbraw/zinc/40/90/14/373409014.db2.gz	YNACDKXILMMJCY-STQMWFEESA-N	2	0	312.414	-1.027	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C	ZINC000629809582	373411127	/nfs/dbraw/zinc/41/11/27/373411127.db2.gz	SCCLYJXRIQARGC-LBPRGKRZSA-N	2	0	300.403	-1.027	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C	ZINC000629809581	373411359	/nfs/dbraw/zinc/41/13/59/373411359.db2.gz	SCCLYJXRIQARGC-GFCCVEGCSA-N	2	0	300.403	-1.027	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1=O	ZINC000629913581	373413937	/nfs/dbraw/zinc/41/39/37/373413937.db2.gz	LLISRGCUCCIGHN-STQMWFEESA-N	2	0	312.414	-1.421	20	0		DAADRP
Cn1c2ncn(CC[N@H+](C)CCOCC[NH3+])c2c(=O)n(C)c1=O	ZINC000629577967	373399462	/nfs/dbraw/zinc/39/94/62/373399462.db2.gz	MBZSWZOIUVPCOE-UHFFFAOYSA-N	2	0	324.385	-1.659	20	0		DAADRP
CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1	ZINC000631901582	373440074	/nfs/dbraw/zinc/44/00/74/373440074.db2.gz	IIUPNHCRUBSZNN-NSHDSACASA-N	2	0	320.415	-2.332	20	0		DAADRP
COC[C@@]1(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)CCC[NH2+]1	ZINC000631936426	373442028	/nfs/dbraw/zinc/44/20/28/373442028.db2.gz	BVYMNJSNVLMHFM-NEPJUHHUSA-N	2	0	307.416	-1.337	20	0		DAADRP
COCC1(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[NH2+]CC1	ZINC000631937058	373443240	/nfs/dbraw/zinc/44/32/40/373443240.db2.gz	SGCLPHMLMMXEHK-LBPRGKRZSA-N	2	0	321.443	-1.090	20	0		DAADRP
C[NH2+]CCOCCN(C)C(=O)NCC(=O)N1CC[NH2+]CC1	ZINC000627062688	373448096	/nfs/dbraw/zinc/44/80/96/373448096.db2.gz	CHWUAEWQULCAPF-UHFFFAOYSA-N	2	0	301.391	-1.704	20	0		DAADRP
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC000627191168	373455171	/nfs/dbraw/zinc/45/51/71/373455171.db2.gz	KNQCBRWAZLXDGU-GFCCVEGCSA-N	2	0	315.418	-1.364	20	0		DAADRP
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H]1COCC[NH2+]1	ZINC000627191169	373455466	/nfs/dbraw/zinc/45/54/66/373455466.db2.gz	KNQCBRWAZLXDGU-LBPRGKRZSA-N	2	0	315.418	-1.364	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)CC1=O	ZINC000152722736	373513700	/nfs/dbraw/zinc/51/37/00/373513700.db2.gz	GVOISBDZHXEOEK-IUODEOHRSA-N	2	0	314.430	-1.175	20	0		DAADRP
COC[C@]1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC[NH2+]C1	ZINC000564796404	373515571	/nfs/dbraw/zinc/51/55/71/373515571.db2.gz	GAXHIKDIWXSVEG-WFASDCNBSA-N	2	0	312.414	-1.074	20	0		DAADRP
C[C@H](C[NH3+])CNC(=O)C[C@]1(C(=O)NC[C@@H](C)C[NH3+])CC[NH2+]C1	ZINC000578750630	373583722	/nfs/dbraw/zinc/58/37/22/373583722.db2.gz	UQTFIMNUCFHLIO-TYNCELHUSA-N	3	0	313.446	-1.222	20	0		DAADRP
CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1CC[NH2+]C1	ZINC000579974002	373596914	/nfs/dbraw/zinc/59/69/14/373596914.db2.gz	SHUXXTGMDUIDNB-LBPRGKRZSA-N	2	0	300.403	-1.061	20	0		DAADRP
CC[NH+]1CCC(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1	ZINC000578884364	373586199	/nfs/dbraw/zinc/58/61/99/373586199.db2.gz	LMIKOTFGWYIIKS-UONOGXRCSA-N	2	0	323.441	-1.169	20	0		DAADRP
CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+]	ZINC000568235193	373541869	/nfs/dbraw/zinc/54/18/69/373541869.db2.gz	JPUJRKFCQLNKQI-CYBMUJFWSA-N	2	0	313.446	-1.064	20	0		DAADRP
CC[NH+]1CCN(CCC(=O)NCC(=O)N2CC[NH2+]CC2)CC1	ZINC000572963652	373551036	/nfs/dbraw/zinc/55/10/36/373551036.db2.gz	KRQAKCADFRIDCP-UHFFFAOYSA-N	2	0	311.430	-1.438	20	0		DAADRP
C[NH2+]CCN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000574269033	373559724	/nfs/dbraw/zinc/55/97/24/373559724.db2.gz	YRIIXVKKJVVCTI-UHFFFAOYSA-N	3	0	301.435	-1.384	20	0		DAADRP
NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1	ZINC000574452542	373560711	/nfs/dbraw/zinc/56/07/11/373560711.db2.gz	BRCKSQXHUBIJEO-LLVKDONJSA-N	2	0	304.416	-1.439	20	0		DAADRP
CC[NH+]1CCN(CC(=O)N[C@H](C)C(=O)NCC[NH+](C)C)CC1	ZINC000574768111	373561190	/nfs/dbraw/zinc/56/11/90/373561190.db2.gz	IYDLIBMAXVSOED-CYBMUJFWSA-N	2	0	313.446	-1.194	20	0		DAADRP
CCOC(=O)C[C@H](CO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1	ZINC000576943262	373570053	/nfs/dbraw/zinc/57/00/53/373570053.db2.gz	DEQDFDGNKBJQQQ-OLZOCXBDSA-N	2	0	303.403	-1.502	20	0		DAADRP
COCC[N@H+](C)C[C@@H](O)CN1CCC(O)(C(=O)OC)CC1	ZINC000576714105	373570233	/nfs/dbraw/zinc/57/02/33/373570233.db2.gz	MRDOOOWHUFNJSQ-GFCCVEGCSA-N	2	0	304.387	-1.075	20	0		DAADRP
C[C@H]1COCCN1CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1	ZINC000580552846	373570706	/nfs/dbraw/zinc/57/07/06/373570706.db2.gz	CCRUKTMSNAOUFN-GJZGRUSLSA-N	2	0	300.447	-1.095	20	0		DAADRP
COCC[N@H+](C)C[C@H](O)CN1CCC(O)(C(=O)OC)CC1	ZINC000576714111	373571433	/nfs/dbraw/zinc/57/14/33/373571433.db2.gz	MRDOOOWHUFNJSQ-LBPRGKRZSA-N	2	0	304.387	-1.075	20	0		DAADRP
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1	ZINC000577047953	373575131	/nfs/dbraw/zinc/57/51/31/373575131.db2.gz	ACYSOFVYANFYQG-CQSZACIVSA-N	2	0	323.441	-1.297	20	0		DAADRP
CC[NH+]1CCC(NC(=O)C(=O)NCCOCC[NH2+]C)CC1	ZINC000627292858	373632010	/nfs/dbraw/zinc/63/20/10/373632010.db2.gz	GDNOQVFKXXIAMW-UHFFFAOYSA-N	2	0	300.403	-1.061	20	0		DAADRP
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@H+](C)CCOC	ZINC000627353337	373658070	/nfs/dbraw/zinc/65/80/70/373658070.db2.gz	ZLWFUHUTIPMXTA-NWDGAFQWSA-N	2	0	300.403	-1.063	20	0		DAADRP
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C	ZINC000627312702	373643827	/nfs/dbraw/zinc/64/38/27/373643827.db2.gz	GIQVCLDUAUDIPR-FRRDWIJNSA-N	2	0	311.430	-1.395	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2	ZINC000627313255	373644564	/nfs/dbraw/zinc/64/45/64/373644564.db2.gz	ZXURNWBOBASUJO-OLZOCXBDSA-N	2	0	323.441	-1.251	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1	ZINC000621839287	373649376	/nfs/dbraw/zinc/64/93/76/373649376.db2.gz	QNJMUNDZEXXMMU-WOSRLPQWSA-N	2	0	323.441	-1.312	20	0		DAADRP
C[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1	ZINC000627331836	373649607	/nfs/dbraw/zinc/64/96/07/373649607.db2.gz	JMADSAGUKFEWBC-ZDUSSCGKSA-N	2	0	312.414	-1.061	20	0		DAADRP
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC000627349672	373655153	/nfs/dbraw/zinc/65/51/53/373655153.db2.gz	VVLVGOCLHQWPQO-WZRBSPASSA-N	2	0	310.398	-1.310	20	0		DAADRP
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC000627349670	373655857	/nfs/dbraw/zinc/65/58/57/373655857.db2.gz	VVLVGOCLHQWPQO-NQBHXWOUSA-N	2	0	310.398	-1.310	20	0		DAADRP
C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CCO1	ZINC000581653035	373602341	/nfs/dbraw/zinc/60/23/41/373602341.db2.gz	CKUMHGCBVFAIHP-MELADBBJSA-N	2	0	324.425	-1.062	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000627349262	373655998	/nfs/dbraw/zinc/65/59/98/373655998.db2.gz	HZVGQJTXMAYYLL-DGCLKSJQSA-N	2	0	312.414	-1.063	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000627349263	373656221	/nfs/dbraw/zinc/65/62/21/373656221.db2.gz	HZVGQJTXMAYYLL-WCQYABFASA-N	2	0	312.414	-1.063	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000627349261	373656844	/nfs/dbraw/zinc/65/68/44/373656844.db2.gz	HZVGQJTXMAYYLL-AAEUAGOBSA-N	2	0	312.414	-1.063	20	0		DAADRP
C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1	ZINC000627357847	373670696	/nfs/dbraw/zinc/67/06/96/373670696.db2.gz	SFLKSILMRYXMJG-OLZOCXBDSA-N	2	0	312.414	-1.061	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C	ZINC000627461808	373677483	/nfs/dbraw/zinc/67/74/83/373677483.db2.gz	ZVNBJIOSVLMLHB-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1	ZINC000627461402	373677781	/nfs/dbraw/zinc/67/77/81/373677781.db2.gz	OKQYXQBMHYPOJY-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N(C)CC[NH+]1CCCC1	ZINC000627463556	373679635	/nfs/dbraw/zinc/67/96/35/373679635.db2.gz	AVVBTTOWJJVRND-UHFFFAOYSA-N	2	0	300.403	-1.107	20	0		DAADRP
CC[N@@H+]1CCCN(C(=O)C(=O)NCCOCC[NH2+]C)CC1	ZINC000627464241	373679925	/nfs/dbraw/zinc/67/99/25/373679925.db2.gz	VLURXVZTEVOGON-UHFFFAOYSA-N	2	0	300.403	-1.107	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC000627470109	373682070	/nfs/dbraw/zinc/68/20/70/373682070.db2.gz	LOOSBYRNMVHDHX-LBPRGKRZSA-N	2	0	316.402	-1.872	20	0		DAADRP
CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1	ZINC000627473378	373682475	/nfs/dbraw/zinc/68/24/75/373682475.db2.gz	MHOKKXJJHSWCPJ-STQMWFEESA-N	2	0	312.414	-1.109	20	0		DAADRP
CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1	ZINC000627475678	373683830	/nfs/dbraw/zinc/68/38/30/373683830.db2.gz	RYDBCKSIWMXRKY-STQMWFEESA-N	2	0	312.414	-1.061	20	0		DAADRP
CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC000627474336	373684633	/nfs/dbraw/zinc/68/46/33/373684633.db2.gz	LUOQMFNBRPPHJB-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[NH2+]1	ZINC000627476480	373684676	/nfs/dbraw/zinc/68/46/76/373684676.db2.gz	GBUAMHWEPBHBMK-MROQNXINSA-N	2	0	310.398	-1.480	20	0		DAADRP
CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCN(C)C[C@H]1C[NH3+]	ZINC000631907162	373697958	/nfs/dbraw/zinc/69/79/58/373697958.db2.gz	FDDHJRUBMHXARR-GFCCVEGCSA-N	2	0	305.448	-1.510	20	0		DAADRP
C[C@@H]1C[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1C[NH3+]	ZINC000631840736	373698840	/nfs/dbraw/zinc/69/88/40/373698840.db2.gz	VBDGWOWOPPYJPJ-GHMZBOCLSA-N	2	0	320.397	-1.040	20	0		DAADRP
COCCC[N@H+](C)CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1	ZINC000631923557	373701972	/nfs/dbraw/zinc/70/19/72/373701972.db2.gz	VZOQWMAGZPICHK-GFCCVEGCSA-N	2	0	309.432	-1.138	20	0		DAADRP
CN(CCOCC[NH3+])S(=O)(=O)CCCN1CC[NH+](C)CC1	ZINC000631955845	373702754	/nfs/dbraw/zinc/70/27/54/373702754.db2.gz	QAFZMQHIMXEPAF-UHFFFAOYSA-N	2	0	322.475	-1.139	20	0		DAADRP
CCO[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C[C@H]1C[NH3+]	ZINC000631947735	373703511	/nfs/dbraw/zinc/70/35/11/373703511.db2.gz	LGQQWWQFFATPAL-IJLUTSLNSA-N	2	0	307.416	-1.400	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H]1C[NH3+]	ZINC000633111445	373730728	/nfs/dbraw/zinc/73/07/28/373730728.db2.gz	QDQSIMYCYDUQEX-FVCCEPFGSA-N	2	0	310.398	-1.683	20	0		DAADRP
CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000649365962	545803155	/nfs/dbraw/zinc/80/31/55/545803155.db2.gz	AAFGZQQLFFMEHU-CHWSQXEVSA-N	2	0	311.430	-1.584	20	0		DAADRP
[NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656102968	545815451	/nfs/dbraw/zinc/81/54/51/545815451.db2.gz	RMZNBPYTJMUURU-FRRDWIJNSA-N	2	0	310.398	-1.396	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC000627393707	545828475	/nfs/dbraw/zinc/82/84/75/545828475.db2.gz	IFSKUTYDMLUTQJ-LLVKDONJSA-N	2	0	302.375	-2.215	20	0		DAADRP
C[C@H]1CC[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)C[NH2+]1	ZINC000627394129	545828826	/nfs/dbraw/zinc/82/88/26/545828826.db2.gz	XWRUYKMAFFAZST-RYUDHWBXSA-N	2	0	300.403	-1.063	20	0		DAADRP
NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1	ZINC000653114777	409328548	/nfs/dbraw/zinc/32/85/48/409328548.db2.gz	WGLFCCFVSOAYFE-XEZPLFJOSA-N	2	0	324.425	-1.074	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]CC1)NCCN1CCOCC1	ZINC000653112571	409329316	/nfs/dbraw/zinc/32/93/16/409329316.db2.gz	BOHDVVVBDMKDSE-CYBMUJFWSA-N	2	0	312.414	-1.059	20	0		DAADRP
[NH3+][C@@H]1CCCCN(CC(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)C1=O	ZINC000648136025	409321753	/nfs/dbraw/zinc/32/17/53/409321753.db2.gz	LVORBKZJWGNHJB-AGIUHOORSA-N	2	0	310.398	-1.085	20	0		DAADRP
CNS(=O)(=O)[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1	ZINC000647885647	409400567	/nfs/dbraw/zinc/40/05/67/409400567.db2.gz	AQRMNMMUJYSSFF-GFCCVEGCSA-N	2	0	318.443	-1.178	20	0		DAADRP
CS(=O)(=O)N[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1	ZINC000647877615	409400719	/nfs/dbraw/zinc/40/07/19/409400719.db2.gz	WZRFFVCPYAAZHR-LBPRGKRZSA-N	2	0	318.443	-1.178	20	0		DAADRP
CCO[C@@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C[C@H]1C[NH3+]	ZINC000653247835	409339727	/nfs/dbraw/zinc/33/97/27/409339727.db2.gz	TYMYUXVBZZJHDU-WZRBSPASSA-N	2	0	300.403	-1.092	20	0		DAADRP
CCN1C(=O)[C@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)CCN2C1=O	ZINC000647891556	409402162	/nfs/dbraw/zinc/40/21/62/409402162.db2.gz	PVUGWONISFOYJK-GFCCVEGCSA-N	2	0	323.397	-1.223	20	0		DAADRP
CO[C@H]1C[C@@H](C(=O)NCCC(=O)N2CCN(C)CC2)[N@H+](C)C1	ZINC000330589135	409421980	/nfs/dbraw/zinc/42/19/80/409421980.db2.gz	ZIYDKDONTWSBHB-STQMWFEESA-N	2	0	312.414	-1.014	20	0		DAADRP
C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CCN1CCCS1(=O)=O	ZINC000647995282	409427040	/nfs/dbraw/zinc/42/70/40/409427040.db2.gz	LRNHJUAJPBSRCU-UHFFFAOYSA-N	2	0	318.443	-1.224	20	0		DAADRP
CCN1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1	ZINC000347973344	409449145	/nfs/dbraw/zinc/44/91/45/409449145.db2.gz	UGWHIUHBOGJUDS-CYBMUJFWSA-N	2	0	311.430	-1.488	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1	ZINC000354695856	409480628	/nfs/dbraw/zinc/48/06/28/409480628.db2.gz	RUOJAOQFZIZDSP-GFCCVEGCSA-N	2	0	300.403	-1.061	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1	ZINC000355151329	409482531	/nfs/dbraw/zinc/48/25/31/409482531.db2.gz	SUXKXFXOIIZJLO-TZMCWYRMSA-N	2	0	323.441	-1.299	20	0		DAADRP
C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C	ZINC000355302976	409483311	/nfs/dbraw/zinc/48/33/11/409483311.db2.gz	WJFUPJGWFHHDRD-OLZOCXBDSA-N	2	0	313.446	-1.195	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCC[NH2+]1	ZINC000515048636	409557928	/nfs/dbraw/zinc/55/79/28/409557928.db2.gz	LKLSDZGCLCUYQS-CYBMUJFWSA-N	3	0	313.446	-1.194	20	0		DAADRP
CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1	ZINC000430643328	409567468	/nfs/dbraw/zinc/56/74/68/409567468.db2.gz	XFNFNPGJJBBQHJ-LLVKDONJSA-N	2	0	306.432	-1.287	20	0		DAADRP
C[C@]1(C(N)=O)CC[NH+](CC(O)C[N@H+]2CC[C@](C)(C(N)=O)C2)C1	ZINC000361556031	409511070	/nfs/dbraw/zinc/51/10/70/409511070.db2.gz	DTAZAAUUSUNNGZ-GJZGRUSLSA-N	2	0	312.414	-1.258	20	0		DAADRP
CCN1CCOC[C@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1	ZINC000373216270	409513884	/nfs/dbraw/zinc/51/38/84/409513884.db2.gz	MUXLIAJYVASTRE-ZDUSSCGKSA-N	2	0	312.414	-1.061	20	0		DAADRP
COCCC[N@H+](C)CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000659698372	409519722	/nfs/dbraw/zinc/51/97/22/409519722.db2.gz	KATVRQCXZNKSIV-UHFFFAOYSA-N	2	0	312.414	-1.061	20	0		DAADRP
C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC	ZINC000659700933	409526662	/nfs/dbraw/zinc/52/66/62/409526662.db2.gz	XBGABOBWUMABPD-RYUDHWBXSA-N	2	0	300.403	-1.063	20	0		DAADRP
C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC	ZINC000659700925	409527181	/nfs/dbraw/zinc/52/71/81/409527181.db2.gz	XBGABOBWUMABPD-NWDGAFQWSA-N	2	0	300.403	-1.063	20	0		DAADRP
[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1	ZINC000653047535	409532226	/nfs/dbraw/zinc/53/22/26/409532226.db2.gz	WSVJEQJFZKDQSX-XUJVJEKNSA-N	2	0	310.398	-1.464	20	0		DAADRP
[NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1	ZINC000653047534	409532445	/nfs/dbraw/zinc/53/24/45/409532445.db2.gz	WSVJEQJFZKDQSX-HUBLWGQQSA-N	2	0	310.398	-1.464	20	0		DAADRP
CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1	ZINC000659738184	409533752	/nfs/dbraw/zinc/53/37/52/409533752.db2.gz	BEQLPUSKJBSGLM-QWHCGFSZSA-N	2	0	311.430	-1.312	20	0		DAADRP
COCC[NH2+]CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000514937152	409552188	/nfs/dbraw/zinc/55/21/88/409552188.db2.gz	JNBJROGTUOESAU-CYBMUJFWSA-N	2	0	312.414	-1.107	20	0		DAADRP
COCC[N@H+](C)C[C@H](O)CN1CCN(CC[NH+](C)C)C(=O)C1	ZINC000653778303	409623573	/nfs/dbraw/zinc/62/35/73/409623573.db2.gz	SFOOPEQXOCVCMP-AWEZNQCLSA-N	2	0	316.446	-1.369	20	0		DAADRP
COCC[N@H+](C)C[C@@H](O)CN1CCN(CC[NH+](C)C)C(=O)C1	ZINC000653778304	409625345	/nfs/dbraw/zinc/62/53/45/409625345.db2.gz	SFOOPEQXOCVCMP-CQSZACIVSA-N	2	0	316.446	-1.369	20	0		DAADRP
CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C1	ZINC000659711383	409694425	/nfs/dbraw/zinc/69/44/25/409694425.db2.gz	XMAQBJCIDRMQJI-CYBMUJFWSA-N	2	0	311.430	-1.392	20	0		DAADRP
[NH3+]C1(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCCC1	ZINC000659736161	409696507	/nfs/dbraw/zinc/69/65/07/409696507.db2.gz	ZOUNOGYYKFYMEG-NWDGAFQWSA-N	2	0	310.398	-1.349	20	0		DAADRP
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)C1	ZINC000659731503	409697193	/nfs/dbraw/zinc/69/71/93/409697193.db2.gz	KTYJMACHAKPSNA-UONOGXRCSA-N	2	0	323.441	-1.297	20	0		DAADRP
C[C@@H](C[NH3+])CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000529331702	409642404	/nfs/dbraw/zinc/64/24/04/409642404.db2.gz	BRMUMZBEIWHBST-LBPRGKRZSA-N	2	0	312.418	-1.066	20	0		DAADRP
[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1	ZINC000529387731	409648487	/nfs/dbraw/zinc/64/84/87/409648487.db2.gz	LWLGOTHEHCRZGG-VXGBXAGGSA-N	2	0	313.402	-1.529	20	0		DAADRP
C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CCO1	ZINC000649274888	409654341	/nfs/dbraw/zinc/65/43/41/409654341.db2.gz	ZEPXENDVACGBQY-AVGNSLFASA-N	2	0	312.414	-1.029	20	0		DAADRP
C[C@@H](C[NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000581538785	409666589	/nfs/dbraw/zinc/66/65/89/409666589.db2.gz	LIWTXGKRGSGPCK-LBPRGKRZSA-N	3	0	301.435	-1.351	20	0		DAADRP
C[NH2+]C[C@H](C)NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000659688646	409689600	/nfs/dbraw/zinc/68/96/00/409689600.db2.gz	DPTJCNWLWHWTCJ-LBPRGKRZSA-N	2	0	313.446	-1.147	20	0		DAADRP
COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1	ZINC000659707281	409689703	/nfs/dbraw/zinc/68/97/03/409689703.db2.gz	UFPUTBYTLGTGPK-IJLUTSLNSA-N	2	0	316.377	-1.279	20	0		DAADRP
C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000659709750	409689853	/nfs/dbraw/zinc/68/98/53/409689853.db2.gz	LNSLBWDCNHTDHE-OLZOCXBDSA-N	2	0	313.446	-1.290	20	0		DAADRP
C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000659709753	409690025	/nfs/dbraw/zinc/69/00/25/409690025.db2.gz	LNSLBWDCNHTDHE-STQMWFEESA-N	2	0	313.446	-1.290	20	0		DAADRP
C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C3)C2)CC1	ZINC000659682656	409690335	/nfs/dbraw/zinc/69/03/35/409690335.db2.gz	MVZQYYQAEFHURS-STQMWFEESA-N	2	0	323.441	-1.251	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1	ZINC000659695704	409690483	/nfs/dbraw/zinc/69/04/83/409690483.db2.gz	DBJPZVZJUGLBPB-GHMZBOCLSA-N	2	0	304.366	-1.422	20	0		DAADRP
C[NH2+]C[C@H](C)NC(=O)C[C@]1(C(=O)N[C@@H](C)C[NH2+]C)CC[NH2+]C1	ZINC000662965228	409721736	/nfs/dbraw/zinc/72/17/36/409721736.db2.gz	INCLULCWYYXVAT-SLEUVZQESA-N	3	0	313.446	-1.196	20	0		DAADRP
C[NH2+]C[C@H](C)NC(=O)C[C@@]1(C(=O)N[C@@H](C)C[NH2+]C)CC[NH2+]C1	ZINC000662965227	409721895	/nfs/dbraw/zinc/72/18/95/409721895.db2.gz	INCLULCWYYXVAT-HUBLWGQQSA-N	3	0	313.446	-1.196	20	0		DAADRP
Nc1nc(-n2cccn2)cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)[nH+]1	ZINC000581677714	409811302	/nfs/dbraw/zinc/81/13/02/409811302.db2.gz	LALHJFWNKQEMKJ-ZJUUUORDSA-N	2	0	314.353	-1.007	20	0		DAADRP
COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1	ZINC001193766829	782016008	/nfs/dbraw/zinc/01/60/08/782016008.db2.gz	YUQRVYWFUNFSSL-YNEHKIRRSA-N	2	0	315.414	-1.361	20	0		DAADRP
CC[C@H](C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1O)[NH+](C)C	ZINC001194095804	782028683	/nfs/dbraw/zinc/02/86/83/782028683.db2.gz	RDGSAXKRDXQRSG-FDYHWXHSSA-N	2	0	303.403	-1.505	20	0		DAADRP
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@H]1O	ZINC001194244030	782032040	/nfs/dbraw/zinc/03/20/40/782032040.db2.gz	IDTDPDUNAYLFHD-YNEHKIRRSA-N	2	0	317.430	-1.115	20	0		DAADRP
O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCCN1CC[NH2+]CC1	ZINC000517563073	262657534	/nfs/dbraw/zinc/65/75/34/262657534.db2.gz	GEZPGFVRHDJVGR-CYBMUJFWSA-N	2	0	311.430	-1.344	20	0		DAADRP
CC(C)(C(N)=O)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1	ZINC000408032986	263218154	/nfs/dbraw/zinc/21/81/54/263218154.db2.gz	GEBUHROYLARUDI-CYBMUJFWSA-N	2	0	323.441	-1.216	20	0		DAADRP
COC(=O)CN(CCN1CCOCC1)C(=O)COC1C[NH2+]C1	ZINC000423759940	263230274	/nfs/dbraw/zinc/23/02/74/263230274.db2.gz	PKAXHPLGVDNYRT-UHFFFAOYSA-N	2	0	315.370	-1.691	20	0		DAADRP
O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000342738997	263238962	/nfs/dbraw/zinc/23/89/62/263238962.db2.gz	OVWFNOCEGWBUSG-ZIAGYGMSSA-N	2	0	324.425	-1.107	20	0		DAADRP
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1	ZINC000332177284	263240722	/nfs/dbraw/zinc/24/07/22/263240722.db2.gz	UNBSZZOMEDOLEU-UPJWGTAASA-N	2	0	310.398	-1.214	20	0		DAADRP
C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC[N@H+](C)CCOC	ZINC000419365425	263242804	/nfs/dbraw/zinc/24/28/04/263242804.db2.gz	XKSBLMQYJGEOPS-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
O=C(N1CC(S(=O)(=O)N2CCNCC2)C1)[C@]12C[C@H]1CC[NH2+]2	ZINC000424037841	263244648	/nfs/dbraw/zinc/24/46/48/263244648.db2.gz	HOHXTTBTGCYETM-MFKMUULPSA-N	2	0	314.411	-1.816	20	0		DAADRP
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCN1CCOC[C@H]1C	ZINC000420120276	263247609	/nfs/dbraw/zinc/24/76/09/263247609.db2.gz	OIAFWDDYEKVZNF-UPJWGTAASA-N	2	0	312.414	-1.063	20	0		DAADRP
CN(C)C(=O)CN1CCN(C(=O)CN2CC[C@@H](C[NH3+])C2)CC1	ZINC000430965853	263250345	/nfs/dbraw/zinc/25/03/45/263250345.db2.gz	LMQBVBREUVQFLU-ZDUSSCGKSA-N	2	0	311.430	-1.501	20	0		DAADRP
C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1	ZINC000357927460	263254831	/nfs/dbraw/zinc/25/48/31/263254831.db2.gz	LBWFHWACLBXUEH-RAIGVLPGSA-N	2	0	310.398	-1.480	20	0		DAADRP
[NH3+]CC(=O)NCC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000347656880	263256230	/nfs/dbraw/zinc/25/62/30/263256230.db2.gz	WEWPAKSVHRNFHM-UHFFFAOYSA-N	2	0	311.386	-2.172	20	0		DAADRP
C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1	ZINC000419987635	263260038	/nfs/dbraw/zinc/26/00/38/263260038.db2.gz	YOQOAUONHRUTDV-AVGNSLFASA-N	2	0	314.430	-1.128	20	0		DAADRP
CN(CCCS(=O)(=O)N(C)C)CC(=O)N1CC[NH2+]CC1	ZINC000430604097	263261942	/nfs/dbraw/zinc/26/19/42/263261942.db2.gz	LYBJYSAHERAXCX-UHFFFAOYSA-N	2	0	306.432	-1.369	20	0		DAADRP
C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000124328489	263280981	/nfs/dbraw/zinc/28/09/81/263280981.db2.gz	AVSURQJHYLDZQM-KGLIPLIRSA-N	2	0	324.425	-1.013	20	0		DAADRP
NC(=O)NC(=O)CC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000430615788	263282639	/nfs/dbraw/zinc/28/26/39/263282639.db2.gz	DCRDFJJVBISMCK-NSHDSACASA-N	2	0	311.386	-1.285	20	0		DAADRP
C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C	ZINC000355302978	263289428	/nfs/dbraw/zinc/28/94/28/263289428.db2.gz	WJFUPJGWFHHDRD-STQMWFEESA-N	2	0	313.446	-1.195	20	0		DAADRP
CNc1nc(N[C@@H](C)C[NH+](C)C)nc(N[C@@H](C)C[NH+](C)C)n1	ZINC000343807439	263297064	/nfs/dbraw/zinc/29/70/64/263297064.db2.gz	OFKKWZXIRFGYSK-QWRGUYRKSA-N	2	0	310.450	-1.097	20	0		DAADRP
CCOCCN1CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC1	ZINC000419945703	263297188	/nfs/dbraw/zinc/29/71/88/263297188.db2.gz	CZXWDSVVTUIGRG-LBPRGKRZSA-N	2	0	300.403	-1.122	20	0		DAADRP
C[NH+](CCOCC[N@@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O	ZINC000512169326	263300299	/nfs/dbraw/zinc/30/02/99/263300299.db2.gz	XCKIXSRNFPTLRU-AAVRWANBSA-N	2	0	304.387	-1.614	20	0		DAADRP
CN1CCO[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)C[C@@H]21	ZINC000329937813	263300715	/nfs/dbraw/zinc/30/07/15/263300715.db2.gz	SEJVMGNXVONTKQ-HZSPNIEDSA-N	2	0	324.425	-1.062	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCOCC1	ZINC000517015724	263312060	/nfs/dbraw/zinc/31/20/60/263312060.db2.gz	DSGCPLBMPNIZNP-UHFFFAOYSA-N	2	0	300.403	-1.203	20	0		DAADRP
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1	ZINC000357930966	263312880	/nfs/dbraw/zinc/31/28/80/263312880.db2.gz	WCFORBFNTCSUGC-UPJWGTAASA-N	2	0	312.414	-1.232	20	0		DAADRP
CC[NH+]1CCN(CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1	ZINC000351517840	263314548	/nfs/dbraw/zinc/31/45/48/263314548.db2.gz	BGDMPPNYBAKAPO-CYBMUJFWSA-N	2	0	311.430	-1.392	20	0		DAADRP
C[NH2+][C@H](C)CNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1	ZINC000331954480	263314896	/nfs/dbraw/zinc/31/48/96/263314896.db2.gz	INRDGDVVAZMFAJ-SNVBAGLBSA-N	2	0	319.431	-1.777	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C	ZINC000419352000	263319642	/nfs/dbraw/zinc/31/96/42/263319642.db2.gz	IGRLPCFVIDQCAN-NEPJUHHUSA-N	2	0	300.403	-1.124	20	0		DAADRP
C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(CC(C)(C)O)CC1	ZINC000419925724	263322938	/nfs/dbraw/zinc/32/29/38/263322938.db2.gz	AKORVKZSLWOTBF-GFCCVEGCSA-N	2	0	314.430	-1.127	20	0		DAADRP
[NH3+]CCN(CCO)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1	ZINC000419721353	263325017	/nfs/dbraw/zinc/32/50/17/263325017.db2.gz	GWYTZNLYINARAY-CYBMUJFWSA-N	2	0	312.414	-1.101	20	0		DAADRP
COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1	ZINC001195701914	782076328	/nfs/dbraw/zinc/07/63/28/782076328.db2.gz	SYXKFLYFSKLWHQ-YNEHKIRRSA-N	2	0	303.403	-1.503	20	0		DAADRP
COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1	ZINC001195981291	782088681	/nfs/dbraw/zinc/08/86/81/782088681.db2.gz	SXODHOSFOBTYGD-REWJHTLYSA-N	2	0	317.430	-1.259	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CC[C@H](C(N)=O)O1	ZINC000584012746	331562363	/nfs/dbraw/zinc/56/23/63/331562363.db2.gz	ZDLSRODMUUEPEH-VXGBXAGGSA-N	2	0	300.403	-1.029	20	0		DAADRP
CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)CC(=O)N1CC[NH2+]CC1	ZINC000580075677	332930073	/nfs/dbraw/zinc/93/00/73/332930073.db2.gz	WXYJOLNBMYBAHA-ZDUSSCGKSA-N	2	0	313.402	-2.024	20	0		DAADRP
[NH3+][C@H]1C[C@@H]2CN(C(=O)NCCCN3CC[NH2+]CC3)CCN2C1=O	ZINC000566689251	332536719	/nfs/dbraw/zinc/53/67/19/332536719.db2.gz	MXFWRNDKTKYJIU-OLZOCXBDSA-N	2	0	324.429	-1.765	20	0		DAADRP
[NH3+][C@@H]1C[C@H]2CN(C(=O)NCCCN3CC[NH2+]CC3)CCN2C1=O	ZINC000566689320	332536830	/nfs/dbraw/zinc/53/68/30/332536830.db2.gz	MXFWRNDKTKYJIU-QWHCGFSZSA-N	2	0	324.429	-1.765	20	0		DAADRP
CC[NH+](CC)CCCNC(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000170368371	332633040	/nfs/dbraw/zinc/63/30/40/332633040.db2.gz	BESSUSQJYBURCI-UHFFFAOYSA-N	2	0	313.446	-1.144	20	0		DAADRP
C[C@H]([NH3+])[C@H]1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1	ZINC000582062815	333195994	/nfs/dbraw/zinc/19/59/94/333195994.db2.gz	BFUIUOASYHHGOJ-IUCAKERBSA-N	2	0	309.370	-1.482	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1	ZINC000582231683	336285973	/nfs/dbraw/zinc/28/59/73/336285973.db2.gz	IYROZVDOQYXWKH-LBPRGKRZSA-N	2	0	323.397	-2.161	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1	ZINC000582253065	336395445	/nfs/dbraw/zinc/39/54/45/336395445.db2.gz	BWXPXRJUZDSPBD-NWDGAFQWSA-N	2	0	313.402	-1.482	20	0		DAADRP
C[NH+](C)C1(CNC(=O)C(=O)N(CC[NH3+])CCO)CCCC1	ZINC000418837357	337422514	/nfs/dbraw/zinc/42/25/14/337422514.db2.gz	SNHPMTSMDNMRFC-UHFFFAOYSA-N	2	0	300.403	-1.243	20	0		DAADRP
Cn1ccnc1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000553194468	341419667	/nfs/dbraw/zinc/41/96/67/341419667.db2.gz	APRJHPRREFTSQX-UHFFFAOYSA-N	2	0	324.429	-1.012	20	0		DAADRP
COC[C@@]1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC[NH2+]C1	ZINC000564796402	341509925	/nfs/dbraw/zinc/50/99/25/341509925.db2.gz	GAXHIKDIWXSVEG-SWLSCSKDSA-N	2	0	312.414	-1.074	20	0		DAADRP
CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+]	ZINC000566091942	341547415	/nfs/dbraw/zinc/54/74/15/341547415.db2.gz	VLFDFFRUOGOVJO-CYBMUJFWSA-N	2	0	311.430	-1.358	20	0		DAADRP
CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O	ZINC001197493459	782134150	/nfs/dbraw/zinc/13/41/50/782134150.db2.gz	OCPZIDNTAHVONB-CHWSQXEVSA-N	2	0	303.403	-1.502	20	0		DAADRP
CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1	ZINC001197825782	782142554	/nfs/dbraw/zinc/14/25/54/782142554.db2.gz	IJCNBYMZHHNHPN-YNEHKIRRSA-N	2	0	303.403	-1.239	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1	ZINC000672004379	545656800	/nfs/dbraw/zinc/65/68/00/545656800.db2.gz	BLGCQCUDLQJZRX-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
CN(C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[C@H]1C[NH2+]C[C@@H]1O	ZINC000332090786	545729922	/nfs/dbraw/zinc/72/99/22/545729922.db2.gz	BDZJBZWDDGMGRC-MQYQWHSLSA-N	2	0	324.425	-1.280	20	0		DAADRP
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[C@H](O)C[NH2+]1	ZINC000357930969	545738390	/nfs/dbraw/zinc/73/83/90/545738390.db2.gz	WCFORBFNTCSUGC-XQQFMLRXSA-N	2	0	312.414	-1.232	20	0		DAADRP
CC1=CC[N@H+](CCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1	ZINC000419231350	545766403	/nfs/dbraw/zinc/76/64/03/545766403.db2.gz	ZOMFYLXNTKSRNN-CYBMUJFWSA-N	2	0	310.398	-1.059	20	0		DAADRP
C[C@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)[C@@H](C)C[NH2+]1	ZINC000419779583	545768608	/nfs/dbraw/zinc/76/86/08/545768608.db2.gz	PJOWHKREUAGUAM-RYUDHWBXSA-N	2	0	300.403	-1.110	20	0		DAADRP
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[C@@H]1COCC[NH2+]1	ZINC000659358270	545792775	/nfs/dbraw/zinc/79/27/75/545792775.db2.gz	HSQJPYTUZNCLHU-GFCCVEGCSA-N	2	0	300.403	-1.157	20	0		DAADRP
CN1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@@H](C[NH3+])C1	ZINC000162668440	545799132	/nfs/dbraw/zinc/79/91/32/545799132.db2.gz	JOWFQSYTEPHJHI-NSHDSACASA-N	2	0	316.365	-1.107	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000649321291	545801136	/nfs/dbraw/zinc/80/11/36/545801136.db2.gz	SHJDLZWTVKLPKX-MJBXVCDLSA-N	2	0	324.425	-1.088	20	0		DAADRP
C[C@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CCC[NH2+]C1	ZINC000656019593	545810050	/nfs/dbraw/zinc/81/00/50/545810050.db2.gz	HCGJACPQIWQMBF-RFQIPJPRSA-N	2	0	324.425	-1.232	20	0		DAADRP
C[C@]1(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCC[NH2+]C1	ZINC000656023726	545810786	/nfs/dbraw/zinc/81/07/86/545810786.db2.gz	DGMXGUOOAGUMEE-ZENOOKHLSA-N	2	0	324.425	-1.230	20	0		DAADRP
C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656025329	545811503	/nfs/dbraw/zinc/81/15/03/545811503.db2.gz	HFZZPDAHOUCJCB-RVMXOQNASA-N	2	0	310.398	-1.622	20	0		DAADRP
C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656025330	545812036	/nfs/dbraw/zinc/81/20/36/545812036.db2.gz	HFZZPDAHOUCJCB-WUHRBBMRSA-N	2	0	310.398	-1.622	20	0		DAADRP
C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC000656068986	545812752	/nfs/dbraw/zinc/81/27/52/545812752.db2.gz	MPVOOGCXBMVMDQ-HZSPNIEDSA-N	2	0	324.425	-1.184	20	0		DAADRP
CN1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@H](C[NH3+])C1	ZINC000656039826	545813828	/nfs/dbraw/zinc/81/38/28/545813828.db2.gz	IHLHUFFPWNNBJZ-FRRDWIJNSA-N	2	0	311.430	-1.456	20	0		DAADRP
CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1	ZINC000656085726	545814703	/nfs/dbraw/zinc/81/47/03/545814703.db2.gz	MEJYREKPKJSWLV-HZSPNIEDSA-N	2	0	324.425	-1.184	20	0		DAADRP
CCCN(C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@H]1CC[NH2+]C1	ZINC000656105254	545814765	/nfs/dbraw/zinc/81/47/65/545814765.db2.gz	ZWKHLGZTUCYCEQ-MELADBBJSA-N	2	0	324.425	-1.136	20	0		DAADRP
C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656101977	545816032	/nfs/dbraw/zinc/81/60/32/545816032.db2.gz	AGAOUAMHVIAODQ-RWMBFGLXSA-N	2	0	310.398	-1.526	20	0		DAADRP
C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC000656104266	545816981	/nfs/dbraw/zinc/81/69/81/545816981.db2.gz	MNACRJKFURLCIR-YIYPIFLZSA-N	2	0	324.425	-1.150	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@@H](C)C[NH2+]1	ZINC000656104002	545817085	/nfs/dbraw/zinc/81/70/85/545817085.db2.gz	FMHKSBYTPLTJQD-MROQNXINSA-N	2	0	310.398	-1.527	20	0		DAADRP
[NH3+]CC1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1	ZINC000656104036	545817353	/nfs/dbraw/zinc/81/73/53/545817353.db2.gz	GEEAHJYZIOHJLN-QWHCGFSZSA-N	2	0	310.398	-1.539	20	0		DAADRP
[NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCO1	ZINC000656104288	545817470	/nfs/dbraw/zinc/81/74/70/545817470.db2.gz	MXAOHZBFOIRBNV-QJPTWQEYSA-N	2	0	312.370	-2.550	20	0		DAADRP
[NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCO1	ZINC000656104289	545817586	/nfs/dbraw/zinc/81/75/86/545817586.db2.gz	MXAOHZBFOIRBNV-TUAOUCFPSA-N	2	0	312.370	-2.550	20	0		DAADRP
O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656304066	545820506	/nfs/dbraw/zinc/82/05/06/545820506.db2.gz	PRUPLRDTEAMOFJ-KWCYVHTRSA-N	2	0	322.409	-1.383	20	0		DAADRP
O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000627398463	545830666	/nfs/dbraw/zinc/83/06/66/545830666.db2.gz	NJMQYRYXVQRCTF-FRRDWIJNSA-N	2	0	310.398	-1.166	20	0		DAADRP
CN1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1	ZINC000658902686	545835738	/nfs/dbraw/zinc/83/57/38/545835738.db2.gz	CUYTVDZOQZSXLO-CQSZACIVSA-N	2	0	324.425	-1.182	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000662907717	545839629	/nfs/dbraw/zinc/83/96/29/545839629.db2.gz	VZSGRANPXDBJOE-OLZOCXBDSA-N	2	0	309.414	-1.639	20	0		DAADRP
O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000662908134	545840033	/nfs/dbraw/zinc/84/00/33/545840033.db2.gz	ZEEOJLPRUBJLEP-ZIAGYGMSSA-N	2	0	323.441	-1.249	20	0		DAADRP
O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1C[N@@H+]2CCN1CCC2	ZINC000662907718	545840228	/nfs/dbraw/zinc/84/02/28/545840228.db2.gz	VZSGRANPXDBJOE-QWHCGFSZSA-N	2	0	309.414	-1.639	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1	ZINC000662929697	545842301	/nfs/dbraw/zinc/84/23/01/545842301.db2.gz	FPUGETNPILHONA-VXGBXAGGSA-N	2	0	318.393	-1.079	20	0		DAADRP
C[NH+](C)CCn1ccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)n1	ZINC000351553545	545849808	/nfs/dbraw/zinc/84/98/08/545849808.db2.gz	FGJZVROVDPKSET-NSHDSACASA-N	2	0	308.386	-0.749	20	0		DAADRP
Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1=O	ZINC001021047736	662349170	/nfs/dbraw/zinc/34/91/70/662349170.db2.gz	NBQVATXZRCGRIZ-GMTAPVOTSA-N	2	0	308.386	-1.203	20	0		DAADRP
O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1	ZINC000970717912	662368516	/nfs/dbraw/zinc/36/85/16/662368516.db2.gz	PBVPAVLOXMFZPY-GFCCVEGCSA-N	2	0	323.397	-1.176	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1	ZINC001021906367	662382830	/nfs/dbraw/zinc/38/28/30/662382830.db2.gz	LMZUHUSIQSGFPU-TUAOUCFPSA-N	2	0	323.397	-1.131	20	0		DAADRP
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000926337490	662397360	/nfs/dbraw/zinc/39/73/60/662397360.db2.gz	PXVLAOMBNJOZQE-ZIAGYGMSSA-N	2	0	323.441	-1.297	20	0		DAADRP
C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCNCC[NH2+]CC3)CC[C@H]21	ZINC000926398484	662403549	/nfs/dbraw/zinc/40/35/49/662403549.db2.gz	VSCRNOLMLDJZIV-UONOGXRCSA-N	2	0	323.441	-1.440	20	0		DAADRP
C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCNCC[NH2+]CC3)C2)C1	ZINC000926411129	662405855	/nfs/dbraw/zinc/40/58/55/662405855.db2.gz	UKIYWQOOZMEVHI-MRXNPFEDSA-N	2	0	323.441	-1.438	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1	ZINC001023086334	662428724	/nfs/dbraw/zinc/42/87/24/662428724.db2.gz	IKFRPBYQIFAGBT-YFKTTZPYSA-N	2	0	308.382	-1.020	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2)C1	ZINC001024411279	662473277	/nfs/dbraw/zinc/47/32/77/662473277.db2.gz	IGRFAECOUZXAFA-JHJVBQTASA-N	2	0	321.381	-1.335	20	0		DAADRP
O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000314238997	662533467	/nfs/dbraw/zinc/53/34/67/662533467.db2.gz	XCKWPLHGONRSRW-XQQFMLRXSA-N	2	0	319.427	-1.243	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)C1	ZINC001019772813	662535700	/nfs/dbraw/zinc/53/57/00/662535700.db2.gz	SHCRPFZIAVCKRL-KBPBESRZSA-N	2	0	324.425	-1.013	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1	ZINC001026145821	662542702	/nfs/dbraw/zinc/54/27/02/662542702.db2.gz	MGVOBBGWZXKKLF-BYNIDDHOSA-N	2	0	320.393	-1.210	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1	ZINC001026145824	662543117	/nfs/dbraw/zinc/54/31/17/662543117.db2.gz	MGVOBBGWZXKKLF-YCGPCKTQSA-N	2	0	320.393	-1.210	20	0		DAADRP
COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC000314133091	662618293	/nfs/dbraw/zinc/61/82/93/662618293.db2.gz	KOBXOWGHFKBJJH-CABCVRRESA-N	2	0	300.447	-1.095	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2C)CC1=O	ZINC000924984636	662692002	/nfs/dbraw/zinc/69/20/02/662692002.db2.gz	WTXYLFMMGHGWGR-JHJVBQTASA-N	2	0	312.414	-1.422	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2C)CC1=O	ZINC000924984635	662692152	/nfs/dbraw/zinc/69/21/52/662692152.db2.gz	WTXYLFMMGHGWGR-FRRDWIJNSA-N	2	0	312.414	-1.422	20	0		DAADRP
[NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1	ZINC000903713240	662790341	/nfs/dbraw/zinc/79/03/41/662790341.db2.gz	JEPPHIPVNSCITH-LBPRGKRZSA-N	2	0	318.443	-1.191	20	0		DAADRP
C[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H]1CS(N)(=O)=O	ZINC000903827168	662790620	/nfs/dbraw/zinc/79/06/20/662790620.db2.gz	POWXGOIOKJVKGS-NEPJUHHUSA-N	2	0	318.443	-1.335	20	0		DAADRP
CN1CCN(C(=O)C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)[C@@H](C[NH3+])C1	ZINC000904955908	662792351	/nfs/dbraw/zinc/79/23/51/662792351.db2.gz	IMTANUZZQOWKBX-WWGRRREGSA-N	2	0	323.441	-1.502	20	0		DAADRP
COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[NH+](C)C	ZINC000905012827	662793248	/nfs/dbraw/zinc/79/32/48/662793248.db2.gz	FBAVVRBVBHMCLD-GFCCVEGCSA-N	2	0	300.403	-1.157	20	0		DAADRP
[NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1	ZINC000904985344	662793428	/nfs/dbraw/zinc/79/34/28/662793428.db2.gz	ACFRJLTULFMHOJ-FRRDWIJNSA-N	2	0	310.398	-1.396	20	0		DAADRP
CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000904986065	662793736	/nfs/dbraw/zinc/79/37/36/662793736.db2.gz	FMOKXWLEDVZMLE-STQMWFEESA-N	2	0	312.414	-1.149	20	0		DAADRP
COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+](C)C	ZINC000904989454	662793750	/nfs/dbraw/zinc/79/37/50/662793750.db2.gz	YHXCZNFCKOWFTF-LBPRGKRZSA-N	2	0	300.403	-1.157	20	0		DAADRP
C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1	ZINC000904989645	662794060	/nfs/dbraw/zinc/79/40/60/662794060.db2.gz	MNJAKSQXIFSVQX-RDBSUJKOSA-N	2	0	324.425	-1.136	20	0		DAADRP
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CCNC(=O)CO	ZINC000906679698	662796278	/nfs/dbraw/zinc/79/62/78/662796278.db2.gz	YSSPXKASWMJEGW-UHFFFAOYSA-N	2	0	314.430	-1.031	20	0		DAADRP
CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1	ZINC000910964038	663135417	/nfs/dbraw/zinc/13/54/17/663135417.db2.gz	QUNMCHVPQAUVDQ-OAHLLOKOSA-N	2	0	312.414	-1.101	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C[C@H]1C[NH3+]	ZINC000911031346	663135610	/nfs/dbraw/zinc/13/56/10/663135610.db2.gz	POMUUQZIDNLGDW-UPJWGTAASA-N	2	0	311.430	-1.598	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+]	ZINC000911032390	663135681	/nfs/dbraw/zinc/13/56/81/663135681.db2.gz	UFBIFSXAVFARIA-ZENOOKHLSA-N	2	0	323.441	-1.312	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+]	ZINC000911032387	663135781	/nfs/dbraw/zinc/13/57/81/663135781.db2.gz	UFBIFSXAVFARIA-IOASZLSFSA-N	2	0	323.441	-1.312	20	0		DAADRP
C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCN1CCC([NH3+])CC1	ZINC000911071656	663136566	/nfs/dbraw/zinc/13/65/66/663136566.db2.gz	BSWUNSHMZDHIKK-LBPRGKRZSA-N	2	0	313.446	-1.018	20	0		DAADRP
[NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1	ZINC000911071927	663136750	/nfs/dbraw/zinc/13/67/50/663136750.db2.gz	DLXWJZYSAUKNCQ-XHDPSFHLSA-N	2	0	310.398	-1.349	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@H]1[NH3+]	ZINC000911147012	663137297	/nfs/dbraw/zinc/13/72/97/663137297.db2.gz	DQNWNVKABWAZLI-YVECIDJPSA-N	2	0	310.398	-1.229	20	0		DAADRP
C[C@H]1C[C@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)C[N@@H+]1C1CC1	ZINC000911147377	663137740	/nfs/dbraw/zinc/13/77/40/663137740.db2.gz	QKIVOJNSNVCHMH-STQMWFEESA-N	2	0	323.441	-1.251	20	0		DAADRP
C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000911148477	663137746	/nfs/dbraw/zinc/13/77/46/663137746.db2.gz	PESLKOBAYMIASG-RFGFWPKPSA-N	2	0	324.425	-1.063	20	0		DAADRP
O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2	ZINC000911147814	663137776	/nfs/dbraw/zinc/13/77/76/663137776.db2.gz	JQZFDONIBOBSID-QSLWVIQJSA-N	2	0	322.409	-1.025	20	0		DAADRP
[NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1	ZINC000911148934	663137847	/nfs/dbraw/zinc/13/78/47/663137847.db2.gz	SYSUEHMUCAEKTH-RWMBFGLXSA-N	2	0	310.398	-1.085	20	0		DAADRP
O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2	ZINC000911147813	663137867	/nfs/dbraw/zinc/13/78/67/663137867.db2.gz	JQZFDONIBOBSID-PEBLQZBPSA-N	2	0	322.409	-1.025	20	0		DAADRP
COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C	ZINC000911187283	663138090	/nfs/dbraw/zinc/13/80/90/663138090.db2.gz	NYNWXUHSDXOIEE-JHJVBQTASA-N	2	0	312.414	-1.063	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C	ZINC000911157403	663138227	/nfs/dbraw/zinc/13/82/27/663138227.db2.gz	UYQMOHOURWPNBH-NEPJUHHUSA-N	2	0	300.403	-1.348	20	0		DAADRP
C[C@@H](CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[N@H+](C)C1CC1	ZINC000911206590	663139583	/nfs/dbraw/zinc/13/95/83/663139583.db2.gz	QPJZREFALSFKQV-NHYWBVRUSA-N	2	0	312.414	-1.103	20	0		DAADRP
C[C@H](CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[N@H+](C)C1CC1	ZINC000911206589	663139617	/nfs/dbraw/zinc/13/96/17/663139617.db2.gz	QPJZREFALSFKQV-IAQYHMDHSA-N	2	0	312.414	-1.103	20	0		DAADRP
COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1	ZINC000911230538	663140095	/nfs/dbraw/zinc/14/00/95/663140095.db2.gz	HETJMBYYLAOAFN-HAQNSBGRSA-N	2	0	300.403	-1.076	20	0		DAADRP
C[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000911271277	663140337	/nfs/dbraw/zinc/14/03/37/663140337.db2.gz	ZUDFVXYTVHYMSP-OLZOCXBDSA-N	2	0	312.414	-1.230	20	0		DAADRP
O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCNCC[NH2+]CC1	ZINC000911269553	663140466	/nfs/dbraw/zinc/14/04/66/663140466.db2.gz	LMMMQVSTRSSUHI-ZIAGYGMSSA-N	2	0	323.441	-1.249	20	0		DAADRP
O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCNCC[NH2+]CC1	ZINC000911223681	663140498	/nfs/dbraw/zinc/14/04/98/663140498.db2.gz	RHIJYMOUYQLIOY-AWEZNQCLSA-N	2	0	323.441	-1.392	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)C[NH+](C)C	ZINC000911265634	663140847	/nfs/dbraw/zinc/14/08/47/663140847.db2.gz	DORLDKVCGYDYBD-GFCCVEGCSA-N	2	0	300.403	-1.063	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C[NH+](C)C	ZINC000911281241	663141026	/nfs/dbraw/zinc/14/10/26/663141026.db2.gz	DQQNIZVITHZJNH-RYUDHWBXSA-N	2	0	300.403	-1.063	20	0		DAADRP
CCC[N@H+](CC)CCNC(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000911255905	663141032	/nfs/dbraw/zinc/14/10/32/663141032.db2.gz	NYGRFXMOQCATEU-UHFFFAOYSA-N	2	0	313.446	-1.144	20	0		DAADRP
CC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000911282476	663141399	/nfs/dbraw/zinc/14/13/99/663141399.db2.gz	QZZWKCUTDWZGRR-QWHCGFSZSA-N	2	0	312.414	-1.230	20	0		DAADRP
CC1(C)CC[N@H+](CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1	ZINC000911312073	663141488	/nfs/dbraw/zinc/14/14/88/663141488.db2.gz	UHWYAUKPTDNEDT-LBPRGKRZSA-N	2	0	312.414	-1.061	20	0		DAADRP
O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO	ZINC000911286968	663141930	/nfs/dbraw/zinc/14/19/30/663141930.db2.gz	BHWNAINIRKLAHA-MELADBBJSA-N	2	0	324.425	-1.088	20	0		DAADRP
C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)C[C@]2(C)C1	ZINC000911311262	663142028	/nfs/dbraw/zinc/14/20/28/663142028.db2.gz	QOMUCRJDHCRFEZ-XUJVJEKNSA-N	2	0	310.398	-1.499	20	0		DAADRP
C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)C[C@]2(C)C1	ZINC000911312438	663142424	/nfs/dbraw/zinc/14/24/24/663142424.db2.gz	XLVMKPKIBYOXOS-WWGRRREGSA-N	2	0	324.425	-1.109	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)C[NH+](C)C	ZINC000911436505	663144489	/nfs/dbraw/zinc/14/44/89/663144489.db2.gz	UJRBFPAYORAOOD-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)C[NH+](C)C	ZINC000911433605	663144531	/nfs/dbraw/zinc/14/45/31/663144531.db2.gz	BJTRXHQGDHQOLO-RYUDHWBXSA-N	2	0	300.403	-1.110	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C[NH+](C)C	ZINC000911435782	663144619	/nfs/dbraw/zinc/14/46/19/663144619.db2.gz	OQOZXQBLJPGPIS-UPJWGTAASA-N	2	0	312.414	-1.110	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C[NH+](C)C	ZINC000911436487	663144789	/nfs/dbraw/zinc/14/47/89/663144789.db2.gz	TWMUIMOZWWFLJO-FRRDWIJNSA-N	2	0	312.414	-1.253	20	0		DAADRP
C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC3([NH3+])CC3)CC2)C1	ZINC000911503495	663147537	/nfs/dbraw/zinc/14/75/37/663147537.db2.gz	NPJPNMRNBVKJCR-ZDUSSCGKSA-N	2	0	323.441	-1.168	20	0		DAADRP
[NH3+]C1(CNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1	ZINC000911507342	663148095	/nfs/dbraw/zinc/14/80/95/663148095.db2.gz	VNOUSLHHGXSBGJ-RYUDHWBXSA-N	2	0	310.398	-1.349	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1	ZINC000911555475	663148769	/nfs/dbraw/zinc/14/87/69/663148769.db2.gz	BLYCHKCLGUHGGM-HAQNSBGRSA-N	2	0	300.403	-1.124	20	0		DAADRP
C[C@]1(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C[C@@H](O)C[NH2+]1	ZINC000911701528	663150282	/nfs/dbraw/zinc/15/02/82/663150282.db2.gz	DEVLLCOGJMZSCM-WOSRLPQWSA-N	2	0	324.425	-1.230	20	0		DAADRP
C[C@]1(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C[C@@H](O)C[NH2+]1	ZINC000911701530	663150666	/nfs/dbraw/zinc/15/06/66/663150666.db2.gz	DEVLLCOGJMZSCM-XJKCOSOUSA-N	2	0	324.425	-1.230	20	0		DAADRP
C[NH+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C	ZINC000913915903	663238681	/nfs/dbraw/zinc/23/86/81/663238681.db2.gz	SBLANKNWEMWLMS-AGIUHOORSA-N	2	0	312.414	-1.232	20	0		DAADRP
NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1	ZINC000996622906	663489873	/nfs/dbraw/zinc/48/98/73/663489873.db2.gz	TYXQHACWHJBRRL-CHWSQXEVSA-N	2	0	310.398	-1.085	20	0		DAADRP
CN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC([NH2+]CC(N)=O)C1	ZINC000999142961	663556654	/nfs/dbraw/zinc/55/66/54/663556654.db2.gz	IGFXUJBKZSBHBC-RRHJKOLHSA-N	2	0	322.409	-1.086	20	0		DAADRP
C[N@H+](CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)CCOCCO	ZINC000922111825	663621872	/nfs/dbraw/zinc/62/18/72/663621872.db2.gz	NGXNUDKWXNEMOQ-CQSZACIVSA-N	2	0	315.414	-1.236	20	0		DAADRP
C[N@H+](CCNC(=O)C[C@@]1(O)CCC[NH+](C)C1)CCOCCO	ZINC000922129228	663623018	/nfs/dbraw/zinc/62/30/18/663623018.db2.gz	POGJSGQIJISGDE-HNNXBMFYSA-N	2	0	317.430	-1.110	20	0		DAADRP
O[C@H]1C[NH+](Cc2cccc(C[NH+]3C[C@H](O)[C@@H](O)C3)c2)C[C@@H]1O	ZINC000625712873	663658780	/nfs/dbraw/zinc/65/87/80/663658780.db2.gz	GHISCPQVHGOBRV-VGWMRTNUSA-N	2	0	308.378	-1.239	20	0		DAADRP
COCCCS(=O)(=O)NCCN1CC[NH2+]CC[NH2+]CC1	ZINC000923462263	663697666	/nfs/dbraw/zinc/69/76/66/663697666.db2.gz	HDYDOCQAIMZPLD-UHFFFAOYSA-N	2	0	308.448	-1.563	20	0		DAADRP
[NH3+]C[C@H]1CC2(CO1)CC[NH+](CC(=O)N1CCNC(=O)C1)CC2	ZINC000923456576	663697753	/nfs/dbraw/zinc/69/77/53/663697753.db2.gz	XWQUWRAFEAEDOB-GFCCVEGCSA-N	2	0	310.398	-1.225	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1	ZINC000946918722	663698277	/nfs/dbraw/zinc/69/82/77/663698277.db2.gz	PXYPOZOLUMZDQY-CHWSQXEVSA-N	2	0	324.425	-1.088	20	0		DAADRP
Cn1nncc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000810394621	663848834	/nfs/dbraw/zinc/84/88/34/663848834.db2.gz	DRVZNEWTEHHGFD-UHFFFAOYSA-N	2	0	311.390	-1.295	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH2+]1	ZINC000842163900	663876725	/nfs/dbraw/zinc/87/67/25/663876725.db2.gz	ALCMVLBGMGVJHQ-UPJWGTAASA-N	2	0	310.398	-1.214	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH2+]1	ZINC000842163897	663877028	/nfs/dbraw/zinc/87/70/28/663877028.db2.gz	ALCMVLBGMGVJHQ-FRRDWIJNSA-N	2	0	310.398	-1.214	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH2+]1	ZINC000842163895	663877097	/nfs/dbraw/zinc/87/70/97/663877097.db2.gz	ALCMVLBGMGVJHQ-AGIUHOORSA-N	2	0	310.398	-1.214	20	0		DAADRP
C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000842164735	663877149	/nfs/dbraw/zinc/87/71/49/663877149.db2.gz	NZJATXPEHKTLQH-FRRDWIJNSA-N	2	0	310.398	-1.214	20	0		DAADRP
[NH3+]CCCCCCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000848613807	663892337	/nfs/dbraw/zinc/89/23/37/663892337.db2.gz	LUHBARWVIYTDOM-QWHCGFSZSA-N	2	0	312.414	-1.101	20	0		DAADRP
O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H]2C[NH2+]C[C@@H]21	ZINC000848637637	663892471	/nfs/dbraw/zinc/89/24/71/663892471.db2.gz	UTXUQJABNFCDEY-XQHKEYJVSA-N	2	0	308.382	-1.916	20	0		DAADRP
[NH3+]CC12CC(C1)CN2C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000851685789	663896326	/nfs/dbraw/zinc/89/63/26/663896326.db2.gz	WFHMPKAPXHIJLX-BTJONVMOSA-N	2	0	322.409	-1.085	20	0		DAADRP
C[Si](C)(CC[NH+]1C[C@@H](O)[C@@H](O)C1)CC[N@H+]1C[C@@H](O)[C@@H](O)C1	ZINC000859154025	663911854	/nfs/dbraw/zinc/91/18/54/663911854.db2.gz	UAYPARDMMIOVOG-KPWCQOOUSA-N	2	0	318.490	-1.230	20	0		DAADRP
C[NH+](C)CCn1cc(CNS(=O)(=O)N2CC[NH2+]CC2)nn1	ZINC000864623838	663929015	/nfs/dbraw/zinc/92/90/15/663929015.db2.gz	PSPNTGIIVKBHFO-UHFFFAOYSA-N	2	0	317.419	-1.921	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000868397627	663933885	/nfs/dbraw/zinc/93/38/85/663933885.db2.gz	YSECYTVZQDIIFB-QWHCGFSZSA-N	2	0	312.414	-1.027	20	0		DAADRP
CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)[C@H](C[NH3+])C1	ZINC000868385676	663933986	/nfs/dbraw/zinc/93/39/86/663933986.db2.gz	WRIBAGSXLFVMRI-MGPQQGTHSA-N	2	0	323.441	-1.360	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC[C@H]21	ZINC000868387367	663933989	/nfs/dbraw/zinc/93/39/89/663933989.db2.gz	BORWFQRWJZOABY-JHJVBQTASA-N	2	0	310.398	-1.275	20	0		DAADRP
C[C@@H](CNS(=O)(=O)N1CC[NH2+]CC1)N1CC[NH+](C)CC1	ZINC000923618845	663936841	/nfs/dbraw/zinc/93/68/41/663936841.db2.gz	VWXKVAFCJUVGBE-LBPRGKRZSA-N	2	0	305.448	-1.638	20	0		DAADRP
C[C@]1(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[NH2+]CCO1	ZINC000872302091	663939107	/nfs/dbraw/zinc/93/91/07/663939107.db2.gz	ODTIWRUXGDXNTO-MCYUEQNJSA-N	2	0	324.381	-1.242	20	0		DAADRP
C[C@@]1(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[NH2+]CCO1	ZINC000872302090	663939324	/nfs/dbraw/zinc/93/93/24/663939324.db2.gz	ODTIWRUXGDXNTO-FJJYHAOUSA-N	2	0	324.381	-1.242	20	0		DAADRP
COC[C@H](CCC[NH3+])[NH2+]C[C@]12COCCN1C(=O)COC2	ZINC000873265397	663941602	/nfs/dbraw/zinc/94/16/02/663941602.db2.gz	HPFOWDRNDUFAMF-GXTWGEPZSA-N	2	0	301.387	-1.042	20	0		DAADRP
COC[C@]1(C(=O)NCCCN2CC[NH2+]CC2)C[NH2+]CCO1	ZINC000876502725	663946092	/nfs/dbraw/zinc/94/60/92/663946092.db2.gz	LMOBNFGIGZLWMV-AWEZNQCLSA-N	2	0	300.403	-1.597	20	0		DAADRP
C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000876512044	663946279	/nfs/dbraw/zinc/94/62/79/663946279.db2.gz	DRSZZCVRWZKWRI-STQMWFEESA-N	2	0	311.430	-1.454	20	0		DAADRP
COCC[N@@H+]1CC[C@H](NC(=O)[C@]2(COC)C[NH2+]CCO2)C1	ZINC000876754057	663946814	/nfs/dbraw/zinc/94/68/14/663946814.db2.gz	AXMHGFYQPWSJLL-GXTWGEPZSA-N	2	0	301.387	-1.172	20	0		DAADRP
C[NH+](C)C[C@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000876841322	663948698	/nfs/dbraw/zinc/94/86/98/663948698.db2.gz	OVZZTCZEBGGQDA-VHSXEESVSA-N	2	0	311.352	-1.172	20	0		DAADRP
O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH2+]CC1	ZINC000923673148	663952437	/nfs/dbraw/zinc/95/24/37/663952437.db2.gz	ZPGYNFYGCUVUNC-LBPRGKRZSA-N	2	0	318.443	-1.115	20	0		DAADRP
[NH3+][C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)C[C@H]1C(F)(F)F	ZINC000923678106	663952691	/nfs/dbraw/zinc/95/26/91/663952691.db2.gz	SDIGYNHYOMXIDB-HTQZYQBOSA-N	2	0	302.322	-1.042	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1	ZINC000884562666	663964901	/nfs/dbraw/zinc/96/49/01/663964901.db2.gz	HGWBGCZPRMWMFM-SWLSCSKDSA-N	2	0	312.414	-1.251	20	0		DAADRP
CCN(C(=O)C(=O)NCC[N@H+](C)CCOC)[C@@H]1CC[NH2+]C1	ZINC000884562913	663965104	/nfs/dbraw/zinc/96/51/04/663965104.db2.gz	OHBJLNRDAKTWEU-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000884559987	663965146	/nfs/dbraw/zinc/96/51/46/663965146.db2.gz	KNGKSMSRYYIUNC-XQHKEYJVSA-N	2	0	310.398	-1.086	20	0		DAADRP
O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2	ZINC000884560355	663965171	/nfs/dbraw/zinc/96/51/71/663965171.db2.gz	VOTVVUSGUCXIBE-QNWHQSFQSA-N	2	0	308.382	-1.462	20	0		DAADRP
COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2	ZINC000884603714	663965908	/nfs/dbraw/zinc/96/59/08/663965908.db2.gz	PMYVCMRYMGSZRP-AVGNSLFASA-N	2	0	310.398	-1.214	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC[C@@H]21	ZINC000884725395	663966246	/nfs/dbraw/zinc/96/62/46/663966246.db2.gz	IKWHWFYNKBGIJM-AGIUHOORSA-N	2	0	310.398	-1.356	20	0		DAADRP
C[C@@H]([NH3+])CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000884684346	663966339	/nfs/dbraw/zinc/96/63/39/663966339.db2.gz	CUYNYQORIUSNJB-JHJVBQTASA-N	3	0	313.446	-1.352	20	0		DAADRP
CCN(C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CC[NH2+]C1	ZINC000887070771	663976129	/nfs/dbraw/zinc/97/61/29/663976129.db2.gz	SPGGHHJNUSKYPN-FRRDWIJNSA-N	2	0	310.398	-1.526	20	0		DAADRP
O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000926325206	663982136	/nfs/dbraw/zinc/98/21/36/663982136.db2.gz	GRXZTAQABUEOAD-CQSZACIVSA-N	2	0	323.441	-1.296	20	0		DAADRP
CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000926327920	663982223	/nfs/dbraw/zinc/98/22/23/663982223.db2.gz	KIBNLVNLIKEVHR-UHFFFAOYSA-N	2	0	311.430	-1.438	20	0		DAADRP
C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CCO1	ZINC000926335849	663982263	/nfs/dbraw/zinc/98/22/63/663982263.db2.gz	VFEHUCAYMIHIJO-QWHCGFSZSA-N	2	0	312.414	-1.027	20	0		DAADRP
C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000926337487	663982272	/nfs/dbraw/zinc/98/22/72/663982272.db2.gz	PXVLAOMBNJOZQE-KBPBESRZSA-N	2	0	323.441	-1.297	20	0		DAADRP
CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1	ZINC000926328701	663982280	/nfs/dbraw/zinc/98/22/80/663982280.db2.gz	RYPSZXHTEQHMMO-HNNXBMFYSA-N	2	0	312.414	-1.147	20	0		DAADRP
C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000926337488	663982514	/nfs/dbraw/zinc/98/25/14/663982514.db2.gz	PXVLAOMBNJOZQE-KGLIPLIRSA-N	2	0	323.441	-1.297	20	0		DAADRP
CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1	ZINC000926328704	663982637	/nfs/dbraw/zinc/98/26/37/663982637.db2.gz	RYPSZXHTEQHMMO-OAHLLOKOSA-N	2	0	312.414	-1.147	20	0		DAADRP
C[C@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C[C@H]1[NH+](C)C	ZINC000926340256	663982673	/nfs/dbraw/zinc/98/26/73/663982673.db2.gz	FBJZTSYHNCFKAU-QWHCGFSZSA-N	2	0	311.430	-1.584	20	0		DAADRP
CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000926383369	663983321	/nfs/dbraw/zinc/98/33/21/663983321.db2.gz	STNNPMUXYSKIEO-CYBMUJFWSA-N	2	0	311.430	-1.440	20	0		DAADRP
CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1	ZINC000926358580	663983830	/nfs/dbraw/zinc/98/38/30/663983830.db2.gz	BCALFPQYCUINGC-HNNXBMFYSA-N	2	0	312.414	-1.149	20	0		DAADRP
C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)C2)C1	ZINC000926411276	663984706	/nfs/dbraw/zinc/98/47/06/663984706.db2.gz	CWOOAZRFPOUWRC-HOTGVXAUSA-N	2	0	324.425	-1.147	20	0		DAADRP
COCC[N@H+](C)C[C@@H](O)CN1CC[C@H](CS(N)(=O)=O)C1	ZINC000932948808	664000000	/nfs/dbraw/zinc/00/00/00/664000000.db2.gz	UENMEBGYFPHALW-NWDGAFQWSA-N	2	0	309.432	-1.464	20	0		DAADRP
Cn1cnc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1	ZINC000933871518	664001795	/nfs/dbraw/zinc/00/17/95/664001795.db2.gz	MOEBGAOGASXULP-UHFFFAOYSA-N	2	0	324.429	-1.012	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)C1	ZINC000963382549	664390157	/nfs/dbraw/zinc/39/01/57/664390157.db2.gz	JGZNKUHTJWEVRW-MCIONIFRSA-N	2	0	324.425	-1.278	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1	ZINC000967923721	664467578	/nfs/dbraw/zinc/46/75/78/664467578.db2.gz	BPIPXDXNGMIYAV-VXGBXAGGSA-N	2	0	323.397	-1.177	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)C1	ZINC001016250812	664573137	/nfs/dbraw/zinc/57/31/37/664573137.db2.gz	QXESPRPRPQHYHN-NWDGAFQWSA-N	2	0	323.397	-1.320	20	0		DAADRP
C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O	ZINC000912992918	677821198	/nfs/dbraw/zinc/82/11/98/677821198.db2.gz	OIPQWUVENOYSGS-TYNCELHUSA-N	2	0	312.414	-1.103	20	0		DAADRP
Cc1ncc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)C2	ZINC001077682597	677873766	/nfs/dbraw/zinc/87/37/66/677873766.db2.gz	AZQDBTZUOAJRPH-IACUBPJLSA-N	2	0	308.382	-1.092	20	0		DAADRP
C[NH+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1	ZINC001042091505	678314633	/nfs/dbraw/zinc/31/46/33/678314633.db2.gz	BJFWLYLGRKDWHS-STQMWFEESA-N	2	0	324.425	-1.136	20	0		DAADRP
C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1	ZINC001042103485	678315383	/nfs/dbraw/zinc/31/53/83/678315383.db2.gz	GAYUAGBMJWKHNZ-LBPRGKRZSA-N	2	0	312.414	-1.278	20	0		DAADRP
C[NH+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1	ZINC001043114757	678365025	/nfs/dbraw/zinc/36/50/25/678365025.db2.gz	ARVHYKZYVHALTG-OLZOCXBDSA-N	2	0	324.425	-1.278	20	0		DAADRP
CC[C@@H](C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1)[NH+](C)C	ZINC001044043855	678410615	/nfs/dbraw/zinc/41/06/15/678410615.db2.gz	FJXKTJXHQMDOAH-LBPRGKRZSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1	ZINC001045713581	678469897	/nfs/dbraw/zinc/46/98/97/678469897.db2.gz	KNJPBACXPAIVSU-UHFFFAOYSA-N	2	0	312.414	-1.277	20	0		DAADRP
CC[C@H](C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1)[NH+](C)C	ZINC001045713531	678469913	/nfs/dbraw/zinc/46/99/13/678469913.db2.gz	JMCPKOQMARHYCW-GFCCVEGCSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1	ZINC001045713947	678470105	/nfs/dbraw/zinc/47/01/05/678470105.db2.gz	SIXJZDIEYPPOID-LBPRGKRZSA-N	2	0	312.414	-1.421	20	0		DAADRP
C[C@]1(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CCN(CC(N)=O)C1	ZINC001046501142	678483542	/nfs/dbraw/zinc/48/35/42/678483542.db2.gz	KQTPFKRSENTZJL-IAWSLSPSSA-N	2	0	322.409	-1.085	20	0		DAADRP
C[C@@H]1CN(C)C[C@H](C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)O1	ZINC001047428163	678518560	/nfs/dbraw/zinc/51/85/60/678518560.db2.gz	BOCIGRGXQJIDDF-MROQNXINSA-N	2	0	301.387	-1.799	20	0		DAADRP
NC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1	ZINC001048833455	678562267	/nfs/dbraw/zinc/56/22/67/678562267.db2.gz	ODGDADKOJXRSCC-RQJABVFESA-N	2	0	322.409	-1.275	20	0		DAADRP
C[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1[NH2+]CC(N)=O	ZINC001054653730	678634189	/nfs/dbraw/zinc/63/41/89/678634189.db2.gz	FMQHBYSCFPWWHQ-AAEUAGOBSA-N	2	0	322.413	-1.020	20	0		DAADRP
O=C(N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2	ZINC001051904494	678778771	/nfs/dbraw/zinc/77/87/71/678778771.db2.gz	OOFCNHYEIBJMFV-STQMWFEESA-N	2	0	322.409	-1.212	20	0		DAADRP
O=C(C[NH+]1CCCC1)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1	ZINC001051931621	678779884	/nfs/dbraw/zinc/77/98/84/678779884.db2.gz	AFQNMMYNJZCZOT-STQMWFEESA-N	2	0	310.398	-1.212	20	0		DAADRP
O=C(C[NH+]1CCCC1)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1	ZINC001051931619	678780064	/nfs/dbraw/zinc/78/00/64/678780064.db2.gz	AFQNMMYNJZCZOT-OLZOCXBDSA-N	2	0	310.398	-1.212	20	0		DAADRP
COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1	ZINC000390743000	678859892	/nfs/dbraw/zinc/85/98/92/678859892.db2.gz	SKENVBVSEAXIRW-ZIAGYGMSSA-N	2	0	316.446	-1.288	20	0		DAADRP
C[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CC1	ZINC001070265362	678863283	/nfs/dbraw/zinc/86/32/83/678863283.db2.gz	CULZKDMQLRKXSJ-KGLIPLIRSA-N	2	0	322.413	-1.046	20	0		DAADRP
c1ncc(N2CCN3CC[NH2+]C[C@@H]3C2)nc1N1CC[NH2+]CC1	ZINC001164399313	718834868	/nfs/dbraw/zinc/83/48/68/718834868.db2.gz	SOGGJUXTBFEAML-CYBMUJFWSA-N	2	0	303.414	-1.020	20	0		DAADRP
C[NH+](C)CCOCC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1	ZINC001201864689	782222215	/nfs/dbraw/zinc/22/22/15/782222215.db2.gz	ZKINCGNBHUFXGZ-GFCCVEGCSA-N	2	0	316.402	-1.743	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCNS(C)(=O)=O	ZINC001273909725	782222318	/nfs/dbraw/zinc/22/23/18/782222318.db2.gz	KHRRSGSBUAAVEA-VSQXVHSFSA-N	2	0	318.443	-1.108	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCNS(C)(=O)=O	ZINC001273909724	782222910	/nfs/dbraw/zinc/22/29/10/782222910.db2.gz	KHRRSGSBUAAVEA-PCAWENJQSA-N	2	0	318.443	-1.108	20	0		DAADRP
C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC(N)=O	ZINC001273910062	782222929	/nfs/dbraw/zinc/22/29/29/782222929.db2.gz	MDSQHQSAFSZLEH-CBZSPVTBSA-N	2	0	311.386	-1.074	20	0		DAADRP
NC(=O)C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1	ZINC001201870926	782223467	/nfs/dbraw/zinc/22/34/67/782223467.db2.gz	DUJBEIAHHYOLMS-LBPRGKRZSA-N	2	0	310.398	-1.225	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1	ZINC001202060225	782227107	/nfs/dbraw/zinc/22/71/07/782227107.db2.gz	VPWCFNZKPTXTIS-STQMWFEESA-N	2	0	312.414	-1.109	20	0		DAADRP
C[NH+](C)CCN1C[C@@]2(CC[N@H+](C[C@H](O)CO)C2)OCC1=O	ZINC001274564632	782283573	/nfs/dbraw/zinc/28/35/73/782283573.db2.gz	KMAQIBDQCUGWHP-JSGCOSHPSA-N	2	0	301.387	-1.796	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC(N)=O)C1	ZINC001111406913	782357473	/nfs/dbraw/zinc/35/74/73/782357473.db2.gz	GRFXFLDEIFIEBN-QCNOEVLYSA-N	2	0	323.397	-1.146	20	0		DAADRP
CN(CCC[NH2+]CC(=O)NC(N)=O)C(=O)C12CC[NH+](CC1)C2	ZINC001276333440	782381357	/nfs/dbraw/zinc/38/13/57/782381357.db2.gz	SLUWWOHIGZWYKF-UHFFFAOYSA-N	2	0	311.386	-1.285	20	0		DAADRP
CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)[C@@H](n2ccnn2)C1	ZINC001069905747	782434968	/nfs/dbraw/zinc/43/49/68/782434968.db2.gz	NLICHMMYMWLEFW-AGIUHOORSA-N	2	0	308.386	-1.030	20	0		DAADRP
C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O	ZINC001099975262	782518722	/nfs/dbraw/zinc/51/87/22/782518722.db2.gz	ZVBFNTOBCSDELD-KGLIPLIRSA-N	2	0	317.430	-1.112	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O	ZINC001099986853	782524992	/nfs/dbraw/zinc/52/49/92/782524992.db2.gz	QFJPHMHGGFGROT-OLZOCXBDSA-N	2	0	303.403	-1.502	20	0		DAADRP
CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCOCCO)C[C@@H]1O	ZINC001100064265	782543961	/nfs/dbraw/zinc/54/39/61/782543961.db2.gz	KPIQWPSNWVXQCS-KBPBESRZSA-N	2	0	317.430	-1.112	20	0		DAADRP
C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21	ZINC001115126722	782644015	/nfs/dbraw/zinc/64/40/15/782644015.db2.gz	SSOQEGBGCWNXFI-KZVDOYCCSA-N	2	0	310.398	-1.501	20	0		DAADRP
COCCOCCN1CCN(C(=O)CNC(=O)C[NH3+])CC1	ZINC001118338718	782715894	/nfs/dbraw/zinc/71/58/94/782715894.db2.gz	WVWCJIKWBKRZEW-UHFFFAOYSA-N	2	0	302.375	-2.132	20	0		DAADRP
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1	ZINC001118388539	782717456	/nfs/dbraw/zinc/71/74/56/782717456.db2.gz	BLTGNSCENXDTQJ-XQQFMLRXSA-N	2	0	312.414	-1.063	20	0		DAADRP
OC[C@H]1CC[N@H+](C/C=C\C[NH+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O	ZINC001118558123	782726385	/nfs/dbraw/zinc/72/63/85/782726385.db2.gz	MXNVHSYDYSENPA-YCBWMULKSA-N	2	0	314.426	-1.107	20	0		DAADRP
C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1	ZINC001118925901	782740664	/nfs/dbraw/zinc/74/06/64/782740664.db2.gz	WZYBJNYDJXQOQN-CYBMUJFWSA-N	2	0	311.430	-1.393	20	0		DAADRP
C[C@H]([NH3+])CCNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC001119294980	782751368	/nfs/dbraw/zinc/75/13/68/782751368.db2.gz	PRXDYRDLIPZSGW-LBPRGKRZSA-N	2	0	313.446	-1.018	20	0		DAADRP
CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CN(C)CCO1	ZINC001266666798	775168028	/nfs/dbraw/zinc/16/80/28/775168028.db2.gz	DRIZJUJZIQWFSE-SECBINFHSA-N	2	0	301.347	-2.440	20	0		DAADRP
CN(CC[NH2+]CCNS(C)(=O)=O)C(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001266989158	775193415	/nfs/dbraw/zinc/19/34/15/775193415.db2.gz	UDFDVGGQFCQLLK-LBPRGKRZSA-N	2	0	320.459	-1.075	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001267455661	775241206	/nfs/dbraw/zinc/24/12/06/775241206.db2.gz	ARBQDTVWGPZUPK-NSHDSACASA-N	2	0	313.402	-1.168	20	0		DAADRP
C[C@H]1C[NH2+]C[C@H](CNC(=O)CN(CC[NH3+])S(C)(=O)=O)C1	ZINC001219646263	775272029	/nfs/dbraw/zinc/27/20/29/775272029.db2.gz	RBEQPSJKUGZUJJ-GHMZBOCLSA-N	2	0	306.432	-1.432	20	0		DAADRP
C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(n2cc(CNCCO)nn2)C1	ZINC001105327124	775309825	/nfs/dbraw/zinc/30/98/25/775309825.db2.gz	SZORKLAYHJLIRX-RISCZKNCSA-N	2	0	322.413	-1.059	20	0		DAADRP
C[C@H]([NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O	ZINC001268626231	775410678	/nfs/dbraw/zinc/41/06/78/775410678.db2.gz	ZQMDUDYMEAEBNA-VUDBWIFFSA-N	2	0	311.386	-1.072	20	0		DAADRP
CC[C@H](C(=O)N[C@H](C)C[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C	ZINC001268670058	775414569	/nfs/dbraw/zinc/41/45/69/775414569.db2.gz	RMEUKKMPAABHEF-GHMZBOCLSA-N	2	0	313.402	-1.027	20	0		DAADRP
C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@H]1CCC[N@@H+]1C	ZINC001268699278	775416888	/nfs/dbraw/zinc/41/68/88/775416888.db2.gz	HBTORIIXEQBQFD-WDEREUQCSA-N	2	0	311.386	-1.273	20	0		DAADRP
C[C@@H]([NH2+]CCCN(C)C(=O)CC[NH+](C)C)C(=O)NC(N)=O	ZINC001268835672	775425025	/nfs/dbraw/zinc/42/50/25/775425025.db2.gz	JVUIRTCGUCPQAM-SNVBAGLBSA-N	2	0	301.391	-1.040	20	0		DAADRP
CN(CC(=O)N1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1)C(N)=[NH2+]	ZINC001268997121	775433607	/nfs/dbraw/zinc/43/36/07/775433607.db2.gz	VLNQCDGWLLBAQZ-RYUDHWBXSA-N	2	0	312.418	-1.715	20	0		DAADRP
CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)CN(C)C(N)=[NH2+])C2)C1	ZINC001268996729	775434198	/nfs/dbraw/zinc/43/41/98/775434198.db2.gz	PKMOPSHIUPIJSK-UHFFFAOYSA-N	2	0	310.402	-1.566	20	0		DAADRP
C[NH+](C)CCN1CC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)OCC1=O	ZINC001269247708	775451250	/nfs/dbraw/zinc/45/12/50/775451250.db2.gz	JGNCJZUVWSIPIU-ZDUSSCGKSA-N	2	0	324.425	-1.061	20	0		DAADRP
CNC(=O)C[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1	ZINC001168044349	775552152	/nfs/dbraw/zinc/55/21/52/775552152.db2.gz	RZVNZAUDDGSINF-UHFFFAOYSA-N	2	0	310.402	-1.100	20	0		DAADRP
C[NH+](C)C1CCC([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CC1	ZINC001168300299	775648169	/nfs/dbraw/zinc/64/81/69/775648169.db2.gz	STQBYZDKTDBTSF-YOUUSPGSSA-N	2	0	304.387	-1.751	20	0		DAADRP
CNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001272243488	775663142	/nfs/dbraw/zinc/66/31/42/775663142.db2.gz	TUBAWQHXGFFFJT-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
CNC(=O)C[NH2+]CCN(CCO)C(=O)CC1CC[NH+](C)CC1	ZINC001272271332	775711022	/nfs/dbraw/zinc/71/10/22/775711022.db2.gz	JKJHXKAOGHDEKO-UHFFFAOYSA-N	2	0	314.430	-1.125	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]CCN1CCNC1=O	ZINC001272582665	775784231	/nfs/dbraw/zinc/78/42/31/775784231.db2.gz	BKVDGPCEABCPAF-LBPRGKRZSA-N	2	0	313.402	-1.826	20	0		DAADRP
CN1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@H+](C)CC1	ZINC001122376651	775784572	/nfs/dbraw/zinc/78/45/72/775784572.db2.gz	DOEIWDLYDGPCLH-ZDUSSCGKSA-N	2	0	311.430	-1.440	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C	ZINC001106878617	775800785	/nfs/dbraw/zinc/80/07/85/775800785.db2.gz	UWHQAOBMWIAMPM-CHWSQXEVSA-N	2	0	314.430	-1.005	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001127474824	775807976	/nfs/dbraw/zinc/80/79/76/775807976.db2.gz	PIMPCIHPUYCLLM-LLVKDONJSA-N	2	0	311.386	-1.510	20	0		DAADRP
O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001127479670	775808073	/nfs/dbraw/zinc/80/80/73/775808073.db2.gz	DWBDVOJPPHKHDT-GFCCVEGCSA-N	2	0	323.397	-1.414	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001127474826	775808084	/nfs/dbraw/zinc/80/80/84/775808084.db2.gz	PIMPCIHPUYCLLM-NSHDSACASA-N	2	0	311.386	-1.510	20	0		DAADRP
O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001127479722	775808642	/nfs/dbraw/zinc/80/86/42/775808642.db2.gz	GVXPRLXGNHWNHV-VXGBXAGGSA-N	2	0	308.382	-1.161	20	0		DAADRP
O=C(C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)N1CCOCC1	ZINC001127473697	775808824	/nfs/dbraw/zinc/80/88/24/775808824.db2.gz	COERMGJWSHCRID-CQSZACIVSA-N	2	0	324.425	-1.107	20	0		DAADRP
O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@H]1C[NH+]2CCC1CC2	ZINC001127479721	775808834	/nfs/dbraw/zinc/80/88/34/775808834.db2.gz	GVXPRLXGNHWNHV-RYUDHWBXSA-N	2	0	308.382	-1.161	20	0		DAADRP
C[NH+](C)CCn1ccc(C(=O)NCC[NH2+][C@@H]2CCNC2=O)n1	ZINC001127558243	775811508	/nfs/dbraw/zinc/81/15/08/775811508.db2.gz	HWPNWIDPWPZBEN-LLVKDONJSA-N	2	0	308.386	-1.347	20	0		DAADRP
CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001124838695	775830731	/nfs/dbraw/zinc/83/07/31/775830731.db2.gz	YRHSTGGUVFYODN-GFCCVEGCSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O	ZINC001124873556	775832081	/nfs/dbraw/zinc/83/20/81/775832081.db2.gz	YAXDWQXUBLRGAV-LBPRGKRZSA-N	2	0	318.443	-1.178	20	0		DAADRP
COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001124872575	775832504	/nfs/dbraw/zinc/83/25/04/775832504.db2.gz	KQRNEJBVECTKDX-LBPRGKRZSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1	ZINC001124873233	775832528	/nfs/dbraw/zinc/83/25/28/775832528.db2.gz	UGEHHCBFZNQZOD-LLVKDONJSA-N	2	0	311.386	-2.255	20	0		DAADRP
COC(=O)CS(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1	ZINC001238243700	775839403	/nfs/dbraw/zinc/83/94/03/775839403.db2.gz	VELSUUGFBXLSPT-JTQLQIEISA-N	2	0	305.400	-1.047	20	0		DAADRP
COC(=O)CS(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1	ZINC001238243716	775839681	/nfs/dbraw/zinc/83/96/81/775839681.db2.gz	VELSUUGFBXLSPT-SNVBAGLBSA-N	2	0	305.400	-1.047	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001127779158	775862760	/nfs/dbraw/zinc/86/27/60/775862760.db2.gz	JQTBKRCDYOEFJI-UWVGGRQHSA-N	2	0	313.358	-2.250	20	0		DAADRP
O=C(NCC[NH2+]CCOCCO)[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001127778872	775863591	/nfs/dbraw/zinc/86/35/91/775863591.db2.gz	HHVJXGXAKZNQOQ-STQMWFEESA-N	2	0	301.387	-1.436	20	0		DAADRP
O=C(C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC1	ZINC001127779324	775864082	/nfs/dbraw/zinc/86/40/82/775864082.db2.gz	LGPWOCAJQIEOQF-CHWSQXEVSA-N	2	0	310.398	-1.212	20	0		DAADRP
Cn1nncc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001127780216	775864642	/nfs/dbraw/zinc/86/46/42/775864642.db2.gz	XDYHPNXFDUBYFY-AAEUAGOBSA-N	2	0	308.386	-1.116	20	0		DAADRP
CS(=O)(=O)CC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001127780054	775864780	/nfs/dbraw/zinc/86/47/80/775864780.db2.gz	VERDFCOPPCSHMB-NWDGAFQWSA-N	2	0	319.427	-1.400	20	0		DAADRP
O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC1CC1	ZINC001127777789	775864795	/nfs/dbraw/zinc/86/47/95/775864795.db2.gz	BQNARQAIKAHUHT-STQMWFEESA-N	2	0	310.398	-1.166	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])c1nccnc1N1CC[NH2+]CC1	ZINC001162124293	775979087	/nfs/dbraw/zinc/97/90/87/775979087.db2.gz	KEMKNZRMCDEHIJ-UHFFFAOYSA-N	2	0	300.388	-1.389	20	0		DAADRP
CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O	ZINC001128552133	775984674	/nfs/dbraw/zinc/98/46/74/775984674.db2.gz	KPHLGFOJJLTLJL-ZJUUUORDSA-N	2	0	319.381	-1.045	20	0		DAADRP
C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1	ZINC001129228593	776054579	/nfs/dbraw/zinc/05/45/79/776054579.db2.gz	YWADSNABLTWQIQ-XQQFMLRXSA-N	2	0	310.402	-1.048	20	0		DAADRP
CNC(=O)CN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1	ZINC001099972285	776207157	/nfs/dbraw/zinc/20/71/57/776207157.db2.gz	UQDURXPCSBQYPB-RYUDHWBXSA-N	2	0	312.414	-1.374	20	0		DAADRP
CNC(=O)CN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1	ZINC001099972286	776207761	/nfs/dbraw/zinc/20/77/61/776207761.db2.gz	UQDURXPCSBQYPB-VXGBXAGGSA-N	2	0	312.414	-1.374	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O	ZINC001099986933	776216889	/nfs/dbraw/zinc/21/68/89/776216889.db2.gz	RJDCZCVEDHXLNE-OLZOCXBDSA-N	2	0	310.402	-1.219	20	0		DAADRP
NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1	ZINC001086091894	776240030	/nfs/dbraw/zinc/24/00/30/776240030.db2.gz	RNWMVADBWKKROY-XQHKEYJVSA-N	2	0	310.398	-1.181	20	0		DAADRP
NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC001086152331	776245227	/nfs/dbraw/zinc/24/52/27/776245227.db2.gz	AWXTVWIYMPQGFQ-JUDIDYJCSA-N	2	0	322.409	-1.181	20	0		DAADRP
CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1	ZINC001129329097	776256657	/nfs/dbraw/zinc/25/66/57/776256657.db2.gz	URRNRIAJSAWGPW-LLVKDONJSA-N	2	0	313.402	-1.135	20	0		DAADRP
NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1	ZINC001086373278	776258335	/nfs/dbraw/zinc/25/83/35/776258335.db2.gz	RNWMVADBWKKROY-ZDEQEGDKSA-N	2	0	310.398	-1.181	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCOCCO)C[C@@H]1O	ZINC001100084144	776262185	/nfs/dbraw/zinc/26/21/85/776262185.db2.gz	XWVSMLBIFUTYCQ-KBPBESRZSA-N	2	0	317.430	-1.112	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CN(C)CCO1	ZINC001156146332	776273230	/nfs/dbraw/zinc/27/32/30/776273230.db2.gz	WKDWCDMFWLNIAX-JTQLQIEISA-N	2	0	315.374	-2.132	20	0		DAADRP
[NH3+][C@@H](CO)Cc1cncn1-c1nccc(N2CC[NH2+]CC2)n1	ZINC001169067018	776284788	/nfs/dbraw/zinc/28/47/88/776284788.db2.gz	LETIBAOFCKUIMJ-LLVKDONJSA-N	2	0	303.370	-1.066	20	0		DAADRP
[NH3+]CCCC[C@H](NC(=O)[C@@H]1C[NH2+]CCN1)C(=O)N1CCCC1	ZINC001157380129	776386099	/nfs/dbraw/zinc/38/60/99/776386099.db2.gz	WJPKTFHUYRXXPY-STQMWFEESA-N	2	0	311.430	-1.216	20	0		DAADRP
CC[N@H+](C)CCC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O	ZINC001170222440	776425272	/nfs/dbraw/zinc/42/52/72/776425272.db2.gz	JJZMWSPRDMBDQF-UHFFFAOYSA-N	2	0	313.402	-1.024	20	0		DAADRP
C[NH+](C)[C@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)C1CC1	ZINC001129444010	776470995	/nfs/dbraw/zinc/47/09/95/776470995.db2.gz	OIDRIKFCFXYNBV-LBPRGKRZSA-N	2	0	311.386	-1.416	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C	ZINC001129448577	776471260	/nfs/dbraw/zinc/47/12/60/776471260.db2.gz	BTQPVJOGMYOTDP-GXSJLCMTSA-N	2	0	313.402	-1.124	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1	ZINC001130137249	776495828	/nfs/dbraw/zinc/49/58/28/776495828.db2.gz	PPBOOJCFAAEJSC-NEPJUHHUSA-N	2	0	323.401	-1.555	20	0		DAADRP
CC[C@H](C(=O)NCC[NH2+]CCNS(=O)(=O)CC)[NH+](C)C	ZINC001130205882	776497149	/nfs/dbraw/zinc/49/71/49/776497149.db2.gz	ZNYBMSXJQYDCSH-LLVKDONJSA-N	2	0	308.448	-1.028	20	0		DAADRP
CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)[NH+](C)C	ZINC001130200621	776497983	/nfs/dbraw/zinc/49/79/83/776497983.db2.gz	LSGZAWWPOCORST-VHSXEESVSA-N	2	0	301.391	-1.124	20	0		DAADRP
CC(C)(C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@@H]1CCNC1=O	ZINC001130230265	776499352	/nfs/dbraw/zinc/49/93/52/776499352.db2.gz	JBQUAUBPYCVUHL-GFCCVEGCSA-N	2	0	312.414	-1.061	20	0		DAADRP
C[C@]1(CO)CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C[C@@H]1O	ZINC001157946913	776505149	/nfs/dbraw/zinc/50/51/49/776505149.db2.gz	POGFRYUPPHYYSY-VNHYZAJKSA-N	2	0	314.430	-1.671	20	0		DAADRP
C[C@]1(CO)CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C[C@H]1O	ZINC001157946911	776505560	/nfs/dbraw/zinc/50/55/60/776505560.db2.gz	POGFRYUPPHYYSY-UMVBOHGHSA-N	2	0	314.430	-1.671	20	0		DAADRP
O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158100942	776532134	/nfs/dbraw/zinc/53/21/34/776532134.db2.gz	DCGOBGOKHJZICG-JOYOIKCWSA-N	2	0	302.325	-1.078	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC[C@]12CCC[NH2+]C2	ZINC001158162772	776545272	/nfs/dbraw/zinc/54/52/72/776545272.db2.gz	ZMRFFAKAISZHGV-ZDUSSCGKSA-N	2	0	318.443	-1.049	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131521949	776571500	/nfs/dbraw/zinc/57/15/00/776571500.db2.gz	MVGFVRMJBANBEG-BVWOZKJXSA-N	2	0	310.398	-1.310	20	0		DAADRP
O=C(NCC[NH2+][C@H]1CCNC1=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131519281	776571858	/nfs/dbraw/zinc/57/18/58/776571858.db2.gz	CJYFPSKBUGUPGY-WVIDZAQPSA-N	2	0	308.382	-1.556	20	0		DAADRP
O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC1	ZINC001131520312	776573524	/nfs/dbraw/zinc/57/35/24/776573524.db2.gz	XGLKQIDUTLLQRV-UYJPIKCFSA-N	2	0	322.409	-1.212	20	0		DAADRP
O=C(NCC[NH2+][C@H]1CCCNC1=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131520237	776574677	/nfs/dbraw/zinc/57/46/77/776574677.db2.gz	VQKGBMKFQKATSA-BWAOXVRWSA-N	2	0	322.409	-1.166	20	0		DAADRP
Cn1nncc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131520473	776575390	/nfs/dbraw/zinc/57/53/90/776575390.db2.gz	YXBDVTXLVNIMMM-QRJNDHJOSA-N	2	0	320.397	-1.116	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1	ZINC001131790248	776588452	/nfs/dbraw/zinc/58/84/52/776588452.db2.gz	JMIFZCMZHFXPPH-LBPRGKRZSA-N	2	0	311.386	-1.239	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1	ZINC001132849048	776643430	/nfs/dbraw/zinc/64/34/30/776643430.db2.gz	ZYDSYAXGLWCDCZ-NEPJUHHUSA-N	2	0	300.403	-1.064	20	0		DAADRP
CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOCCO)C1	ZINC001132848991	776643659	/nfs/dbraw/zinc/64/36/59/776643659.db2.gz	YCULTBPHHDMJOH-ZDUSSCGKSA-N	2	0	303.403	-1.190	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1	ZINC001132995241	776648008	/nfs/dbraw/zinc/64/80/08/776648008.db2.gz	OVUJTVLNNAYZPG-JTQLQIEISA-N	2	0	313.402	-1.122	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C	ZINC001133052051	776650444	/nfs/dbraw/zinc/65/04/44/776650444.db2.gz	ZYYLNZZVWYAFMN-SNVBAGLBSA-N	2	0	301.391	-1.122	20	0		DAADRP
C[NH+](C)CCCC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O	ZINC001133051542	776650645	/nfs/dbraw/zinc/65/06/45/776650645.db2.gz	IGONSVSNKZFWCG-UHFFFAOYSA-N	2	0	313.402	-1.024	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C	ZINC001133052050	776650655	/nfs/dbraw/zinc/65/06/55/776650655.db2.gz	ZYYLNZZVWYAFMN-JTQLQIEISA-N	2	0	301.391	-1.122	20	0		DAADRP
CN(CC[NH2+]CCNC(=O)CCC[NH+](C)C)S(C)(=O)=O	ZINC001133040255	776650784	/nfs/dbraw/zinc/65/07/84/776650784.db2.gz	IEFNXYXLSADOKI-UHFFFAOYSA-N	2	0	308.448	-1.075	20	0		DAADRP
C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)CC[NH+](C)C)CCO1	ZINC001133291189	776662557	/nfs/dbraw/zinc/66/25/57/776662557.db2.gz	KWMBLUNGIHAJPF-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)CC[NH+](C)C	ZINC001133291197	776663494	/nfs/dbraw/zinc/66/34/94/776663494.db2.gz	LBXPWKQIAIATQB-UHFFFAOYSA-N	2	0	308.448	-1.075	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CC[NH+](C)CC1	ZINC001133285981	776663745	/nfs/dbraw/zinc/66/37/45/776663745.db2.gz	QTOXGRXPQUSMPM-SNVBAGLBSA-N	2	0	313.402	-1.122	20	0		DAADRP
C[NH+](C)CCC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1	ZINC001133297357	776665413	/nfs/dbraw/zinc/66/54/13/776665413.db2.gz	LQBAPPMOJHMIDS-GFCCVEGCSA-N	2	0	320.459	-1.075	20	0		DAADRP
C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1	ZINC001133294621	776665627	/nfs/dbraw/zinc/66/56/27/776665627.db2.gz	NQCFZIMPNMXVCC-GFCCVEGCSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[NH+](C)CCC(=O)NCC[NH2+]CCN1CCCS1(=O)=O	ZINC001133297968	776665674	/nfs/dbraw/zinc/66/56/74/776665674.db2.gz	VFHSIGAWDVMLKB-UHFFFAOYSA-N	2	0	306.432	-1.321	20	0		DAADRP
C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O	ZINC001133823661	776678509	/nfs/dbraw/zinc/67/85/09/776678509.db2.gz	LOIYBTVYVGVZQO-NSHDSACASA-N	2	0	311.386	-1.272	20	0		DAADRP
C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O	ZINC001133823660	776678764	/nfs/dbraw/zinc/67/87/64/776678764.db2.gz	LOIYBTVYVGVZQO-LLVKDONJSA-N	2	0	311.386	-1.272	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)C1	ZINC001133845682	776679189	/nfs/dbraw/zinc/67/91/89/776679189.db2.gz	LPFMIFZLRWOFEF-GFCCVEGCSA-N	2	0	320.459	-1.075	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CCNS(C)(=O)=O)C1	ZINC001133850668	776679651	/nfs/dbraw/zinc/67/96/51/776679651.db2.gz	PLJGLNMTIYMQMK-LLVKDONJSA-N	2	0	306.432	-1.417	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C	ZINC001133870633	776680445	/nfs/dbraw/zinc/68/04/45/776680445.db2.gz	UZERSURZBFOFCZ-QWRGUYRKSA-N	2	0	313.402	-1.264	20	0		DAADRP
C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O	ZINC001133863509	776680937	/nfs/dbraw/zinc/68/09/37/776680937.db2.gz	MXQYEVXIZWYRSV-GHMZBOCLSA-N	2	0	311.386	-1.558	20	0		DAADRP
C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O	ZINC001133862647	776681638	/nfs/dbraw/zinc/68/16/38/776681638.db2.gz	DYGJOPVMNOXIIS-WDEREUQCSA-N	2	0	306.432	-1.561	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C	ZINC001133982655	776686653	/nfs/dbraw/zinc/68/66/53/776686653.db2.gz	GGFCVUSUMDYNHX-JTQLQIEISA-N	2	0	301.391	-1.122	20	0		DAADRP
CC[NH+](CC)C[C@@H](F)C(=O)NCCC[NH2+]CC(=O)NC(N)=O	ZINC001159148367	776698028	/nfs/dbraw/zinc/69/80/28/776698028.db2.gz	DPXFJDZDHAJUSN-SNVBAGLBSA-N	2	0	319.381	-1.043	20	0		DAADRP
C[NH+](C)CCn1cc(C(=O)NCC[NH2+]CC(=O)N2CCC2)cn1	ZINC001135114643	776735122	/nfs/dbraw/zinc/73/51/22/776735122.db2.gz	LIEJLZGRGACHAA-UHFFFAOYSA-N	2	0	322.413	-1.004	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21	ZINC001135095967	776735587	/nfs/dbraw/zinc/73/55/87/776735587.db2.gz	YCEKHCODLVJXOD-GHMZBOCLSA-N	2	0	311.386	-1.096	20	0		DAADRP
COC[C@H](O)C[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1	ZINC001135119201	776737596	/nfs/dbraw/zinc/73/75/96/776737596.db2.gz	ZBFGEXVMDQEQKH-CYBMUJFWSA-N	2	0	313.402	-1.229	20	0		DAADRP
CC[NH+](CC)CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O	ZINC001135510632	776760376	/nfs/dbraw/zinc/76/03/76/776760376.db2.gz	CZICVHBYTQXGPT-UHFFFAOYSA-N	2	0	308.448	-1.075	20	0		DAADRP
CN(C)C(=O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1	ZINC001135959590	776776658	/nfs/dbraw/zinc/77/66/58/776776658.db2.gz	QBTRTXVRJGUULZ-UHFFFAOYSA-N	2	0	300.403	-1.109	20	0		DAADRP
CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCN(CC(N)=O)C[C@@H]2O)C1	ZINC001090573498	776791026	/nfs/dbraw/zinc/79/10/26/776791026.db2.gz	MWSXLWLOGKHHFY-NEPJUHHUSA-N	2	0	312.414	-1.245	20	0		DAADRP
CC1(C)CC[N@H+](CC(=O)N[C@H]2CCN(CC(N)=O)C[C@H]2O)C1	ZINC001090573500	776792061	/nfs/dbraw/zinc/79/20/61/776792061.db2.gz	MWSXLWLOGKHHFY-NWDGAFQWSA-N	2	0	312.414	-1.245	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)C[C@@H]21	ZINC001119705818	779511819	/nfs/dbraw/zinc/51/18/19/779511819.db2.gz	ZXGGMJNGFSOOKL-XUJVJEKNSA-N	2	0	310.398	-1.539	20	0		DAADRP
O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCNCC[NH2+]CC1	ZINC001120419573	779520128	/nfs/dbraw/zinc/52/01/28/779520128.db2.gz	BVAMWVFUBZWLEF-UHFFFAOYSA-N	2	0	323.441	-1.249	20	0		DAADRP
[NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1	ZINC001120456341	779522524	/nfs/dbraw/zinc/52/25/24/779522524.db2.gz	UIMJZRWZHYASJM-XUXIUFHCSA-N	2	0	324.425	-1.103	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1	ZINC001120514990	779523145	/nfs/dbraw/zinc/52/31/45/779523145.db2.gz	MBGXGEVKWUQCCG-STQMWFEESA-N	2	0	311.430	-1.454	20	0		DAADRP
C[C@H]1CN(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CCO1	ZINC001120573939	779524715	/nfs/dbraw/zinc/52/47/15/779524715.db2.gz	JPZPAAOPWHMRHA-GJZGRUSLSA-N	2	0	300.447	-1.095	20	0		DAADRP
C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCNS(C)(=O)=O)CC1	ZINC001120574177	779525570	/nfs/dbraw/zinc/52/55/70/779525570.db2.gz	WEBAXACHAINVKP-LBPRGKRZSA-N	2	0	308.448	-1.876	20	0		DAADRP
C[C@@H](C(=O)NCC[NH2+]CCNC(=O)[C@H](C)[NH+](C)C)[NH+](C)C	ZINC001122450379	779566641	/nfs/dbraw/zinc/56/66/41/779566641.db2.gz	BHVCMGWWVKFYPV-RYUDHWBXSA-N	3	0	301.435	-1.291	20	0		DAADRP
Cn1c(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)cc(=O)n(C)c1=O	ZINC001124867419	779603850	/nfs/dbraw/zinc/60/38/50/779603850.db2.gz	VPUHOGNIAWLFLU-LBPRGKRZSA-N	2	0	323.397	-1.616	20	0		DAADRP
CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001151049619	779669537	/nfs/dbraw/zinc/66/95/37/779669537.db2.gz	UPXRZFGYXRRLAB-GFCCVEGCSA-N	2	0	300.403	-1.203	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1	ZINC001151049809	779670436	/nfs/dbraw/zinc/67/04/36/779670436.db2.gz	ZKABORUWFRAGSY-NSHDSACASA-N	2	0	311.386	-2.398	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1	ZINC001151066366	779670567	/nfs/dbraw/zinc/67/05/67/779670567.db2.gz	UBXRKTGQVLQAQE-NSHDSACASA-N	2	0	311.386	-1.414	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1	ZINC001151049819	779670629	/nfs/dbraw/zinc/67/06/29/779670629.db2.gz	ZMCWQVLUAGTWAB-STQMWFEESA-N	2	0	312.414	-1.061	20	0		DAADRP
C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)CCO1	ZINC001151064967	779671697	/nfs/dbraw/zinc/67/16/97/779671697.db2.gz	GJVPUUIEOZFCPS-OLZOCXBDSA-N	2	0	312.414	-1.109	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1	ZINC001151049816	779671790	/nfs/dbraw/zinc/67/17/90/779671790.db2.gz	ZMCWQVLUAGTWAB-CHWSQXEVSA-N	2	0	312.414	-1.061	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCn1cncn1	ZINC001151159815	779673086	/nfs/dbraw/zinc/67/30/86/779673086.db2.gz	ULXDWQXIBZPWHJ-CYBMUJFWSA-N	2	0	310.402	-1.048	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCOCCO	ZINC001151157927	779673616	/nfs/dbraw/zinc/67/36/16/779673616.db2.gz	NBICTCDWSXPRCD-ZDUSSCGKSA-N	2	0	303.403	-1.331	20	0		DAADRP
CC[C@@H]([NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(N)=O	ZINC001151156742	779673666	/nfs/dbraw/zinc/67/36/66/779673666.db2.gz	GTCNBYDDEIYYFL-NWDGAFQWSA-N	2	0	300.403	-1.076	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCOCC1	ZINC001152439423	779693433	/nfs/dbraw/zinc/69/34/33/779693433.db2.gz	LQDJEKLJXLPVMF-UHFFFAOYSA-N	2	0	300.403	-1.109	20	0		DAADRP
O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc(N3CC[NH2+]CC3)nn2)N1	ZINC001155568983	779733237	/nfs/dbraw/zinc/73/32/37/779733237.db2.gz	CQOHXKKEEXSSIB-IINYFYTJSA-N	2	0	303.370	-1.124	20	0		DAADRP
CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2	ZINC001157082047	779748374	/nfs/dbraw/zinc/74/83/74/779748374.db2.gz	GKRIMHPIBFHSKR-RYUDHWBXSA-N	2	0	321.381	-1.191	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)C[NH3+]	ZINC001157336380	779752519	/nfs/dbraw/zinc/75/25/19/779752519.db2.gz	OHDVPMQOCPCQAV-QWRGUYRKSA-N	2	0	313.402	-1.704	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@H]1OC(C)=O	ZINC001157335929	779752587	/nfs/dbraw/zinc/75/25/87/779752587.db2.gz	MEIXBBYNFDKMFA-GRYCIOLGSA-N	2	0	314.386	-1.503	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21	ZINC001157337087	779752627	/nfs/dbraw/zinc/75/26/27/779752627.db2.gz	UJLBDYPZHCFDCE-QNWHQSFQSA-N	2	0	312.414	-1.029	20	0		DAADRP
C[NH2+][C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1	ZINC001157379650	779753410	/nfs/dbraw/zinc/75/34/10/779753410.db2.gz	PIDMWAVDRHWEBC-RYUDHWBXSA-N	2	0	300.403	-1.197	20	0		DAADRP
C[C@@H](O)[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1	ZINC001157369481	779753472	/nfs/dbraw/zinc/75/34/72/779753472.db2.gz	UWIKIYFDFOURTG-WOPDTQHZSA-N	2	0	300.403	-1.069	20	0		DAADRP
[NH3+]CCCC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1O)C(=O)N1CCCC1	ZINC001157380071	779753680	/nfs/dbraw/zinc/75/36/80/779753680.db2.gz	UEVSRLXLTUJOKS-AGIUHOORSA-N	2	0	312.414	-1.197	20	0		DAADRP
[NH3+][C@H]1CN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C[C@H]1F	ZINC001157531243	779756072	/nfs/dbraw/zinc/75/60/72/779756072.db2.gz	OFJNLKVWTBXFRV-BBBLOLIVSA-N	2	0	309.349	-1.568	20	0		DAADRP
CC1([NH3+])CN(C(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)C1	ZINC001157628684	779757684	/nfs/dbraw/zinc/75/76/84/779757684.db2.gz	JKBXOGWFFQCEDE-JTQLQIEISA-N	2	0	306.370	-1.127	20	0		DAADRP
CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001157716172	779757942	/nfs/dbraw/zinc/75/79/42/779757942.db2.gz	MEWNOMOMRRLHOT-NEPJUHHUSA-N	2	0	310.398	-1.451	20	0		DAADRP
C[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)C[C@@H]1[NH3+]	ZINC001157799715	779758552	/nfs/dbraw/zinc/75/85/52/779758552.db2.gz	RDICBRZZEOWMOR-MXWKQRLJSA-N	2	0	301.412	-1.041	20	0		DAADRP
[NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1	ZINC001157739812	779758615	/nfs/dbraw/zinc/75/86/15/779758615.db2.gz	KAKNILPXMSZQHT-AAEUAGOBSA-N	2	0	300.378	-1.004	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1	ZINC001157973351	779762614	/nfs/dbraw/zinc/76/26/14/779762614.db2.gz	RTYDWINOAJIPSW-FPMFFAJLSA-N	2	0	320.393	-1.016	20	0		DAADRP
CCOC(=O)[C@H]1CNCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001157998810	779763811	/nfs/dbraw/zinc/76/38/11/779763811.db2.gz	IDEIBGCSPDFFQN-LALPHHSUSA-N	2	0	310.398	-1.451	20	0		DAADRP
COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001158013056	779764049	/nfs/dbraw/zinc/76/40/49/779764049.db2.gz	BKVUGMARCHHXCH-WCQGTBRESA-N	2	0	316.377	-1.151	20	0		DAADRP
O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158093518	779765244	/nfs/dbraw/zinc/76/52/44/779765244.db2.gz	WOWUSGYDWJWUOF-WBMJQRKESA-N	3	0	321.425	-1.449	20	0		DAADRP
O=C([C@@H]1CCSC12C[NH2+]C2)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158093491	779765383	/nfs/dbraw/zinc/76/53/83/779765383.db2.gz	VVRQWXPIVFIHLF-GWCFXTLKSA-N	2	0	310.423	-1.228	20	0		DAADRP
O=C([C@@H]1CC[C@@]2(C1)C[NH2+]CCO2)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158091697	779765575	/nfs/dbraw/zinc/76/55/75/779765575.db2.gz	HAVWDTVTUDARQC-DAXOMENPSA-N	2	0	322.409	-1.164	20	0		DAADRP
O=C([C@@H]1COC2(C1)CC[NH2+]CC2)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158091717	779765690	/nfs/dbraw/zinc/76/56/90/779765690.db2.gz	HCHOMALHGOHAJO-SWLSCSKDSA-N	2	0	322.409	-1.164	20	0		DAADRP
NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158091456	779765752	/nfs/dbraw/zinc/76/57/52/779765752.db2.gz	CMKYJSPXHGZHCZ-NOZJJQNGSA-N	2	0	312.374	-2.547	20	0		DAADRP
O=C([C@@H]1C[NH2+]CC12CCOCC2)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158092610	779766105	/nfs/dbraw/zinc/76/61/05/779766105.db2.gz	OGSAUZBOPSOKHB-LRDDRELGSA-N	2	0	322.409	-1.307	20	0		DAADRP
O=C([C@H]1COC2(C1)CC[NH2+]CC2)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158091714	779766160	/nfs/dbraw/zinc/76/61/60/779766160.db2.gz	HCHOMALHGOHAJO-DOMZBBRYSA-N	2	0	322.409	-1.164	20	0		DAADRP
Cn1cncc1C[C@H]([NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158091837	779766217	/nfs/dbraw/zinc/76/62/17/779766217.db2.gz	IMKZKBRTNNQKEL-FZMZJTMJSA-N	2	0	306.370	-2.020	20	0		DAADRP
O=C([C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158091639	779766291	/nfs/dbraw/zinc/76/62/91/779766291.db2.gz	GEJWNKZZDNZIKX-OHTBPHCPSA-N	2	0	308.382	-1.556	20	0		DAADRP
O=C([C@@H]1CCC2(C[NH2+]C2)O1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158109892	779767224	/nfs/dbraw/zinc/76/72/24/779767224.db2.gz	FKXUGPKWBWDPKX-ZBEGNZNMSA-N	2	0	320.393	-1.555	20	0		DAADRP
C[C@]1(C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CC[NH2+]C[C@H]1O	ZINC001158111109	779767265	/nfs/dbraw/zinc/76/72/65/779767265.db2.gz	KEQLKDJDQHLVHZ-DIOULYMOSA-N	2	0	322.409	-1.715	20	0		DAADRP
CN(CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)[C@@H]1CCC[NH2+]C1	ZINC001158102667	779767269	/nfs/dbraw/zinc/76/72/69/779767269.db2.gz	VCTGFAKJQUJNJZ-DOMZBBRYSA-N	2	0	309.414	-1.639	20	0		DAADRP
O=C([C@H]1CCC2(C[NH2+]C2)O1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158109887	779767378	/nfs/dbraw/zinc/76/73/78/779767378.db2.gz	FKXUGPKWBWDPKX-BZNIZROVSA-N	2	0	320.393	-1.555	20	0		DAADRP
CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158102896	779767569	/nfs/dbraw/zinc/76/75/69/779767569.db2.gz	XSIUPOVCVMJWOW-JTNHKYCSSA-N	2	0	310.354	-2.172	20	0		DAADRP
O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158119844	779767980	/nfs/dbraw/zinc/76/79/80/779767980.db2.gz	HWGUDWMOAYNSCU-PEYYIBSZSA-N	2	0	304.394	-1.076	20	0		DAADRP
O=C([C@@H]1C[NH2+]C[C@@H](F)C1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158112158	779767997	/nfs/dbraw/zinc/76/79/97/779767997.db2.gz	WFXUSTORJDTOGW-PGUXBMHVSA-N	2	0	310.373	-1.128	20	0		DAADRP
CC(=O)OC[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158111138	779768064	/nfs/dbraw/zinc/76/80/64/779768064.db2.gz	KPSCFBHARKWKRX-HZMBPMFUSA-N	2	0	310.354	-2.185	20	0		DAADRP
O=C(c1n[nH]c2c1CC[NH2+]C2)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158112171	779768365	/nfs/dbraw/zinc/76/83/65/779768365.db2.gz	WOQQWMADVQHTMY-AWEZNQCLSA-N	2	0	304.354	-1.641	20	0		DAADRP
O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158119845	779768657	/nfs/dbraw/zinc/76/86/57/779768657.db2.gz	HWGUDWMOAYNSCU-PJODQICGSA-N	2	0	304.394	-1.076	20	0		DAADRP
O=C(c1ncn2c1C[NH2+]CC2)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158111270	779768740	/nfs/dbraw/zinc/76/87/40/779768740.db2.gz	MPEQKEHVNRMSSY-CQSZACIVSA-N	2	0	304.354	-1.710	20	0		DAADRP
[NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158111497	779768831	/nfs/dbraw/zinc/76/88/31/779768831.db2.gz	ONUQVUBQIWAHHH-IAQYHMDHSA-N	2	0	318.381	-1.782	20	0		DAADRP
O=C(c1n[nH]c2c1CC[NH2+]C2)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158112172	779768857	/nfs/dbraw/zinc/76/88/57/779768857.db2.gz	WOQQWMADVQHTMY-CQSZACIVSA-N	2	0	304.354	-1.641	20	0		DAADRP
O=C(N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)[C@@]12C[NH2+][C@@H](CO1)C2	ZINC001158121624	779769183	/nfs/dbraw/zinc/76/91/83/779769183.db2.gz	VLXOLPIETIFQBW-WKPIXPDZSA-N	2	0	306.366	-1.945	20	0		DAADRP
O=C(C[C@@H]1COCC[NH2+]1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158120599	779769273	/nfs/dbraw/zinc/76/92/73/779769273.db2.gz	OJJIUQPVIJGRAW-IAQYHMDHSA-N	2	0	308.382	-1.697	20	0		DAADRP
NC(=O)CC[C@H]([NH3+])CC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158121369	779769738	/nfs/dbraw/zinc/76/97/38/779769738.db2.gz	SCWBBYNTYWZQKY-BONVTDFDSA-N	2	0	323.397	-2.093	20	0		DAADRP
O=C([C@@H]1C[NH2+]CCC1=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158121686	779769845	/nfs/dbraw/zinc/76/98/45/779769845.db2.gz	WBYSWLHSSYSSNM-BMIGLBTASA-N	2	0	306.366	-1.897	20	0		DAADRP
O=C([C@@H]1CC[NH2+]C[C@H]1F)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158121041	779770049	/nfs/dbraw/zinc/77/00/49/779770049.db2.gz	RRUZTQFXHRIYDN-HFAKWTLXSA-N	2	0	310.373	-1.128	20	0		DAADRP
O=C([C@H]1CO[C@@H]2C[NH2+]C[C@H]12)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158120372	779770056	/nfs/dbraw/zinc/77/00/56/779770056.db2.gz	LJMOBXVXLKMHTH-JBBSTSQOSA-N	2	0	320.393	-1.841	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]21)C(N)=O	ZINC001158214868	779770599	/nfs/dbraw/zinc/77/05/99/779770599.db2.gz	DWSCQGIEDPTLCJ-UKKRHICBSA-N	2	0	311.386	-1.953	20	0		DAADRP
CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1	ZINC001158179392	779770804	/nfs/dbraw/zinc/77/08/04/779770804.db2.gz	LJZAKOGGAXFKAG-SFTQSGBHSA-N	2	0	312.414	-1.077	20	0		DAADRP
[NH3+]CC12CC(C1)CN2C(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2	ZINC001158185673	779770867	/nfs/dbraw/zinc/77/08/67/779770867.db2.gz	AAMRUUGATNLXFP-IQLKVPPVSA-N	2	0	317.397	-1.126	20	0		DAADRP
CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1	ZINC001158168299	779770968	/nfs/dbraw/zinc/77/09/68/779770968.db2.gz	SNNNZSQBNRXAFH-FRRDWIJNSA-N	2	0	312.414	-1.077	20	0		DAADRP
[NH3+][C@H]1CCCCN(CC(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)C1=O	ZINC001158180128	779770998	/nfs/dbraw/zinc/77/09/98/779770998.db2.gz	VMNILXAMTSWKPF-FRRDWIJNSA-N	2	0	310.398	-1.227	20	0		DAADRP
[NH3+][C@@H](CO)Cc1cncn1-c1ccc(N2CC[NH2+]CC2)nn1	ZINC001158203487	779771315	/nfs/dbraw/zinc/77/13/15/779771315.db2.gz	AJYDVXBRKJZGLR-LLVKDONJSA-N	2	0	303.370	-1.066	20	0		DAADRP
C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1	ZINC001158179300	779771354	/nfs/dbraw/zinc/77/13/54/779771354.db2.gz	JNVGHQONKIZEJU-QNWHQSFQSA-N	2	0	310.398	-1.229	20	0		DAADRP
O=C([C@@H]1C[NH2+]CC[C@@H]1O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158260010	779772299	/nfs/dbraw/zinc/77/22/99/779772299.db2.gz	ASWRCCNBRVAJAK-NEPJUHHUSA-N	2	0	320.397	-1.331	20	0		DAADRP
COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C2	ZINC001158235265	779772388	/nfs/dbraw/zinc/77/23/88/779772388.db2.gz	BDEDCVMVQWFDFF-HUBLWGQQSA-N	2	0	311.382	-1.039	20	0		DAADRP
[NH3+][C@H]1CN[C@H](C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)C1	ZINC001158277662	779772488	/nfs/dbraw/zinc/77/24/88/779772488.db2.gz	REFQPQAEQIHOQT-MNOVXSKESA-N	2	0	305.386	-1.612	20	0		DAADRP
[NH3+][C@@H]1CN[C@H](C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)C1	ZINC001158277663	779772652	/nfs/dbraw/zinc/77/26/52/779772652.db2.gz	REFQPQAEQIHOQT-QWRGUYRKSA-N	2	0	305.386	-1.612	20	0		DAADRP
N[C@]1(C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)CC[NH2+]C1	ZINC001158277492	779772712	/nfs/dbraw/zinc/77/27/12/779772712.db2.gz	PJJQAVORZVCWSJ-CQSZACIVSA-N	2	0	305.386	-1.610	20	0		DAADRP
COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C2	ZINC001158235266	779772839	/nfs/dbraw/zinc/77/28/39/779772839.db2.gz	BDEDCVMVQWFDFF-ZOWXZIJZSA-N	2	0	311.382	-1.039	20	0		DAADRP
O=C([C@@H]1C[NH2+]C[C@H]1O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158277834	779772895	/nfs/dbraw/zinc/77/28/95/779772895.db2.gz	VWLDPPUBKFWIPF-GHMZBOCLSA-N	2	0	306.370	-1.721	20	0		DAADRP
C[NH2+][C@H](C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1)[C@@H](C)O	ZINC001158277939	779772978	/nfs/dbraw/zinc/77/29/78/779772978.db2.gz	YBADGNPEWLAAJT-PWSUYJOCSA-N	2	0	308.386	-1.332	20	0		DAADRP
CN1CC[NH2+]C[C@@H]1C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158277111	779773072	/nfs/dbraw/zinc/77/30/72/779773072.db2.gz	IZOSRARQWYFDBV-GFCCVEGCSA-N	2	0	319.413	-1.397	20	0		DAADRP
O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1C[C@@H]2CC[NH2+][C@@H]2C1	ZINC001158305155	779773095	/nfs/dbraw/zinc/77/30/95/779773095.db2.gz	DRBHCFAKIHOZGN-QJPTWQEYSA-N	2	0	317.397	-1.256	20	0		DAADRP
O=C([C@H]1C[NH2+]C[C@H]1O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158277839	779773137	/nfs/dbraw/zinc/77/31/37/779773137.db2.gz	VWLDPPUBKFWIPF-WDEREUQCSA-N	2	0	306.370	-1.721	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC2(CC1)COCC(=O)N2	ZINC001158326072	779774602	/nfs/dbraw/zinc/77/46/02/779774602.db2.gz	FWSJTUPJQIUJOR-JTQLQIEISA-N	2	0	316.427	-1.487	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1C[NH2+]CC[C@H]1O	ZINC001158496649	779776610	/nfs/dbraw/zinc/77/66/10/779776610.db2.gz	WGRNQGDTNCJNKI-JZRPKSSGSA-N	2	0	311.382	-1.291	20	0		DAADRP
Cn1nnnc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001158486821	779776648	/nfs/dbraw/zinc/77/66/48/779776648.db2.gz	SAQXHNPGSZZPJP-RYUDHWBXSA-N	2	0	323.401	-1.331	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[NH2+]CC[C@H]1O	ZINC001158496651	779776738	/nfs/dbraw/zinc/77/67/38/779776738.db2.gz	WGRNQGDTNCJNKI-OBPIAQAESA-N	2	0	311.382	-1.291	20	0		DAADRP
Cn1nnnc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001158486819	779777048	/nfs/dbraw/zinc/77/70/48/779777048.db2.gz	SAQXHNPGSZZPJP-NEPJUHHUSA-N	2	0	323.401	-1.331	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1	ZINC001158496193	779777061	/nfs/dbraw/zinc/77/70/61/779777061.db2.gz	KXFKOABUFBCYIO-ARFNZGECSA-N	2	0	322.409	-1.312	20	0		DAADRP
[NH3+]C1([C@@H]2CN(C(=O)[C@H]3COC4(C[NH2+]C4)CN3)C[C@@H]2CF)CC1	ZINC001158568965	779777577	/nfs/dbraw/zinc/77/75/77/779777577.db2.gz	UOTJISPUALJRDF-QJPTWQEYSA-N	2	0	312.389	-1.148	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1	ZINC001158579427	779777681	/nfs/dbraw/zinc/77/76/81/779777681.db2.gz	SPLRTISFTMTJSG-VLEAKVRGSA-N	2	0	316.377	-1.654	20	0		DAADRP
COCCN1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1	ZINC001158605354	779777750	/nfs/dbraw/zinc/77/77/50/779777750.db2.gz	WVCHMKAEHJHUNL-AWEZNQCLSA-N	2	0	313.446	-1.473	20	0		DAADRP
O=C([C@H]1NC(=O)CC12C[NH2+]C2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3	ZINC001158535976	779778076	/nfs/dbraw/zinc/77/80/76/779778076.db2.gz	ZYRWVXPQDVRYCA-QQHRNGFRSA-N	2	0	320.393	-1.556	20	0		DAADRP
O=C(N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3)[C@]12C[NH2+]C[C@@H]1CCN2	ZINC001158535567	779778321	/nfs/dbraw/zinc/77/83/21/779778321.db2.gz	XNBICDIOIYTWIS-HGYYMRRCSA-N	2	0	306.410	-1.083	20	0		DAADRP
N[C@@H](C[NH3+])C(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1	ZINC001158659604	779779241	/nfs/dbraw/zinc/77/92/41/779779241.db2.gz	PQQPODLVUQYRPP-JTQLQIEISA-N	2	0	317.353	-1.071	20	0		DAADRP
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)CC2	ZINC001158890184	779781233	/nfs/dbraw/zinc/78/12/33/779781233.db2.gz	BDNRYNJYOGJDKC-JSGCOSHPSA-N	2	0	324.425	-1.088	20	0		DAADRP
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@]1(N)CC[NH2+]C1)CC2	ZINC001158891179	779782269	/nfs/dbraw/zinc/78/22/69/779782269.db2.gz	VOJQSFPCLQAEBX-INIZCTEOSA-N	2	0	323.441	-1.120	20	0		DAADRP
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H]1[NH2+]CC[C@H]1O)CC2	ZINC001158890186	779782291	/nfs/dbraw/zinc/78/22/91/779782291.db2.gz	BDNRYNJYOGJDKC-OCCSQVGLSA-N	2	0	324.425	-1.088	20	0		DAADRP
[NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1	ZINC001158968457	779783524	/nfs/dbraw/zinc/78/35/24/779783524.db2.gz	QXMCZDDTLNFKDC-UPJWGTAASA-N	2	0	320.397	-1.041	20	0		DAADRP
C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[NH2+]C[C@H]2O)C1	ZINC001159132569	779787528	/nfs/dbraw/zinc/78/75/28/779787528.db2.gz	ARZGFNNWFTVGNQ-YNEHKIRRSA-N	2	0	307.398	-1.017	20	0		DAADRP
C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)C1	ZINC001159132567	779788183	/nfs/dbraw/zinc/78/81/83/779788183.db2.gz	ARZGFNNWFTVGNQ-XQQFMLRXSA-N	2	0	307.398	-1.017	20	0		DAADRP
CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@@H](N)C[NH3+])CC1	ZINC001160388865	779805479	/nfs/dbraw/zinc/80/54/79/779805479.db2.gz	PTXKKRSPGYZOBL-LBPRGKRZSA-N	2	0	311.430	-1.182	20	0		DAADRP
CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2	ZINC001160438756	779806486	/nfs/dbraw/zinc/80/64/86/779806486.db2.gz	CDUZGRAISMFYRO-MNOVXSKESA-N	2	0	324.381	-1.924	20	0		DAADRP
CS(=O)(=O)N1CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1	ZINC001160432279	779806854	/nfs/dbraw/zinc/80/68/54/779806854.db2.gz	SMIVCOUYSVTLGF-LLVKDONJSA-N	2	0	304.416	-1.583	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(C)CC1CC[NH+](C)CC1	ZINC001160454640	779807844	/nfs/dbraw/zinc/80/78/44/779807844.db2.gz	PWENAFKIDMBBBU-JQWIXIFHSA-N	2	0	300.403	-1.389	20	0		DAADRP
COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)C[NH2+]CCC[NH3+]	ZINC001160495006	779808117	/nfs/dbraw/zinc/80/81/17/779808117.db2.gz	WCKZNXDCQQEWGA-WCBMZHEXSA-N	2	0	319.383	-1.459	20	0		DAADRP
COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)C[NH2+]CCC[NH3+]	ZINC001160495007	779808504	/nfs/dbraw/zinc/80/85/04/779808504.db2.gz	WCKZNXDCQQEWGA-WPRPVWTQSA-N	2	0	319.383	-1.459	20	0		DAADRP
COC(=O)CN1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1	ZINC001160534494	779811047	/nfs/dbraw/zinc/81/10/47/779811047.db2.gz	JMJCEPSQDCYVPJ-JTQLQIEISA-N	2	0	304.416	-1.677	20	0		DAADRP
O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCN(c2cccnn2)CC1	ZINC001160570620	779811308	/nfs/dbraw/zinc/81/13/08/779811308.db2.gz	NZAJAYZDXYNSMP-GFCCVEGCSA-N	2	0	302.382	-1.066	20	0		DAADRP
CS(=O)(=O)CCCN1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1	ZINC001160585809	779811443	/nfs/dbraw/zinc/81/14/43/779811443.db2.gz	SOBAZOPNODGNKW-GFCCVEGCSA-N	2	0	320.459	-1.369	20	0		DAADRP
COC(=O)C[C@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CCO1	ZINC001160595495	779812318	/nfs/dbraw/zinc/81/23/18/779812318.db2.gz	CPGWTRYUCMNXOF-UWVGGRQHSA-N	2	0	305.400	-1.204	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(CCF)CC1	ZINC001160629947	779812517	/nfs/dbraw/zinc/81/25/17/779812517.db2.gz	VSEUFNYANCUIDD-CYBMUJFWSA-N	2	0	301.410	-1.150	20	0		DAADRP
O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC(N2CCNC(=O)C2)C1	ZINC001160637800	779813248	/nfs/dbraw/zinc/81/32/48/779813248.db2.gz	TYOVZGKPRNWZNF-ZDUSSCGKSA-N	2	0	321.425	-1.497	20	0		DAADRP
O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCN(C2CCOCC2)C(=O)C1	ZINC001160637144	779813973	/nfs/dbraw/zinc/81/39/73/779813973.db2.gz	RSBPHEORJHTPBJ-CYBMUJFWSA-N	2	0	322.409	-1.355	20	0		DAADRP
[NH3+][C@@H]1CCN(C(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)C[C@H]1O	ZINC001160653218	779814470	/nfs/dbraw/zinc/81/44/70/779814470.db2.gz	ZAULSZLBHNEWFB-IJLUTSLNSA-N	2	0	320.397	-1.550	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1)C(N)=O	ZINC001160650149	779814683	/nfs/dbraw/zinc/81/46/83/779814683.db2.gz	RWYNNZYHBMMZDK-AXTSPUMRSA-N	2	0	317.365	-2.018	20	0		DAADRP
CS(=O)(=O)NC1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1	ZINC001160658582	779815046	/nfs/dbraw/zinc/81/50/46/779815046.db2.gz	WXFMCWBYJHRFQN-NSHDSACASA-N	2	0	316.427	-1.379	20	0		DAADRP
C[N@@H+]1C[C@@H](C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)OC2(CC[NH2+]CC2)C1	ZINC001160652523	779815357	/nfs/dbraw/zinc/81/53/57/779815357.db2.gz	FJKDQZHBUNZOAX-UPJWGTAASA-N	3	0	312.414	-1.640	20	0		DAADRP
[NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1	ZINC001160654794	779815748	/nfs/dbraw/zinc/81/57/48/779815748.db2.gz	BZKDHEBCWCQRHI-HZSPNIEDSA-N	2	0	320.393	-1.407	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[NH+]2CCC1CC2	ZINC001160725547	779817012	/nfs/dbraw/zinc/81/70/12/779817012.db2.gz	CFNZWHBXMLQEGH-UHFFFAOYSA-N	2	0	304.416	-1.487	20	0		DAADRP
[NH3+][C@H](C(=O)N1CCC2(CC1)CNC(=O)CO2)C1CC[NH2+]CC1	ZINC001160771879	779818594	/nfs/dbraw/zinc/81/85/94/779818594.db2.gz	ILILLJPZGPTGID-ZDUSSCGKSA-N	2	0	310.398	-1.179	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[NH2+]CCO3)C[C@H]1C2	ZINC001160791700	779819693	/nfs/dbraw/zinc/81/96/93/779819693.db2.gz	ACNFBCRMFAKYHV-FSPSUXSGSA-N	2	0	323.393	-1.168	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@H]1C2	ZINC001160792122	779819813	/nfs/dbraw/zinc/81/98/13/779819813.db2.gz	PTHSXDWTYPXQBV-FSPSUXSGSA-N	3	0	324.425	-1.090	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[NH2+]C[C@H]3O)C[C@H]1C2	ZINC001160795722	779819968	/nfs/dbraw/zinc/81/99/68/779819968.db2.gz	YOOCSWPORNYNBB-LBHFADQZSA-N	2	0	323.393	-1.576	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)C[C@H]1C2	ZINC001160794907	779820042	/nfs/dbraw/zinc/82/00/42/779820042.db2.gz	ROYJFTSHXACWOU-TXACCCEWSA-N	2	0	322.409	-1.467	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[C@H]([NH3+])CN3)C[C@H]1C2	ZINC001160797683	779820289	/nfs/dbraw/zinc/82/02/89/779820289.db2.gz	ROYJFTSHXACWOU-RQXQIDNZSA-N	2	0	322.409	-1.467	20	0		DAADRP
CCOC(=O)[C@]12CN(C(=O)[C@H]3[NH2+]CC[C@H]3O)C[C@H]1C[NH2+]CC2	ZINC001160813572	779820455	/nfs/dbraw/zinc/82/04/55/779820455.db2.gz	AIEHTBIZYUXOLE-MCYUEQNJSA-N	2	0	311.382	-1.290	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)C[C@H]1C2	ZINC001160795724	779820481	/nfs/dbraw/zinc/82/04/81/779820481.db2.gz	YOOCSWPORNYNBB-OWTPDKHXSA-N	2	0	323.393	-1.576	20	0		DAADRP
CCOC(=O)[C@]12CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@H]1C[NH2+]CC2	ZINC001160810839	779820507	/nfs/dbraw/zinc/82/05/07/779820507.db2.gz	IBWJAJAAVWGXBK-RTWAVKEYSA-N	2	0	311.382	-1.290	20	0		DAADRP
C[NH+](C)C[C@H]1COCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001160838805	779821048	/nfs/dbraw/zinc/82/10/48/779821048.db2.gz	MAFWNCOXUHGIQO-UONOGXRCSA-N	3	0	313.446	-1.474	20	0		DAADRP
C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]([NH3+])CCCNC(N)=O	ZINC001160838852	779822032	/nfs/dbraw/zinc/82/20/32/779822032.db2.gz	OVQZOWYVGKXQSQ-GHMZBOCLSA-N	2	0	301.391	-1.449	20	0		DAADRP
COC(=O)c1cn2c(n1)CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC2	ZINC001160902042	779823443	/nfs/dbraw/zinc/82/34/43/779823443.db2.gz	KLHMVSVRHOBTAG-SNVBAGLBSA-N	2	0	319.365	-1.179	20	0		DAADRP
O=C([C@H]1COC2(C[NH2+]C2)CN1)N(c1ncccn1)C1C[NH2+]C1	ZINC001160915862	779823458	/nfs/dbraw/zinc/82/34/58/779823458.db2.gz	PSEPSBHQHQYLDV-LLVKDONJSA-N	2	0	304.354	-1.888	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC(O)([C@H]2CCCC[NH2+]2)C1	ZINC001161006859	779824208	/nfs/dbraw/zinc/82/42/08/779824208.db2.gz	GFSXQJGSQOVAGV-NWDGAFQWSA-N	2	0	310.398	-1.430	20	0		DAADRP
[NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1	ZINC001161008496	779824647	/nfs/dbraw/zinc/82/46/47/779824647.db2.gz	PEGROVATJMNABE-RYUDHWBXSA-N	2	0	310.398	-1.349	20	0		DAADRP
C[C@@H]1CN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)CC[NH2+]1	ZINC001161014396	779824979	/nfs/dbraw/zinc/82/49/79/779824979.db2.gz	CSEPUSHZKNKQSP-MNOVXSKESA-N	2	0	305.386	-1.256	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1	ZINC001161010129	779825320	/nfs/dbraw/zinc/82/53/20/779825320.db2.gz	ZJQKXXRQNXDCDR-GARJFASQSA-N	2	0	314.386	-2.474	20	0		DAADRP
CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1	ZINC001161006909	779825472	/nfs/dbraw/zinc/82/54/72/779825472.db2.gz	GXYCKOVEEOCKGL-UPJWGTAASA-N	2	0	311.382	-1.147	20	0		DAADRP
CCOC(=O)[C@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001161093104	779826295	/nfs/dbraw/zinc/82/62/95/779826295.db2.gz	IEMBKNMBZWJSCF-LALPHHSUSA-N	2	0	311.382	-1.024	20	0		DAADRP
CCOC(=O)[C@H]1COCCN1C(=O)[C@@H]([NH3+])CSCC[NH3+]	ZINC001161093765	779826803	/nfs/dbraw/zinc/82/68/03/779826803.db2.gz	WPKXGKHKLNJQLJ-VHSXEESVSA-N	2	0	305.400	-1.204	20	0		DAADRP
COC(=O)[C@]1(N)CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1	ZINC001161138531	779827510	/nfs/dbraw/zinc/82/75/10/779827510.db2.gz	UVBACQYDALKXQF-ABAIWWIYSA-N	2	0	310.398	-1.037	20	0		DAADRP
COC(=O)[C@]1(N)CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1	ZINC001161139640	779828390	/nfs/dbraw/zinc/82/83/90/779828390.db2.gz	ZMDRLYSLVHATHE-FZMZJTMJSA-N	2	0	313.402	-2.160	20	0		DAADRP
CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1NC(=O)CC12C[NH2+]C2	ZINC001161158582	779829361	/nfs/dbraw/zinc/82/93/61/779829361.db2.gz	YDFCWTRTDWXFJP-GFCCVEGCSA-N	2	0	312.370	-1.795	20	0		DAADRP
CCOC(=O)CN(CCC[NH3+])C(=O)CNC(=O)[C@@H]1CCC[NH2+]1	ZINC001161158965	779829759	/nfs/dbraw/zinc/82/97/59/779829759.db2.gz	RQHNOJPNYHNTJL-NSHDSACASA-N	2	0	314.386	-1.405	20	0		DAADRP
CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]([NH3+])CC[S@@](C)=O	ZINC001161157810	779829792	/nfs/dbraw/zinc/82/97/92/779829792.db2.gz	KJKUTWRBYWSFKS-WVDJIFEKSA-N	2	0	307.416	-1.177	20	0		DAADRP
[NH3+]C[C@]1(F)CCN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C1	ZINC001161239917	779830425	/nfs/dbraw/zinc/83/04/25/779830425.db2.gz	UTOVUJQQBSNKEI-GXFFZTMASA-N	2	0	323.376	-1.177	20	0		DAADRP
C[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)C[C@H](C)[NH2+]1	ZINC001161229080	779830431	/nfs/dbraw/zinc/83/04/31/779830431.db2.gz	BXIUBMKLGMVUBS-DCAQKATOSA-N	2	0	301.412	-1.028	20	0		DAADRP
O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1Cc2ccnn2CC[C@@H]1CO	ZINC001161170082	779830486	/nfs/dbraw/zinc/83/04/86/779830486.db2.gz	ISJBDMDINIMKGS-OLZOCXBDSA-N	2	0	305.382	-1.215	20	0		DAADRP
[NH3+]C[C@]1(F)CCN(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)C1	ZINC001161240080	779830873	/nfs/dbraw/zinc/83/08/73/779830873.db2.gz	VXKLVEBVWYJGQQ-MWLCHTKSSA-N	2	0	305.375	-1.338	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@](F)(C[NH3+])C1	ZINC001161247084	779831185	/nfs/dbraw/zinc/83/11/85/779831185.db2.gz	WFSCBMBKJQDAAC-UBJUHAIHSA-N	2	0	303.338	-2.407	20	0		DAADRP
C[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)C[C@H](C)[NH2+]1	ZINC001161229081	779831331	/nfs/dbraw/zinc/83/13/31/779831331.db2.gz	BXIUBMKLGMVUBS-GARJFASQSA-N	2	0	301.412	-1.028	20	0		DAADRP
O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1Cc2ccnn2CC[C@H]1CO	ZINC001161170084	779831576	/nfs/dbraw/zinc/83/15/76/779831576.db2.gz	ISJBDMDINIMKGS-QWHCGFSZSA-N	2	0	305.382	-1.215	20	0		DAADRP
CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])[C@H]1CCC[NH2+]C1	ZINC001161342235	779834484	/nfs/dbraw/zinc/83/44/84/779834484.db2.gz	ZZHHSPRRYKDLRE-DCAQKATOSA-N	2	0	313.402	-1.706	20	0		DAADRP
[NH3+]CCNC(=O)/C=C/C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1	ZINC001161378912	779835313	/nfs/dbraw/zinc/83/53/13/779835313.db2.gz	NXZBSTCEINAXSB-ZIYVKSGCSA-N	2	0	309.414	-1.359	20	0		DAADRP
[NH3+]C1CCN([C@H]2CCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C2)CC1	ZINC001161379970	779835420	/nfs/dbraw/zinc/83/54/20/779835420.db2.gz	SKAFVKCWYUAKHH-KBPBESRZSA-N	3	0	307.442	-1.181	20	0		DAADRP
[NH3+]C1CCN([C@@H]2CCN(C(=O)[C@H]3NC(=O)CC34C[NH2+]C4)C2)CC1	ZINC001161380357	779835534	/nfs/dbraw/zinc/83/55/34/779835534.db2.gz	UXVRGGTVTPAKCQ-TZMCWYRMSA-N	2	0	321.425	-1.512	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1	ZINC001161412035	779835566	/nfs/dbraw/zinc/83/55/66/779835566.db2.gz	FICACROSPJPGLP-AXFHLTTASA-N	2	0	304.416	-1.598	20	0		DAADRP
C[NH+](C)CCN(C(=O)/C=C/C(=O)NCC[NH3+])[C@@H]1CCC[NH2+]C1	ZINC001161443258	779836829	/nfs/dbraw/zinc/83/68/29/779836829.db2.gz	OBYIHNIRSLQQQD-URWSZGRFSA-N	3	0	311.430	-1.240	20	0		DAADRP
C[NH+](C)CCN(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)[C@H]1CCC[NH2+]C1	ZINC001161446596	779837156	/nfs/dbraw/zinc/83/71/56/779837156.db2.gz	SUENFOXUVSGTKY-UONOGXRCSA-N	4	0	309.458	-1.062	20	0		DAADRP
C[NH+](C)CCN(C(=O)/C=C/C(=O)NCC[NH3+])[C@H]1CCC[NH2+]C1	ZINC001161443257	779837246	/nfs/dbraw/zinc/83/72/46/779837246.db2.gz	OBYIHNIRSLQQQD-GFUIURDCSA-N	3	0	311.430	-1.240	20	0		DAADRP
C[NH+](C)CCN(C(=O)[C@@H]([NH3+])Cc1nnn[n-]1)[C@H]1CCC[NH2+]C1	ZINC001161443601	779837473	/nfs/dbraw/zinc/83/74/73/779837473.db2.gz	ZGMADGHVIRDJSU-QWRGUYRKSA-N	2	0	310.406	-1.788	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C1(N)CC[NH2+]CC1)CC2	ZINC001161477444	779838143	/nfs/dbraw/zinc/83/81/43/779838143.db2.gz	IHSMNGPPKRVUKI-RISCZKNCSA-N	2	0	310.398	-1.179	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC2	ZINC001161478360	779838276	/nfs/dbraw/zinc/83/82/76/779838276.db2.gz	MAGZSLVZOBWZQX-HSMVNMDESA-N	3	0	322.409	-1.451	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1CCN3)CC2	ZINC001161478654	779838461	/nfs/dbraw/zinc/83/84/61/779838461.db2.gz	NGXVKZIURXRXAG-MPTQWLOMSA-N	2	0	322.409	-1.309	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)CN1CC[NH2+]CC1)CC2	ZINC001161477018	779838566	/nfs/dbraw/zinc/83/85/66/779838566.db2.gz	GLFGGXISKBDNRJ-DOMZBBRYSA-N	2	0	310.398	-1.355	20	0		DAADRP
COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)C1(N)CC[NH2+]CC1)CC2	ZINC001161477445	779838919	/nfs/dbraw/zinc/83/89/19/779838919.db2.gz	IHSMNGPPKRVUKI-SMDDNHRTSA-N	2	0	310.398	-1.179	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC2	ZINC001161478364	779838954	/nfs/dbraw/zinc/83/89/54/779838954.db2.gz	MAGZSLVZOBWZQX-WQGACYEGSA-N	3	0	322.409	-1.451	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)CC2	ZINC001161478746	779839001	/nfs/dbraw/zinc/83/90/01/779839001.db2.gz	NXDWAROVEZWPIJ-WKIHFJMMSA-N	2	0	322.409	-1.310	20	0		DAADRP
COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)CC2	ZINC001161478739	779839033	/nfs/dbraw/zinc/83/90/33/779839033.db2.gz	NXDWAROVEZWPIJ-CQUYNDQOSA-N	2	0	322.409	-1.310	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C1(N)CC[NH2+]CC1)CC2	ZINC001161477443	779839107	/nfs/dbraw/zinc/83/91/07/779839107.db2.gz	IHSMNGPPKRVUKI-FZMZJTMJSA-N	2	0	310.398	-1.179	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@]1(N)CCC[NH2+]C1)CC2	ZINC001161478108	779839300	/nfs/dbraw/zinc/83/93/00/779839300.db2.gz	KOMNRLCTHWBOBN-TUKIKUTGSA-N	2	0	310.398	-1.179	20	0		DAADRP
C[N@@H+]1C[C@@H](C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)OC2(CC[NH2+]CC2)C1	ZINC001161510658	779839966	/nfs/dbraw/zinc/83/99/66/779839966.db2.gz	QOWKESMXYJYGAW-QWHCGFSZSA-N	3	0	324.425	-1.375	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[NH2+]CCN1C)CC2	ZINC001161481417	779839983	/nfs/dbraw/zinc/83/99/83/779839983.db2.gz	SLCBXSWADJFTRE-ZOWXZIJZSA-N	2	0	310.398	-1.356	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1C[NH2+]CCN1C)CC2	ZINC001161481416	779840631	/nfs/dbraw/zinc/84/06/31/779840631.db2.gz	SLCBXSWADJFTRE-XUJVJEKNSA-N	2	0	310.398	-1.356	20	0		DAADRP
CO[C@@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)C[C@@H]1[NH3+]	ZINC001161493325	779840829	/nfs/dbraw/zinc/84/08/29/779840829.db2.gz	LBLABPUYZMGXSJ-MELADBBJSA-N	2	0	320.393	-1.143	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1C[NH2+]CC[C@H]1O)CC2	ZINC001161481299	779840936	/nfs/dbraw/zinc/84/09/36/779840936.db2.gz	XMIUDIARSYTJGT-YFCNSXCBSA-N	2	0	311.382	-1.290	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C1=NO[C@@H]3C[NH2+]C[C@H]13)CC2	ZINC001161480883	779841077	/nfs/dbraw/zinc/84/10/77/779841077.db2.gz	VPXWMWFVUKUKLH-SQYUCLKFSA-N	2	0	322.365	-1.286	20	0		DAADRP
C[N@H+](C1CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1)[C@H]1CCOC1	ZINC001161499102	779841087	/nfs/dbraw/zinc/84/10/87/779841087.db2.gz	NRHSDTAIDDAKDK-WCQYABFASA-N	2	0	310.398	-1.752	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@H]([NH3+])C2(COC2)C1	ZINC001161510867	779841758	/nfs/dbraw/zinc/84/17/58/779841758.db2.gz	UGMXSXFBXRPEJM-VIFPVBQESA-N	2	0	306.388	-2.607	20	0		DAADRP
[NH3+][C@H]1CN(C(=O)c2cnc(N3CC[NH2+]CC3)cn2)CC12COC2	ZINC001161511182	779842184	/nfs/dbraw/zinc/84/21/84/779842184.db2.gz	YCCAIXFPLSGUNT-LBPRGKRZSA-N	2	0	318.381	-1.314	20	0		DAADRP
CC(=O)NCSC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])C2(COC2)C1	ZINC001161511003	779842479	/nfs/dbraw/zinc/84/24/79/779842479.db2.gz	USRACPSJOMRXKC-UWVGGRQHSA-N	2	0	302.400	-1.673	20	0		DAADRP
O=C(NCCC[NH2+][C@H]1CCNC1=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001162872261	779862600	/nfs/dbraw/zinc/86/26/00/779862600.db2.gz	MHWGDGZNGOYOSF-BTJONVMOSA-N	2	0	322.409	-1.166	20	0		DAADRP
C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C(N)=O	ZINC001162872209	779863006	/nfs/dbraw/zinc/86/30/06/779863006.db2.gz	KMUGQIZGOKEUIF-DILZAHMFSA-N	2	0	310.398	-1.181	20	0		DAADRP
O=C(NCCC[NH2+][C@@H]1CCNC1=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001162872264	779863166	/nfs/dbraw/zinc/86/31/66/779863166.db2.gz	MHWGDGZNGOYOSF-WULFKBJJSA-N	2	0	322.409	-1.166	20	0		DAADRP
O=C(NCCC[NH2+][C@@H]1CCNC1=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001162872263	779863512	/nfs/dbraw/zinc/86/35/12/779863512.db2.gz	MHWGDGZNGOYOSF-LGESCRJUSA-N	2	0	322.409	-1.166	20	0		DAADRP
CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001162872031	779863680	/nfs/dbraw/zinc/86/36/80/779863680.db2.gz	DMICBVFHJPBWTE-AVERBVTBSA-N	2	0	310.398	-1.309	20	0		DAADRP
O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccnc(N3CC[NH2+]CC3)n2)N1	ZINC001163237974	779865279	/nfs/dbraw/zinc/86/52/79/779865279.db2.gz	KKSOFPCTOUGODD-IINYFYTJSA-N	2	0	303.370	-1.124	20	0		DAADRP
O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2nccc(N3CC[NH2+]CC3)n2)N1	ZINC001163241063	779865845	/nfs/dbraw/zinc/86/58/45/779865845.db2.gz	YRMYBIMKLABPJU-IINYFYTJSA-N	2	0	303.370	-1.124	20	0		DAADRP
C[C@@H]1CN(c2ccc(N(C)S(=O)(=O)CC[NH3+])nn2)CC[NH2+]1	ZINC001164286999	779878353	/nfs/dbraw/zinc/87/83/53/779878353.db2.gz	HBPQMIFWWNBNKB-SNVBAGLBSA-N	2	0	314.415	-1.001	20	0		DAADRP
CNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1	ZINC001164535734	779878951	/nfs/dbraw/zinc/87/89/51/779878951.db2.gz	CUWWGFYZYDXACL-GFCCVEGCSA-N	2	0	300.403	-1.063	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCC[NH+](C)C	ZINC001165366680	779882523	/nfs/dbraw/zinc/88/25/23/779882523.db2.gz	DOEQRLDGTMXPDC-UHFFFAOYSA-N	2	0	301.391	-1.120	20	0		DAADRP
OC[C@@]12C[NH2+]C[C@@H]1CN(c1ccc(N3CC[NH2+]CC3)nn1)C2	ZINC001165283901	779882746	/nfs/dbraw/zinc/88/27/46/779882746.db2.gz	ONHLITHLYZLGJT-DOMZBBRYSA-N	2	0	304.398	-1.096	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001166667923	779892443	/nfs/dbraw/zinc/89/24/43/779892443.db2.gz	LKNAUPWYWPCLNV-LLVKDONJSA-N	2	0	313.402	-1.120	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1	ZINC001209447093	779952088	/nfs/dbraw/zinc/95/20/88/779952088.db2.gz	XAYANRTUYYJTCB-LLVKDONJSA-N	2	0	313.402	-1.026	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001210684445	779963000	/nfs/dbraw/zinc/96/30/00/779963000.db2.gz	GLBXTJWFMMMTIQ-LLVKDONJSA-N	2	0	323.397	-1.142	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001211065744	779967017	/nfs/dbraw/zinc/96/70/17/779967017.db2.gz	ZDLWAZXCYAUUIA-GHMZBOCLSA-N	2	0	311.386	-1.286	20	0		DAADRP
CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C	ZINC001214952606	780003936	/nfs/dbraw/zinc/00/39/36/780003936.db2.gz	CZCIIPGKPOSOLQ-GMTAPVOTSA-N	2	0	313.402	-1.042	20	0		DAADRP
C[C@@H]([NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(N)=O	ZINC001216402204	780012738	/nfs/dbraw/zinc/01/27/38/780012738.db2.gz	XXGPGYWETCWJJI-IJLUTSLNSA-N	2	0	300.403	-1.125	20	0		DAADRP
C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+][C@@H]1CCNC1=O	ZINC001216401577	780012896	/nfs/dbraw/zinc/01/28/96/780012896.db2.gz	NBSWLUBBWCBWGS-JHJVBQTASA-N	2	0	312.414	-1.110	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ncnc2n[nH]nc21	ZINC001218515977	780030873	/nfs/dbraw/zinc/03/08/73/780030873.db2.gz	PNNWUUXGBSTPTI-MRVPVSSYSA-N	2	0	305.346	-1.563	20	0		DAADRP
Cn1nnnc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC001218496189	780031642	/nfs/dbraw/zinc/03/16/42/780031642.db2.gz	JHVWVJBOEKIOSQ-UWVGGRQHSA-N	2	0	324.389	-1.404	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1c[nH+]ccc1N(C)C	ZINC001218562834	780033126	/nfs/dbraw/zinc/03/31/26/780033126.db2.gz	CNYOOFOMKHXNLK-IUCAKERBSA-N	2	0	322.369	-1.207	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cnn(C2C[NH2+]C2)c1	ZINC001218640516	780036415	/nfs/dbraw/zinc/03/64/15/780036415.db2.gz	ISFRMPVAGFFNSU-XVKPBYJWSA-N	2	0	323.357	-2.327	20	0		DAADRP
Nc1cn(C(=O)[C@@H](N)CC[NH3+])ccc1=[NH+]CCN1CCOCC1	ZINC001218619175	780037905	/nfs/dbraw/zinc/03/79/05/780037905.db2.gz	AMHDXHVBTZXPHT-LBPRGKRZSA-N	2	0	322.413	-1.381	20	0		DAADRP
NC(=O)c1nccnc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001218618570	780038034	/nfs/dbraw/zinc/03/80/34/780038034.db2.gz	RIZJITJKBZBSTA-VIFPVBQESA-N	2	0	307.358	-1.736	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)Nc1cncc(C[NH3+])c1)C(N)=O	ZINC001218705130	780039088	/nfs/dbraw/zinc/03/90/88/780039088.db2.gz	IZQISWJWAOVROX-GZMMTYOYSA-N	2	0	322.369	-1.424	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cncc(C[NH3+])c1	ZINC001218705559	780039862	/nfs/dbraw/zinc/03/98/62/780039862.db2.gz	UHEATXXQGRZFRC-XVKPBYJWSA-N	2	0	308.342	-1.814	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)n1ccc(=[NH2+])c(N)c1)C(N)=O	ZINC001218693757	780039989	/nfs/dbraw/zinc/03/99/89/780039989.db2.gz	NWULYLBYVJEAJM-OIBJUYFYSA-N	2	0	308.342	-1.713	20	0		DAADRP
NS(=O)(=O)c1cncc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c1	ZINC001218751094	780040368	/nfs/dbraw/zinc/04/03/68/780040368.db2.gz	QIKMSFAHQXEUQX-NSHDSACASA-N	2	0	313.383	-1.006	20	0		DAADRP
CCc1c(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c(C(N)=O)nn1C	ZINC001218788470	780041470	/nfs/dbraw/zinc/04/14/70/780041470.db2.gz	PSNUYDUPVNLLAX-QMMMGPOBSA-N	2	0	306.370	-1.171	20	0		DAADRP
O=C(CCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)N1CCOCC1	ZINC001219572962	780119487	/nfs/dbraw/zinc/11/94/87/780119487.db2.gz	CRHDNZYWOGJCHI-IUODEOHRSA-N	2	0	310.398	-1.449	20	0		DAADRP
O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1NC(=O)CC12C[NH2+]C2	ZINC001219609764	780123976	/nfs/dbraw/zinc/12/39/76/780123976.db2.gz	DHEIYIULCSHFAK-KCJUWKMLSA-N	2	0	306.288	-1.125	20	0		DAADRP
O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1	ZINC001219617637	780125423	/nfs/dbraw/zinc/12/54/23/780125423.db2.gz	NIUIEFNOGNUFRL-BYNIDDHOSA-N	2	0	301.362	-1.068	20	0		DAADRP
O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)NC[C@]1(O)CC[NH2+]C[C@@H]1F	ZINC001219617630	780125520	/nfs/dbraw/zinc/12/55/20/780125520.db2.gz	NDOXDAOLXPPJJU-ILOGHGLZSA-N	2	0	301.362	-1.068	20	0		DAADRP
C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F	ZINC001219619529	780126605	/nfs/dbraw/zinc/12/66/05/780126605.db2.gz	JEEZYMQYIZQKBH-AYGWYOGXSA-N	2	0	316.377	-1.497	20	0		DAADRP
C[NH2+][C@@H]1CCCN(CC(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1	ZINC001219622370	780126686	/nfs/dbraw/zinc/12/66/86/780126686.db2.gz	UFLMSGOIAJZYOW-MBNYWOFBSA-N	2	0	302.394	-1.151	20	0		DAADRP
CC(=O)NCSC[C@H]([NH3+])C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F	ZINC001219619990	780127174	/nfs/dbraw/zinc/12/71/74/780127174.db2.gz	SXWJWTZGTJMURR-JBLDHEPKSA-N	2	0	322.406	-1.681	20	0		DAADRP
[NH3+]CCC[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CCNCC1	ZINC001219676123	780130320	/nfs/dbraw/zinc/13/03/20/780130320.db2.gz	ADULBLQZAPUTPU-JTQLQIEISA-N	2	0	307.420	-2.596	20	0		DAADRP
C[C@@H]1C[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)C[NH2+]1	ZINC001219684351	780133592	/nfs/dbraw/zinc/13/35/92/780133592.db2.gz	MXOAYNHZWCHZMX-GMTAPVOTSA-N	2	0	301.412	-1.123	20	0		DAADRP
CN(C(=O)CCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C1CC1	ZINC001219692499	780135606	/nfs/dbraw/zinc/13/56/06/780135606.db2.gz	BQYXATKHGYGHFC-CYBMUJFWSA-N	2	0	311.430	-1.136	20	0		DAADRP
CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCCC1(O)C[NH2+]C1	ZINC001219697229	780135749	/nfs/dbraw/zinc/13/57/49/780135749.db2.gz	PWGQQUYSRMUVTB-QWRGUYRKSA-N	2	0	300.403	-1.295	20	0		DAADRP
O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2	ZINC001219712773	780136027	/nfs/dbraw/zinc/13/60/27/780136027.db2.gz	WFCUZPAULMROLI-QJPTWQEYSA-N	2	0	305.382	-1.417	20	0		DAADRP
O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12	ZINC001219711807	780136323	/nfs/dbraw/zinc/13/63/23/780136323.db2.gz	IEPJVTZAJSKAHU-XNIJJKJLSA-N	2	0	316.361	-1.455	20	0		DAADRP
[NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N[C@@H]1COC[C@@H]1[NH3+]	ZINC001219719914	780137827	/nfs/dbraw/zinc/13/78/27/780137827.db2.gz	ADNVXPNULDIJNK-JBLDHEPKSA-N	2	0	322.369	-1.844	20	0		DAADRP
[NH3+][C@H]1COC[C@H]1NC(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O	ZINC001219719920	780137880	/nfs/dbraw/zinc/13/78/80/780137880.db2.gz	AJVKIWZBKOYVDI-XDQVBPFNSA-N	2	0	316.361	-1.059	20	0		DAADRP
C[C@]1(C(=O)NCc2nnc3n2CCC[NH2+]C3)CC[NH2+]C[C@@H]1O	ZINC001219748792	780140497	/nfs/dbraw/zinc/14/04/97/780140497.db2.gz	CLKOVHZXMYRPBQ-HZMBPMFUSA-N	2	0	308.386	-1.252	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1	ZINC001219739042	780140657	/nfs/dbraw/zinc/14/06/57/780140657.db2.gz	GABSUDSSXCRTKH-CHWSQXEVSA-N	3	0	311.430	-1.769	20	0		DAADRP
C[C@@]1(C(=O)NCc2nnc3n2CCC[NH2+]C3)CC[NH2+]C[C@@H]1O	ZINC001219748793	780140820	/nfs/dbraw/zinc/14/08/20/780140820.db2.gz	CLKOVHZXMYRPBQ-IINYFYTJSA-N	2	0	308.386	-1.252	20	0		DAADRP
O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1NC(=O)CC12C[NH2+]C2	ZINC001219741361	780141061	/nfs/dbraw/zinc/14/10/61/780141061.db2.gz	HYVRUPOWQQOISB-YPMHNXCESA-N	2	0	322.409	-1.118	20	0		DAADRP
CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1	ZINC001219739294	780141436	/nfs/dbraw/zinc/14/14/36/780141436.db2.gz	LCERBRUFQUHFRU-GVXVVHGQSA-N	2	0	312.414	-1.029	20	0		DAADRP
O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1COC2(C[NH2+]C2)CN1	ZINC001219741799	780141516	/nfs/dbraw/zinc/14/15/16/780141516.db2.gz	UTPWIOZYKPIXSN-QWHCGFSZSA-N	2	0	324.425	-1.266	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1	ZINC001219739124	780141556	/nfs/dbraw/zinc/14/15/56/780141556.db2.gz	HSIJBTWSLHKESY-AEJSXWLSSA-N	2	0	300.359	-2.695	20	0		DAADRP
O=C(NCc1nnc2n1CCC[NH2+]C2)[C@]12C[NH2+]C[C@H]1COC2	ZINC001219749993	780142973	/nfs/dbraw/zinc/14/29/73/780142973.db2.gz	TYAUEDILNQOPBW-HZMBPMFUSA-N	2	0	306.370	-1.376	20	0		DAADRP
O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@]12C[NH2+]C[C@H]1CCN2	ZINC001219750202	780143080	/nfs/dbraw/zinc/14/30/80/780143080.db2.gz	XGVRGOXWXTWTKX-QMTHXVAHSA-N	2	0	305.386	-1.661	20	0		DAADRP
C[S@@](=O)CC[C@H]([NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2	ZINC001219750224	780143102	/nfs/dbraw/zinc/14/31/02/780143102.db2.gz	XZVSPVIOXGILBZ-JLTPVHFHSA-N	2	0	314.415	-1.517	20	0		DAADRP
O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001219764564	780144773	/nfs/dbraw/zinc/14/47/73/780144773.db2.gz	ICFVWNZTFFXMGS-HGTKMLMNSA-N	3	0	307.442	-1.405	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@]1(F)CCC[NH2+]C1	ZINC001219771980	780146095	/nfs/dbraw/zinc/14/60/95/780146095.db2.gz	VBRPHPZUFKJKAO-JSGCOSHPSA-N	3	0	301.410	-1.055	20	0		DAADRP
CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1	ZINC001219766535	780146821	/nfs/dbraw/zinc/14/68/21/780146821.db2.gz	VWPKCGSLVYJODE-XJFOESAGSA-N	2	0	310.398	-1.453	20	0		DAADRP
O=C(NC[C@]1(F)CCC[NH2+]C1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2	ZINC001219768303	780147032	/nfs/dbraw/zinc/14/70/32/780147032.db2.gz	LSOAYCZMCBFPRR-PWSUYJOCSA-N	2	0	319.402	-1.029	20	0		DAADRP
O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1NC(=O)CC12C[NH2+]C2	ZINC001219801109	780147623	/nfs/dbraw/zinc/14/76/23/780147623.db2.gz	SMYPYFJVQNDRFR-PWSUYJOCSA-N	2	0	308.382	-1.651	20	0		DAADRP
COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1	ZINC001219802652	780147701	/nfs/dbraw/zinc/14/77/01/780147701.db2.gz	YUQRVYWFUNFSSL-UPJWGTAASA-N	2	0	315.414	-1.361	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC[C@@H]1CCOC12C[NH2+]C2	ZINC001219802682	780148162	/nfs/dbraw/zinc/14/81/62/780148162.db2.gz	ABCRRPKYXOAJPR-NEPJUHHUSA-N	2	0	310.398	-1.261	20	0		DAADRP
C[S@@](=O)CC[C@H]([NH3+])C(=O)NCC[C@H]1CCOC12C[NH2+]C2	ZINC001219801391	780148283	/nfs/dbraw/zinc/14/82/83/780148283.db2.gz	YXRODLZRYFDYHB-SULUTDIPSA-N	2	0	303.428	-1.033	20	0		DAADRP
O=C(NCc1noc2c1C[NH2+]CC2)[C@@H]1NC(=O)CC12C[NH2+]C2	ZINC001219809622	780150543	/nfs/dbraw/zinc/15/05/43/780150543.db2.gz	OKMOCJNETLIDHB-LBPRGKRZSA-N	2	0	305.338	-1.585	20	0		DAADRP
O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1C[NH2+]Cc2ccnn2C1	ZINC001219812522	780150985	/nfs/dbraw/zinc/15/09/85/780150985.db2.gz	DDRIINRBFYNRPQ-XUJVJEKNSA-N	2	0	305.382	-1.045	20	0		DAADRP
[NH3+][C@H]1CCCCN(CC(=O)NC[C@]23C[NH2+]C[C@H]2COC3)C1=O	ZINC001219813625	780151015	/nfs/dbraw/zinc/15/10/15/780151015.db2.gz	XODUZCWUCDTCDK-HUBLWGQQSA-N	2	0	310.398	-1.322	20	0		DAADRP
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@]12C[NH2+]C[C@H]1COC2	ZINC001219815447	780151540	/nfs/dbraw/zinc/15/15/40/780151540.db2.gz	ZYFMTSHDCYVLTA-YFCNSXCBSA-N	2	0	311.382	-1.263	20	0		DAADRP
[NH3+]CC(=O)N1CCC[C@H]1C(=O)NCc1noc2c1C[NH2+]CC2	ZINC001219811493	780151702	/nfs/dbraw/zinc/15/17/02/780151702.db2.gz	TXGREZSFSCIGPR-NSHDSACASA-N	2	0	307.354	-1.114	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2	ZINC001219814382	780152176	/nfs/dbraw/zinc/15/21/76/780152176.db2.gz	BPZJOTLHYIWARL-YVNDNENWSA-N	2	0	300.359	-2.837	20	0		DAADRP
O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001219813575	780152199	/nfs/dbraw/zinc/15/21/99/780152199.db2.gz	VNXXWVSAKRBREW-ZOWXZIJZSA-N	2	0	322.409	-1.546	20	0		DAADRP
CC(=O)NCCCC[C@H]([NH3+])C(=O)NC[C@]12C[NH2+]C[C@H]1COC2	ZINC001219815006	780152222	/nfs/dbraw/zinc/15/22/22/780152222.db2.gz	QFYNESSRFIQRCB-YDHLFZDLSA-N	2	0	312.414	-1.028	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@]12C[NH2+]C[C@H]1COC2	ZINC001219813385	780152234	/nfs/dbraw/zinc/15/22/34/780152234.db2.gz	ROECKPBWRMVPJZ-JQWIXIFHSA-N	2	0	320.415	-2.441	20	0		DAADRP
O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]CC12C[NH2+]C2	ZINC001219834727	780153415	/nfs/dbraw/zinc/15/34/15/780153415.db2.gz	SPHVPBVUANBDEJ-DVOMOZLQSA-N	3	0	324.425	-1.693	20	0		DAADRP
O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]CC12C[NH2+]C2	ZINC001219834730	780153426	/nfs/dbraw/zinc/15/34/26/780153426.db2.gz	SPHVPBVUANBDEJ-XJKCOSOUSA-N	3	0	324.425	-1.693	20	0		DAADRP
[NH3+][C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219833349	780153485	/nfs/dbraw/zinc/15/34/85/780153485.db2.gz	CCQDRARTRBEHJU-WHOFXGATSA-N	2	0	323.397	-1.209	20	0		DAADRP
O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1	ZINC001219834908	780153516	/nfs/dbraw/zinc/15/35/16/780153516.db2.gz	UJZVOPBPQFGFFS-GRYWWWGRSA-N	2	0	324.425	-1.552	20	0		DAADRP
CC(=O)OC[C@H]([NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219833575	780153526	/nfs/dbraw/zinc/15/35/26/780153526.db2.gz	DZKCQBWTCWSKDC-OBJOEFQTSA-N	2	0	315.370	-1.612	20	0		DAADRP
CC(=O)OC[C@H]([NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219833578	780153710	/nfs/dbraw/zinc/15/37/10/780153710.db2.gz	DZKCQBWTCWSKDC-SGMGOOAPSA-N	2	0	315.370	-1.612	20	0		DAADRP
CC(C)(O)[C@H]([NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219834315	780153732	/nfs/dbraw/zinc/15/37/32/780153732.db2.gz	PKTTUIOLBKENPJ-WDMOLILDSA-N	2	0	301.387	-1.404	20	0		DAADRP
O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]CC[C@@H]1O	ZINC001219835258	780153930	/nfs/dbraw/zinc/15/39/30/780153930.db2.gz	ZXCGBDFYBAJHOE-OSFYFWSMSA-N	2	0	313.398	-1.532	20	0		DAADRP
CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1	ZINC001219831422	780153940	/nfs/dbraw/zinc/15/39/40/780153940.db2.gz	KBNFLEUJXFLCPA-NDBYEHHHSA-N	2	0	312.414	-1.031	20	0		DAADRP
O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219838346	780154896	/nfs/dbraw/zinc/15/48/96/780154896.db2.gz	PHHKSQSZBGWZGV-NFAWXSAZSA-N	2	0	313.398	-1.124	20	0		DAADRP
CC(=O)NCSC[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12	ZINC001219847398	780155787	/nfs/dbraw/zinc/15/57/87/780155787.db2.gz	GCLMXLFSIAJSQR-FIQHERPVSA-N	2	0	316.427	-1.224	20	0		DAADRP
NC(=O)NCCC[C@H]([NH3+])C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21	ZINC001219849907	780156027	/nfs/dbraw/zinc/15/60/27/780156027.db2.gz	JGXOTVINXMLNFB-FIQHERPVSA-N	2	0	313.402	-1.497	20	0		DAADRP
O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1COC2(C[NH2+]C2)CN1	ZINC001219850203	780156184	/nfs/dbraw/zinc/15/61/84/780156184.db2.gz	NPPNXGZPSFQPGP-WUHRBBMRSA-N	2	0	310.398	-1.943	20	0		DAADRP
O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001219848006	780156739	/nfs/dbraw/zinc/15/67/39/780156739.db2.gz	VCAUAJBKALNIBD-ZDEQEGDKSA-N	2	0	322.409	-1.262	20	0		DAADRP
O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001219854011	780157538	/nfs/dbraw/zinc/15/75/38/780157538.db2.gz	AYVISFATIYKAJC-WISYIIOYSA-N	2	0	308.382	-1.795	20	0		DAADRP
O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)c1cnc(N2CC[NH2+]CC2)cn1	ZINC001219856306	780157544	/nfs/dbraw/zinc/15/75/44/780157544.db2.gz	GYBXUCXEPYYEIV-KGYLQXTDSA-N	2	0	318.381	-1.397	20	0		DAADRP
CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21	ZINC001219852560	780157716	/nfs/dbraw/zinc/15/77/16/780157716.db2.gz	URGHOWXERPEVEG-QNSTZXKLSA-N	2	0	311.382	-1.122	20	0		DAADRP
[NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)CO	ZINC001219865119	780158758	/nfs/dbraw/zinc/15/87/58/780158758.db2.gz	AQULCCUYJPLEDG-WOPDTQHZSA-N	2	0	316.402	-2.097	20	0		DAADRP
COC(=O)[C@@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)[C@@H](C)O	ZINC001219881003	780158775	/nfs/dbraw/zinc/15/87/75/780158775.db2.gz	OJSBGSRNSXWZAM-IEBDPFPHSA-N	2	0	302.375	-2.225	20	0		DAADRP
Cn1cc2c(n1)[C@H](CNC(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)OCC2	ZINC001219884693	780158821	/nfs/dbraw/zinc/15/88/21/780158821.db2.gz	AMPHPKJWIQTLQK-NEPJUHHUSA-N	2	0	305.382	-1.041	20	0		DAADRP
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@@H]1O	ZINC001219902721	780160429	/nfs/dbraw/zinc/16/04/29/780160429.db2.gz	IDTDPDUNAYLFHD-XQQFMLRXSA-N	2	0	317.430	-1.115	20	0		DAADRP
[NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC[NH2+]CCO	ZINC001219919035	780162331	/nfs/dbraw/zinc/16/23/31/780162331.db2.gz	WAXRDBAORYIKCK-ZDUSSCGKSA-N	2	0	308.382	-1.629	20	0		DAADRP
O=C(NCC[NH2+]CCO)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2	ZINC001219918967	780162878	/nfs/dbraw/zinc/16/28/78/780162878.db2.gz	UQFQMPSOQAGMDX-NSHDSACASA-N	2	0	319.427	-1.901	20	0		DAADRP
O=C(NCCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ccncc1	ZINC001219936394	780164359	/nfs/dbraw/zinc/16/43/59/780164359.db2.gz	CLMSMMHJUBLFDO-LBPRGKRZSA-N	2	0	303.366	-1.263	20	0		DAADRP
CNS(=O)(=O)CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1	ZINC001219961462	780166063	/nfs/dbraw/zinc/16/60/63/780166063.db2.gz	MEISKTVPYXDUKS-JTQLQIEISA-N	2	0	304.416	-1.474	20	0		DAADRP
COC(=O)C1(NC(=O)C2=NO[C@@]3(CC[NH2+]C3)C2)CC[NH2+]CC1	ZINC001219998959	780169124	/nfs/dbraw/zinc/16/91/24/780169124.db2.gz	GSDOESLUWZUGCV-ZDUSSCGKSA-N	2	0	310.354	-1.094	20	0		DAADRP
COC(=O)CC[C@@H]([NH3+])C(=O)NC1(C(=O)OC)CC[NH2+]CC1	ZINC001219999618	780169400	/nfs/dbraw/zinc/16/94/00/780169400.db2.gz	YTHNTNJMTKTVIO-SECBINFHSA-N	2	0	301.343	-1.322	20	0		DAADRP
COC(=O)CC[C@H]([NH3+])C(=O)NC1(C(=O)OC)CC[NH2+]CC1	ZINC001219999619	780169448	/nfs/dbraw/zinc/16/94/48/780169448.db2.gz	YTHNTNJMTKTVIO-VIFPVBQESA-N	2	0	301.343	-1.322	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)n1ccc(C[NH3+])cc1=N	ZINC001220045225	780173432	/nfs/dbraw/zinc/17/34/32/780173432.db2.gz	QXPMSEOANAYDQN-CBAPKCEASA-N	2	0	308.342	-2.226	20	0		DAADRP
C[NH2+]CCCCNC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O	ZINC001220077498	780177378	/nfs/dbraw/zinc/17/73/78/780177378.db2.gz	MICVUBSQSLXMSP-VHSXEESVSA-N	2	0	301.391	-1.800	20	0		DAADRP
CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N(CCCC[NH3+])C(N)=[NH2+]	ZINC001220103159	780178058	/nfs/dbraw/zinc/17/80/58/780178058.db2.gz	JAVPRBQDEKQBAM-ONGXEEELSA-N	3	0	300.407	-1.063	20	0		DAADRP
O=C(NC1CC2(C1)CS(=O)(=O)C2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001220143568	780184634	/nfs/dbraw/zinc/18/46/34/780184634.db2.gz	NBAYNQUUQHASBH-QMTHXVAHSA-N	2	0	313.423	-1.121	20	0		DAADRP
[NH3+]CC1(NC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)COC1	ZINC001220154558	780186110	/nfs/dbraw/zinc/18/61/10/780186110.db2.gz	USTULZSXCHHNIB-SNVBAGLBSA-N	2	0	317.411	-1.755	20	0		DAADRP
CS(=O)(=O)N1CC(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1	ZINC001220145588	780186149	/nfs/dbraw/zinc/18/61/49/780186149.db2.gz	HSTSJGZWZDGDJP-NSHDSACASA-N	2	0	316.427	-1.379	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)N[C@H]1COCCC12OCCO2	ZINC001220172787	780187901	/nfs/dbraw/zinc/18/79/01/780187901.db2.gz	BKBIJCWQRBXFRI-UWVGGRQHSA-N	2	0	305.400	-1.346	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1	ZINC001220166502	780188352	/nfs/dbraw/zinc/18/83/52/780188352.db2.gz	COKPKWJMGZIQNR-OZTPJHRESA-N	2	0	312.414	-1.151	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)NCC1(N2CCCC2)COC1	ZINC001220197937	780189172	/nfs/dbraw/zinc/18/91/72/780189172.db2.gz	XBLILKBIQZYBQR-NSHDSACASA-N	2	0	302.444	-1.013	20	0		DAADRP
COc1ccnc(C(=N)NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)n1	ZINC001220183269	780189229	/nfs/dbraw/zinc/18/92/29/780189229.db2.gz	KERQVZVJNQONPW-JTQLQIEISA-N	2	0	321.385	-1.323	20	0		DAADRP
COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1	ZINC001220230990	780192728	/nfs/dbraw/zinc/19/27/28/780192728.db2.gz	WKXIHFHAROKKCD-UPJWGTAASA-N	2	0	315.414	-1.503	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC[C@H]1CCC[N@@H+]1C	ZINC001220253883	780196863	/nfs/dbraw/zinc/19/68/63/780196863.db2.gz	GKTZVLKYWBPLAQ-AXFHLTTASA-N	2	0	313.402	-1.706	20	0		DAADRP
CN(C)S(=O)(=O)CCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001220268389	780198945	/nfs/dbraw/zinc/19/89/45/780198945.db2.gz	GQPHWELUVXPNGG-NSHDSACASA-N	2	0	321.447	-2.256	20	0		DAADRP
NC(=O)CC[C@H]([NH3+])CC(=O)NCc1ncn2c1C[NH2+]CCC2	ZINC001220311775	780201229	/nfs/dbraw/zinc/20/12/29/780201229.db2.gz	QXXNESMKANCALH-JTQLQIEISA-N	2	0	308.386	-1.025	20	0		DAADRP
O=C(NCc1ncn2c1C[NH2+]CCC2)[C@H]1C[NH2+]CC12C[NH2+]C2	ZINC001220311089	780201355	/nfs/dbraw/zinc/20/13/55/780201355.db2.gz	KISXYUDIXNTLBD-LLVKDONJSA-N	3	0	304.398	-1.198	20	0		DAADRP
NC(=O)NCCC[C@@H]([NH3+])C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2	ZINC001220315196	780201714	/nfs/dbraw/zinc/20/17/14/780201714.db2.gz	AOAUSPIQEVMWAR-GYSYKLTISA-N	2	0	313.402	-1.211	20	0		DAADRP
NC(=O)NCCC[C@@H]([NH3+])C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2	ZINC001220315200	780201850	/nfs/dbraw/zinc/20/18/50/780201850.db2.gz	AOAUSPIQEVMWAR-MISXGVKJSA-N	2	0	313.402	-1.211	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2	ZINC001220319601	780203088	/nfs/dbraw/zinc/20/30/88/780203088.db2.gz	HYJJUFVFYRZPDE-BBGACYKPSA-N	2	0	314.386	-2.162	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2	ZINC001220320780	780203290	/nfs/dbraw/zinc/20/32/90/780203290.db2.gz	PIESAPGSKXLRRX-HUBLWGQQSA-N	2	0	310.398	-1.118	20	0		DAADRP
COC(=O)c1n[nH]cc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001220373378	780207021	/nfs/dbraw/zinc/20/70/21/780207021.db2.gz	LGWGGXCJYPMRQB-VIFPVBQESA-N	2	0	310.358	-1.115	20	0		DAADRP
C[N@@H+]1C[C@H](C(=O)NC[C@@H]2COCC[NH2+]2)OC2(CC[NH2+]CC2)C1	ZINC001220429212	780214385	/nfs/dbraw/zinc/21/43/85/780214385.db2.gz	NMRWDCNUNUDIRH-CHWSQXEVSA-N	3	0	312.414	-1.456	20	0		DAADRP
O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2	ZINC001220428674	780214530	/nfs/dbraw/zinc/21/45/30/780214530.db2.gz	CJBDBHJZEZAUIS-ZJUUUORDSA-N	2	0	303.384	-2.132	20	0		DAADRP
O=C(NC[C@H]1COCC[NH2+]1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2	ZINC001220428694	780214788	/nfs/dbraw/zinc/21/47/88/780214788.db2.gz	CMBCFOSVXIJZCG-NWDGAFQWSA-N	2	0	320.397	-1.366	20	0		DAADRP
CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1COCC[NH2+]1	ZINC001220431462	780214804	/nfs/dbraw/zinc/21/48/04/780214804.db2.gz	HIWPSYQUBCFVTP-MNOVXSKESA-N	2	0	316.402	-1.650	20	0		DAADRP
O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2	ZINC001220428671	780214938	/nfs/dbraw/zinc/21/49/38/780214938.db2.gz	CJBDBHJZEZAUIS-NXEZZACHSA-N	2	0	303.384	-2.132	20	0		DAADRP
CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)O1	ZINC001220481582	780218591	/nfs/dbraw/zinc/21/85/91/780218591.db2.gz	KTFPHMANTIBSAE-BGPZULBFSA-N	2	0	312.414	-1.221	20	0		DAADRP
CN(CC[NH3+])CCNC(=O)c1cnc(N2CC[NH2+]CC2)cn1	ZINC001220517509	780221048	/nfs/dbraw/zinc/22/10/48/780221048.db2.gz	OOQQIQJNJGRLQE-UHFFFAOYSA-N	2	0	307.402	-1.494	20	0		DAADRP
CN(CC[NH3+])CCNC(=O)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2	ZINC001220515482	780221227	/nfs/dbraw/zinc/22/12/27/780221227.db2.gz	DCYCQZCFLVXXGI-LBPRGKRZSA-N	2	0	321.429	-1.464	20	0		DAADRP
CN(CC[NH3+])CCNC(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2	ZINC001220516131	780221711	/nfs/dbraw/zinc/22/17/11/780221711.db2.gz	PDNPBUUYSONMID-LLVKDONJSA-N	2	0	322.417	-2.069	20	0		DAADRP
COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2	ZINC001220514831	780222094	/nfs/dbraw/zinc/22/20/94/780222094.db2.gz	VRKYWTQJBPCKPE-ZETCQYMHSA-N	2	0	307.310	-1.284	20	0		DAADRP
[NH3+]CCOCCOCCNC(=O)[C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21	ZINC001220519236	780222572	/nfs/dbraw/zinc/22/25/72/780222572.db2.gz	HIWCZBXURGFUDZ-YNEHKIRRSA-N	2	0	301.387	-1.281	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC[NH2+]C1	ZINC001220521922	780222821	/nfs/dbraw/zinc/22/28/21/780222821.db2.gz	UEGUTEAIHNNCQT-GFCCVEGCSA-N	2	0	324.381	-1.757	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC[NH2+]C1	ZINC001220521521	780223050	/nfs/dbraw/zinc/22/30/50/780223050.db2.gz	HQXAZVANOPKRDD-LLVKDONJSA-N	3	0	308.382	-1.278	20	0		DAADRP
CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)NCCOCCOCC[NH3+]	ZINC001220519338	780223414	/nfs/dbraw/zinc/22/34/14/780223414.db2.gz	KLJGNKNFWPYNEY-VXGBXAGGSA-N	2	0	303.359	-1.754	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CC[NH2+]C1	ZINC001220521708	780223447	/nfs/dbraw/zinc/22/34/47/780223447.db2.gz	LZPWAROSTLFITN-TVYUQYBPSA-N	3	0	308.382	-1.137	20	0		DAADRP
CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1O	ZINC001220583319	780230169	/nfs/dbraw/zinc/23/01/69/780230169.db2.gz	UALNDHPCHUYYHB-XQQFMLRXSA-N	2	0	303.403	-1.503	20	0		DAADRP
COC(=O)CNC(=O)CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1	ZINC001220576212	780230624	/nfs/dbraw/zinc/23/06/24/780230624.db2.gz	VMYPSTQXZMZYNM-SNVBAGLBSA-N	2	0	312.370	-1.734	20	0		DAADRP
CCOC(=O)CN(CC[NH3+])C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO	ZINC001220585696	780232654	/nfs/dbraw/zinc/23/26/54/780232654.db2.gz	VIIVZAZJVRIBPN-IUCAKERBSA-N	2	0	304.347	-2.839	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC001220716752	780241672	/nfs/dbraw/zinc/24/16/72/780241672.db2.gz	QKRSYADCNHFQGG-NWBUJAPZSA-N	2	0	312.414	-1.058	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1cccnc1C[NH3+]	ZINC001220711696	780241842	/nfs/dbraw/zinc/24/18/42/780241842.db2.gz	RBZPSTUTVRMVPZ-UHFFFAOYSA-N	2	0	301.372	-1.301	20	0		DAADRP
C[C@@H]1COCCN1CCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001220724126	780242756	/nfs/dbraw/zinc/24/27/56/780242756.db2.gz	DZLHPXLXCUIQAR-TZMCWYRMSA-N	2	0	313.446	-1.426	20	0		DAADRP
COCCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1	ZINC001220764307	780245019	/nfs/dbraw/zinc/24/50/19/780245019.db2.gz	GHDJOXWVRUYYKJ-OLZOCXBDSA-N	2	0	303.403	-1.238	20	0		DAADRP
CCOCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1	ZINC001220764728	780245776	/nfs/dbraw/zinc/24/57/76/780245776.db2.gz	UKKVTTXYVDWQGE-OLZOCXBDSA-N	2	0	303.403	-1.238	20	0		DAADRP
COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1	ZINC001220764470	780246019	/nfs/dbraw/zinc/24/60/19/780246019.db2.gz	MDYGCNBGKCSMIN-UPJWGTAASA-N	2	0	303.403	-1.239	20	0		DAADRP
COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1	ZINC001220771867	780247098	/nfs/dbraw/zinc/24/70/98/780247098.db2.gz	FGSTVHHPOQELRK-STQMWFEESA-N	2	0	323.397	-1.053	20	0		DAADRP
O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@H]1COC2(C[NH2+]C2)CN1	ZINC001220800021	780248627	/nfs/dbraw/zinc/24/86/27/780248627.db2.gz	KIVHLRRHSXRTJY-IVZWLZJFSA-N	2	0	322.331	-1.027	20	0		DAADRP
O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@H]1COC2(C[NH2+]C2)CN1	ZINC001220800022	780248813	/nfs/dbraw/zinc/24/88/13/780248813.db2.gz	KIVHLRRHSXRTJY-OPRDCNLKSA-N	2	0	322.331	-1.027	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C[NH2+]C1	ZINC001220829318	780250007	/nfs/dbraw/zinc/25/00/07/780250007.db2.gz	ZTQHBSYWLNJDFE-NSHDSACASA-N	2	0	310.354	-1.527	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)C[NH2+]C1	ZINC001220827533	780250485	/nfs/dbraw/zinc/25/04/85/780250485.db2.gz	QZOLKGPYUPLEOQ-NSHDSACASA-N	2	0	308.338	-1.999	20	0		DAADRP
CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O	ZINC001220826234	780251413	/nfs/dbraw/zinc/25/14/13/780251413.db2.gz	TUQBTSBRGAGUJA-KGLIPLIRSA-N	2	0	317.430	-1.112	20	0		DAADRP
CCOC(=O)C1(NC(=O)[C@H](CCCC[NH3+])NC(C)=O)C[NH2+]C1	ZINC001220853072	780251947	/nfs/dbraw/zinc/25/19/47/780251947.db2.gz	KKSRBNGIZQDSQL-NSHDSACASA-N	2	0	314.386	-1.359	20	0		DAADRP
CCOC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])C[NH2+]C1	ZINC001220851034	780252309	/nfs/dbraw/zinc/25/23/09/780252309.db2.gz	FBSBXTGASYCXIO-UWVGGRQHSA-N	2	0	312.370	-1.654	20	0		DAADRP
CCOC(=O)C1(NC(=O)CNC(=O)[C@@H]([NH3+])[C@@H](C)CC)C[NH2+]C1	ZINC001220853058	780252333	/nfs/dbraw/zinc/25/23/33/780252333.db2.gz	JXXPOKAVUJQUPJ-ONGXEEELSA-N	2	0	314.386	-1.503	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)NCc1ccccc1C[NH3+]	ZINC001220855156	780252942	/nfs/dbraw/zinc/25/29/42/780252942.db2.gz	OKSHMFBPHPVPSI-UHFFFAOYSA-N	2	0	314.411	-1.018	20	0		DAADRP
[NH3+]CCN(CCNC(=O)[C@H]([NH3+])Cc1cnc[nH]1)N(O)N=O	ZINC001220900228	780256719	/nfs/dbraw/zinc/25/67/19/780256719.db2.gz	DUTKBPKKKATMRB-SECBINFHSA-N	2	0	300.323	-2.056	20	0		DAADRP
[NH3+]CCN(CCNC(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)N(O)N=O	ZINC001220900130	780257086	/nfs/dbraw/zinc/25/70/86/780257086.db2.gz	BGEOFRRIZQINBU-GARJFASQSA-N	2	0	316.362	-1.582	20	0		DAADRP
[NH3+]CCN(CCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)N(O)N=O	ZINC001220902855	780257342	/nfs/dbraw/zinc/25/73/42/780257342.db2.gz	CYYVBTXHIYDENU-JTQLQIEISA-N	3	0	303.367	-2.022	20	0		DAADRP
CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCCO[C@H]1CC[NH2+]C1	ZINC001220936045	780260456	/nfs/dbraw/zinc/26/04/56/780260456.db2.gz	BVEXZKCVEZHLQA-RYUDHWBXSA-N	2	0	300.403	-1.029	20	0		DAADRP
CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NCCO[C@H]1CC[NH2+]C1	ZINC001220936175	780261000	/nfs/dbraw/zinc/26/10/00/780261000.db2.gz	DBNFNRZWHIVCQJ-RYUDHWBXSA-N	2	0	300.403	-1.029	20	0		DAADRP
CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCCO[C@@H]1CC[NH2+]C1	ZINC001220936044	780261123	/nfs/dbraw/zinc/26/11/23/780261123.db2.gz	BVEXZKCVEZHLQA-NEPJUHHUSA-N	2	0	300.403	-1.029	20	0		DAADRP
CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCCO[C@H]1CC[NH2+]C1	ZINC001220937311	780261916	/nfs/dbraw/zinc/26/19/16/780261916.db2.gz	OMZRKMXLHWLOTR-GVXVVHGQSA-N	2	0	300.403	-1.029	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCCO[C@H]1CC[NH2+]C1	ZINC001220936902	780262230	/nfs/dbraw/zinc/26/22/30/780262230.db2.gz	KCENRVKCYQWLLB-GUBZILKMSA-N	2	0	315.374	-2.812	20	0		DAADRP
CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2	ZINC001220961116	780264683	/nfs/dbraw/zinc/26/46/83/780264683.db2.gz	ZYAPZEAPKVFFAA-UTUOFQBUSA-N	2	0	311.382	-1.120	20	0		DAADRP
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2[NH2+]CC[C@@H]2O)CC1	ZINC001221006308	780268876	/nfs/dbraw/zinc/26/88/76/780268876.db2.gz	DREKYZZALAYROH-MNXVOIDGSA-N	2	0	312.414	-1.186	20	0		DAADRP
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCN2)CC1	ZINC001221007043	780269135	/nfs/dbraw/zinc/26/91/35/780269135.db2.gz	STYYFDHPEPBSFJ-JHJVBQTASA-N	2	0	311.430	-1.347	20	0		DAADRP
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1	ZINC001221006321	780269317	/nfs/dbraw/zinc/26/93/17/780269317.db2.gz	DZLFOILFXYTHNG-FDYHWXHSSA-N	2	0	312.414	-1.186	20	0		DAADRP
COC(=O)CC[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C(N)=O	ZINC001221019303	780269990	/nfs/dbraw/zinc/26/99/90/780269990.db2.gz	SVQCJGSSKSDAPD-ISTVAULSSA-N	2	0	312.370	-1.891	20	0		DAADRP
COC(=O)CC[C@H](NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C(N)=O	ZINC001221018417	780270477	/nfs/dbraw/zinc/27/04/77/780270477.db2.gz	BTMXVCWYRVKWEN-UWVGGRQHSA-N	2	0	302.375	-1.244	20	0		DAADRP
COCCOc1nccc(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n1	ZINC001221157810	780277401	/nfs/dbraw/zinc/27/74/01/780277401.db2.gz	OHQLVINJHLKDCO-LBPRGKRZSA-N	2	0	321.381	-1.073	20	0		DAADRP
COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1COC2(C[NH2+]C2)CN1	ZINC001221188347	780281799	/nfs/dbraw/zinc/28/17/99/780281799.db2.gz	SXTQWLQVAQXQHQ-VHSXEESVSA-N	2	0	300.359	-2.287	20	0		DAADRP
COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1C[NH2+]Cc2ccnn2C1	ZINC001221188089	780282351	/nfs/dbraw/zinc/28/23/51/780282351.db2.gz	NPGJIZINGSZXJA-JQWIXIFHSA-N	2	0	309.370	-1.001	20	0		DAADRP
COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001221190196	780283654	/nfs/dbraw/zinc/28/36/54/780283654.db2.gz	FFNNZHSDUJBAGC-RYUDHWBXSA-N	3	0	315.418	-1.867	20	0		DAADRP
COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)C[NH3+]	ZINC001221190480	780283822	/nfs/dbraw/zinc/28/38/22/780283822.db2.gz	PDQTYRJOXDLMCA-UWVGGRQHSA-N	2	0	300.359	-1.667	20	0		DAADRP
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](CCC[NH3+])C(=O)OC	ZINC001221190059	780284081	/nfs/dbraw/zinc/28/40/81/780284081.db2.gz	BAMOFFZHVAOUKE-MXWKQRLJSA-N	2	0	315.370	-1.218	20	0		DAADRP
CC(=O)OCN1CCC(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1	ZINC001221258375	780286019	/nfs/dbraw/zinc/28/60/19/780286019.db2.gz	GQYPQMNTQYBEHT-CYBMUJFWSA-N	2	0	310.398	-1.103	20	0		DAADRP
O=C(NCCN1CCCS1(=O)=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001221336198	780290938	/nfs/dbraw/zinc/29/09/38/780290938.db2.gz	LMHWZVYZQIRIMT-DGCLKSJQSA-N	2	0	316.427	-1.663	20	0		DAADRP
[NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC1=CCOC1=O	ZINC001221328364	780291155	/nfs/dbraw/zinc/29/11/55/780291155.db2.gz	KGCDKGMPKATXHV-JQWIXIFHSA-N	2	0	324.381	-1.009	20	0		DAADRP
CC(C)N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C(C)(C)C[NH3+]	ZINC001221395349	780291722	/nfs/dbraw/zinc/29/17/22/780291722.db2.gz	TVFVFBGJCFWKTM-UWVGGRQHSA-N	2	0	315.418	-1.332	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F	ZINC001221368082	780293002	/nfs/dbraw/zinc/29/30/02/780293002.db2.gz	XOOUGLJWIMJGOU-UYXSQOIJSA-N	2	0	303.338	-2.490	20	0		DAADRP
C[NH+]1CCC(CO)(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1	ZINC001221407365	780295363	/nfs/dbraw/zinc/29/53/63/780295363.db2.gz	YEUUJABMZQSQNP-CYBMUJFWSA-N	3	0	313.446	-1.690	20	0		DAADRP
O=C1CN(Cc2cnc3n2CC[NH2+]CC3)[C@]2(CC[NH2+]C2)CN1	ZINC001222374726	780311613	/nfs/dbraw/zinc/31/16/13/780311613.db2.gz	WFJKUCYPIQOGLA-HNNXBMFYSA-N	2	0	304.398	-1.307	20	0		DAADRP
[NH3+]CCNC(=O)c1cccc(CN2CCNC(=O)C23C[NH2+]C3)c1	ZINC001235071531	780415177	/nfs/dbraw/zinc/41/51/77/780415177.db2.gz	XOTGCTLNCWJFDB-UHFFFAOYSA-N	2	0	317.393	-1.351	20	0		DAADRP
NC(=O)[C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)nc2)CC[NH2+]1	ZINC001235760449	780419027	/nfs/dbraw/zinc/41/90/27/780419027.db2.gz	PTJCNTJRWXWXBN-ZDUSSCGKSA-N	2	0	304.398	-1.250	20	0		DAADRP
NC(=O)[C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)nc2)CC[NH2+]1	ZINC001235760445	780419155	/nfs/dbraw/zinc/41/91/55/780419155.db2.gz	PTJCNTJRWXWXBN-CYBMUJFWSA-N	2	0	304.398	-1.250	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])CC[C@H]1C[NH2+]CCO1	ZINC001236307377	780419921	/nfs/dbraw/zinc/41/99/21/780419921.db2.gz	BFPAQKUBUGIIDI-ZDUSSCGKSA-N	3	0	301.435	-1.519	20	0		DAADRP
c1nc2n(c1CN1CC[NH2+]CCNCC[NH2+]CC1)CCNC2	ZINC001235874557	780420260	/nfs/dbraw/zinc/42/02/60/780420260.db2.gz	KPAMWXVYLGOCJU-UHFFFAOYSA-N	2	0	307.446	-1.429	20	0		DAADRP
O=S(=O)(CC1CC[NH2+]CC1)NC[C@]1(O)CC[NH2+]C[C@@H]1F	ZINC001238063791	780434957	/nfs/dbraw/zinc/43/49/57/780434957.db2.gz	IXIIYGCSOPXCMM-NWDGAFQWSA-N	2	0	309.407	-1.032	20	0		DAADRP
O=S(=O)(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CC[NH2+]C1	ZINC001238328708	780436214	/nfs/dbraw/zinc/43/62/14/780436214.db2.gz	TYRIAKPVFHZCAT-AGIUHOORSA-N	2	0	319.427	-1.337	20	0		DAADRP
CCOC(=O)[C@H]1[NH2+]C[C@@H]2[C@H](NS(=O)(=O)CC[NH3+])CC[C@@H]21	ZINC001238323622	780436234	/nfs/dbraw/zinc/43/62/34/780436234.db2.gz	FVIFDLMAGWMAGZ-MMWGEVLESA-N	2	0	305.400	-1.206	20	0		DAADRP
CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)[C@H]1CC[NH2+]C1	ZINC001238411863	780436448	/nfs/dbraw/zinc/43/64/48/780436448.db2.gz	HGONGJCSYIQRBX-HBNTYKKESA-N	2	0	305.400	-1.191	20	0		DAADRP
O=C1C[C@H]2[NH2+]CC[C@]2(NS(=O)(=O)CC2CC[NH2+]CC2)N1	ZINC001238334582	780436802	/nfs/dbraw/zinc/43/68/02/780436802.db2.gz	YYHQLIAVISBRPP-ZYHUDNBSSA-N	2	0	302.400	-1.517	20	0		DAADRP
O=C1C[C@@H]2[NH2+]CC[C@]2(NS(=O)(=O)CC2CC[NH2+]CC2)N1	ZINC001238334572	780436945	/nfs/dbraw/zinc/43/69/45/780436945.db2.gz	YYHQLIAVISBRPP-CMPLNLGQSA-N	2	0	302.400	-1.517	20	0		DAADRP
CCOC(=O)C1(NS(=O)(=O)[C@H]2CC[NH2+]C2)CC[NH2+]CC1	ZINC001238886301	780439118	/nfs/dbraw/zinc/43/91/18/780439118.db2.gz	CXVQQQXQDZXDLR-JTQLQIEISA-N	2	0	305.400	-1.047	20	0		DAADRP
O=S(=O)([C@@H]1CC[NH2+]C1)N1CCOC[C@@]2(C[NH2+]CCO2)C1	ZINC001238999250	780440814	/nfs/dbraw/zinc/44/08/14/780440814.db2.gz	HZOKQWFOGFEHHM-VXGBXAGGSA-N	2	0	305.400	-1.631	20	0		DAADRP
[NH3+]CCN(CC[NH3+])S(=O)(=O)c1ccc2c(c1)NC(=O)CO2	ZINC001239097169	780442292	/nfs/dbraw/zinc/44/22/92/780442292.db2.gz	PSMAJCLSEAXMNL-UHFFFAOYSA-N	2	0	314.367	-1.074	20	0		DAADRP
COC(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)CC1CC[NH2+]CC1	ZINC001239099515	780442333	/nfs/dbraw/zinc/44/23/33/780442333.db2.gz	SOBKPALMXXNCDQ-MNOVXSKESA-N	2	0	305.400	-1.110	20	0		DAADRP
O=S(=O)(C1CC[NH2+]CC1)N1CCNCC[NH2+]CCNCC1	ZINC001239095763	780442446	/nfs/dbraw/zinc/44/24/46/780442446.db2.gz	JBKVNYZIPPYHDH-UHFFFAOYSA-N	2	0	319.475	-1.847	20	0		DAADRP
COC(=O)[C@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)CC[C@@H]1[NH3+]	ZINC001239145024	780443221	/nfs/dbraw/zinc/44/32/21/780443221.db2.gz	LOOZQUYCZNTEPR-QWRGUYRKSA-N	2	0	305.400	-1.110	20	0		DAADRP
CCOC(=O)CNC(=O)N1CCNCC[NH2+]CCNCC1	ZINC001239286672	780443757	/nfs/dbraw/zinc/44/37/57/780443757.db2.gz	NRZKXXOMHAGOIT-UHFFFAOYSA-N	2	0	301.391	-1.657	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@H]1CN(S(=O)(=O)[C@H]1CC[NH2+]C1)CC2	ZINC001239171972	780443910	/nfs/dbraw/zinc/44/39/10/780443910.db2.gz	DRFRQOPKWLMGSB-GVXVVHGQSA-N	2	0	317.411	-1.095	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(S(=O)(=O)[C@@H]1CC[NH2+]C1)CC2	ZINC001239171975	780443987	/nfs/dbraw/zinc/44/39/87/780443987.db2.gz	DRFRQOPKWLMGSB-WZRBSPASSA-N	2	0	317.411	-1.095	20	0		DAADRP
COC(=O)[C@H](N)[C@@H]1CCCN(S(=O)(=O)[C@@H]2CC[NH2+]C2)C1	ZINC001239131091	780444127	/nfs/dbraw/zinc/44/41/27/780444127.db2.gz	ZORDKBIZOJQQKY-GMTAPVOTSA-N	2	0	305.400	-1.110	20	0		DAADRP
C[NH+](C)CCNC(=S)N1CCNCC[NH2+]CCNCC1	ZINC001239439751	780444727	/nfs/dbraw/zinc/44/47/27/780444727.db2.gz	VVDYLUOGPKZPEB-UHFFFAOYSA-N	2	0	302.492	-1.493	20	0		DAADRP
COC(=O)[C@H]1C[NH2+]CCN1C[C@H](O)CC1(O)CC[NH2+]CC1	ZINC001246028109	780447655	/nfs/dbraw/zinc/44/76/55/780447655.db2.gz	ZFTNNXJTCVYOQE-VXGBXAGGSA-N	2	0	301.387	-1.701	20	0		DAADRP
O=C(CC[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1)N1CC[NH2+]CC1	ZINC001245981145	780447722	/nfs/dbraw/zinc/44/77/22/780447722.db2.gz	GJILNDFZQZSAFO-ZDUSSCGKSA-N	3	0	314.430	-1.737	20	0		DAADRP
CCOC(=O)[C@@H]1C[NH2+]CCN1C[C@H](O)CC1(O)CC[NH2+]CC1	ZINC001246031589	780447927	/nfs/dbraw/zinc/44/79/27/780447927.db2.gz	REMOMBQAXNFYBY-OLZOCXBDSA-N	2	0	315.414	-1.311	20	0		DAADRP
COC(=O)[C@H](CCC[NH3+])NC[C@H](O)CC1(O)CC[NH2+]CC1	ZINC001246006456	780448038	/nfs/dbraw/zinc/44/80/38/780448038.db2.gz	IBCRDPGKUOCXLB-NEPJUHHUSA-N	2	0	303.403	-1.278	20	0		DAADRP
O=C(CC[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1)N1CC[NH2+]CC1	ZINC001245981144	780448105	/nfs/dbraw/zinc/44/81/05/780448105.db2.gz	GJILNDFZQZSAFO-CYBMUJFWSA-N	3	0	314.430	-1.737	20	0		DAADRP
CCOC(=O)CC1(NC[C@@H](O)CC2(O)CC[NH2+]CC2)C[NH2+]C1	ZINC001245995138	780448144	/nfs/dbraw/zinc/44/81/44/780448144.db2.gz	PNNDAQUODXUGGF-LBPRGKRZSA-N	2	0	315.414	-1.263	20	0		DAADRP
O[C@@H](CNCc1nnc2n1CCC[NH2+]C2)CC1(O)CC[NH2+]CC1	ZINC001245988810	780448159	/nfs/dbraw/zinc/44/81/59/780448159.db2.gz	WSWJPWJJJSLFLR-GFCCVEGCSA-N	2	0	324.429	-1.274	20	0		DAADRP
[NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CCNC(=O)C12C[NH2+]C2	ZINC001246025555	780448194	/nfs/dbraw/zinc/44/81/94/780448194.db2.gz	LCZCYIJUPSFSQL-UONOGXRCSA-N	2	0	304.394	-1.309	20	0		DAADRP
O=C1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)[C@@]2(CC[NH2+]C2)CN1	ZINC001246021000	780448263	/nfs/dbraw/zinc/44/82/63/780448263.db2.gz	DKYJBEFEDYMFOY-GXTWGEPZSA-N	2	0	312.414	-1.984	20	0		DAADRP
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1NC[C@H](O)CC1(O)CC[NH2+]CC1	ZINC001246002854	780448275	/nfs/dbraw/zinc/44/82/75/780448275.db2.gz	SMGPGAYBDKLADG-JHJVBQTASA-N	2	0	315.414	-1.407	20	0		DAADRP
COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)CCN1	ZINC001246019265	780448384	/nfs/dbraw/zinc/44/83/84/780448384.db2.gz	PEQAKEPYELAAFR-AVGNSLFASA-N	2	0	315.414	-1.265	20	0		DAADRP
[NH3+]C1CN([C@@H]2CCC[N@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C2)C1	ZINC001246046894	780449211	/nfs/dbraw/zinc/44/92/11/780449211.db2.gz	APCQXTNPHLTQOI-HUUCEWRRSA-N	3	0	312.458	-1.041	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@]1(O)CCC[NH2+]C1	ZINC001246049764	780449221	/nfs/dbraw/zinc/44/92/21/780449221.db2.gz	AZUKLHXFKMGWIS-AWEZNQCLSA-N	3	0	301.435	-1.783	20	0		DAADRP
COC(=O)[C@@H]1C[C@H]([NH3+])CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C1	ZINC001246054936	780449262	/nfs/dbraw/zinc/44/92/62/780449262.db2.gz	IYAUVVLDMSHYCY-AGIUHOORSA-N	2	0	315.414	-1.326	20	0		DAADRP
CCOC(=O)C[C@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1	ZINC001246059116	780449307	/nfs/dbraw/zinc/44/93/07/780449307.db2.gz	YXLSUESFKHXCFB-ZDUSSCGKSA-N	2	0	302.419	-1.615	20	0		DAADRP
COC(=O)[C@@H]1C[C@@H]([NH3+])CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C1	ZINC001246054942	780449457	/nfs/dbraw/zinc/44/94/57/780449457.db2.gz	IYAUVVLDMSHYCY-UPJWGTAASA-N	2	0	315.414	-1.326	20	0		DAADRP
O=S(=O)(CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)N1CCNCC1	ZINC001246101523	780449470	/nfs/dbraw/zinc/44/94/70/780449470.db2.gz	QIFSAWDNOOCPHS-GFCCVEGCSA-N	2	0	317.459	-2.095	20	0		DAADRP
O=C([C@@H]1C[C@H](N[C@@H]2C[NH2+]CCOC2)C[NH2+]1)N1CCSC1	ZINC001246091585	780449511	/nfs/dbraw/zinc/44/95/11/780449511.db2.gz	DYTQDDRMKDDNDZ-TUAOUCFPSA-N	2	0	300.428	-1.172	20	0		DAADRP
O=C([C@@H]1C[C@@H](N[C@H]2C[NH2+]CCOC2)C[NH2+]1)N1CCSC1	ZINC001246091587	780449609	/nfs/dbraw/zinc/44/96/09/780449609.db2.gz	DYTQDDRMKDDNDZ-WOPDTQHZSA-N	2	0	300.428	-1.172	20	0		DAADRP
COC(=O)C1(N)CC[NH+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC1	ZINC001246046378	780449651	/nfs/dbraw/zinc/44/96/51/780449651.db2.gz	QXQRNIRTMYANKP-LBPRGKRZSA-N	2	0	315.414	-1.182	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])CC1(O)CC[NH2+]CC1	ZINC001246053004	780449923	/nfs/dbraw/zinc/44/99/23/780449923.db2.gz	NDTCZVGSZDJHIE-UHFFFAOYSA-N	3	0	301.435	-1.783	20	0		DAADRP
O=C([C@@H]1C[C@H](N[C@H]2C[NH2+]CCOC2)C[NH2+]1)N1CCSC1	ZINC001246091584	780449975	/nfs/dbraw/zinc/44/99/75/780449975.db2.gz	DYTQDDRMKDDNDZ-SRVKXCTJSA-N	2	0	300.428	-1.172	20	0		DAADRP
CC[NH+](CC)C[C@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1	ZINC001246055931	780449996	/nfs/dbraw/zinc/44/99/96/780449996.db2.gz	MVPJYRITVAOZJE-HNNXBMFYSA-N	3	0	301.479	-1.227	20	0		DAADRP
COC(=O)C[C@H]1C[NH2+]CCN1C[C@H](O)CC1(O)CC[NH2+]CC1	ZINC001246047960	780450042	/nfs/dbraw/zinc/45/00/42/780450042.db2.gz	YNYBBTUIEBQKBF-QWHCGFSZSA-N	2	0	315.414	-1.311	20	0		DAADRP
O=C([C@@H]1C[C@H](N[C@H]2CCOC23C[NH2+]C3)C[NH2+]1)N1CCSC1	ZINC001246129177	780450597	/nfs/dbraw/zinc/45/05/97/780450597.db2.gz	SVUKRRXWDZFERW-SRVKXCTJSA-N	2	0	312.439	-1.030	20	0		DAADRP
O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C12CNC2	ZINC001246140190	780450671	/nfs/dbraw/zinc/45/06/71/780450671.db2.gz	FZPKSOVVYBGFIJ-GHMZBOCLSA-N	2	0	300.428	-1.801	20	0		DAADRP
COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)CN1	ZINC001246147603	780450923	/nfs/dbraw/zinc/45/09/23/780450923.db2.gz	YUNOGQLLGXGBSG-PWNZVWSESA-N	2	0	313.398	-1.125	20	0		DAADRP
O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCOC3(C[NH2+]C3)C2)C12CNC2	ZINC001246151382	780450959	/nfs/dbraw/zinc/45/09/59/780450959.db2.gz	YKHCYWXWXFQOMQ-GHMZBOCLSA-N	2	0	301.412	-1.374	20	0		DAADRP
O=C([C@@H]1C[C@@H](NC2(CO)CC[NH2+]CC2)C[NH2+]1)N1CCSC1	ZINC001246109205	780451187	/nfs/dbraw/zinc/45/11/87/780451187.db2.gz	ABMQJBPBDXUESI-NEPJUHHUSA-N	2	0	314.455	-1.046	20	0		DAADRP
O=C([C@@H]1C[C@@H](NC[C@H]2C[NH2+]C[C@H]2O)C[NH2+]1)N1CCSC1	ZINC001246117945	780451275	/nfs/dbraw/zinc/45/12/75/780451275.db2.gz	NODQUPVJHKWHDD-WISYIIOYSA-N	2	0	300.428	-1.580	20	0		DAADRP
COC(=O)[C@H]1C[C@H]([NH2+]C[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CN1	ZINC001246147607	780451289	/nfs/dbraw/zinc/45/12/89/780451289.db2.gz	YUNOGQLLGXGBSG-XPCVCDNBSA-N	2	0	313.398	-1.125	20	0		DAADRP
O=C([C@@H]1C[C@H](N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)C[NH2+]1)N1CCSC1	ZINC001246133516	780451487	/nfs/dbraw/zinc/45/14/87/780451487.db2.gz	JTXSDJBDOYEFQZ-OBPIAQAESA-N	2	0	312.439	-1.174	20	0		DAADRP
O=C([C@@H]1C[C@H](NC2(CO)CC[NH2+]CC2)C[NH2+]1)N1CCSC1	ZINC001246109209	780451562	/nfs/dbraw/zinc/45/15/62/780451562.db2.gz	ABMQJBPBDXUESI-RYUDHWBXSA-N	2	0	314.455	-1.046	20	0		DAADRP
O=C([C@@H]1C[C@H](N[C@@]2(CO)CC[NH2+]C2)C[NH2+]1)N1CCSC1	ZINC001246286876	780452167	/nfs/dbraw/zinc/45/21/67/780452167.db2.gz	HZSUABGRAMUYCB-GVXVVHGQSA-N	2	0	300.428	-1.436	20	0		DAADRP
CC(=O)N[C@@H](CCCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(N)=O	ZINC001246266268	780452923	/nfs/dbraw/zinc/45/29/23/780452923.db2.gz	AXZKJZANYLKWOM-STQMWFEESA-N	2	0	311.430	-1.170	20	0		DAADRP
CO[C@H]1C[NH2+]C[C@@H]1N[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1	ZINC001246238604	780453144	/nfs/dbraw/zinc/45/31/44/780453144.db2.gz	GEBRVWGCPYPGLG-BJDJZHNGSA-N	2	0	300.428	-1.174	20	0		DAADRP
COC(=O)[C@@H]1CC[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CN1	ZINC001246354615	780454132	/nfs/dbraw/zinc/45/41/32/780454132.db2.gz	XBJBGFSIKDDZHL-ZJUUUORDSA-N	2	0	304.351	-1.582	20	0		DAADRP
O=C([C@@H]1C[C@H](N[C@@H]2CC[NH2+]C[C@@H]2CO)C[NH2+]1)N1CCSC1	ZINC001246319045	780454156	/nfs/dbraw/zinc/45/41/56/780454156.db2.gz	BWVHFMKHKMSMFX-XQHKEYJVSA-N	2	0	314.455	-1.190	20	0		DAADRP
O=C([C@@H]1C[C@@H](N2CCOC3(C[NH2+]C3)C2)C[NH2+]1)N1CCSC1	ZINC001246617608	780454910	/nfs/dbraw/zinc/45/49/10/780454910.db2.gz	COORYESVCVVKEM-NEPJUHHUSA-N	2	0	312.439	-1.076	20	0		DAADRP
O=C1NCC[C@@]12C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC21C[NH2+]C1	ZINC001246626027	780455348	/nfs/dbraw/zinc/45/53/48/780455348.db2.gz	JDTABDVXZZCNLV-MLGOLLRUSA-N	3	0	305.426	-1.508	20	0		DAADRP
O=C1NCC[C@@]12C[N@@H+](C1C[C@@H]3COC[C@H](C1)N3)CC21C[NH2+]C1	ZINC001246630631	780455574	/nfs/dbraw/zinc/45/55/74/780455574.db2.gz	UJRUKKUAHUBYPP-TUURBPCVSA-N	2	0	306.410	-1.083	20	0		DAADRP
COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CCN1	ZINC001246627555	780455691	/nfs/dbraw/zinc/45/56/91/780455691.db2.gz	NAVVWFIBKUZQIK-MKBNYLNASA-N	2	0	322.409	-1.309	20	0		DAADRP
COC(=O)[C@@H]1C[C@H]([N@@H+]2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CCN1	ZINC001246627554	780455840	/nfs/dbraw/zinc/45/58/40/780455840.db2.gz	NAVVWFIBKUZQIK-BFQNTYOBSA-N	2	0	322.409	-1.309	20	0		DAADRP
[NH3+][C@@H]1CCN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@H]1O	ZINC001246573936	780455984	/nfs/dbraw/zinc/45/59/84/780455984.db2.gz	ZXEDRLUPFLWYFP-WISYIIOYSA-N	2	0	300.428	-1.356	20	0		DAADRP
CC(=O)N1CC(=O)NC[C@]12CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2	ZINC001246761875	780456546	/nfs/dbraw/zinc/45/65/46/780456546.db2.gz	WNFZWYZMQDWQQK-BBRMVZONSA-N	2	0	321.425	-1.497	20	0		DAADRP
COC(=O)[C@@H]1CC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CN1	ZINC001246821949	780456796	/nfs/dbraw/zinc/45/67/96/780456796.db2.gz	PQIRYRHVSZWGEE-KGLIPLIRSA-N	2	0	313.446	-1.636	20	0		DAADRP
O=C([C@@H]1C[C@H](N2CC[NH2+][C@@H](CO)C2)C[NH2+]1)N1CCSC1	ZINC001246796247	780456823	/nfs/dbraw/zinc/45/68/23/780456823.db2.gz	LISQNSLVENXXNB-WOPDTQHZSA-N	2	0	300.428	-1.484	20	0		DAADRP
NC(=O)[C@@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]1	ZINC001246798197	780456839	/nfs/dbraw/zinc/45/68/39/780456839.db2.gz	SQVFWSDIWZEHCD-DCAQKATOSA-N	2	0	313.427	-1.991	20	0		DAADRP
[NH3+]C[C@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CCO1	ZINC001246823284	780457006	/nfs/dbraw/zinc/45/70/06/780457006.db2.gz	FDZNCQQMJWVWIK-SRVKXCTJSA-N	2	0	300.428	-1.091	20	0		DAADRP
COC(=O)C1C[C@@H]2CC(N3CC[NH2+][C@H](C(N)=O)C3)C[C@H](C1)[NH2+]2	ZINC001246797221	780457087	/nfs/dbraw/zinc/45/70/87/780457087.db2.gz	NAKQNSAIAUWYEU-ZYLJPLBTSA-N	2	0	310.398	-1.182	20	0		DAADRP
CCOC(=O)C[C@@H]1C(=O)NCCN1[C@@H]1CCNC2(C[NH2+]C2)C1	ZINC001246773319	780457200	/nfs/dbraw/zinc/45/72/00/780457200.db2.gz	AOUUCWPEPRYYBW-VXGBXAGGSA-N	2	0	310.398	-1.166	20	0		DAADRP
O=C([C@@H]1C[C@@H](N2C[C@H]3C[NH2+]C[C@@H](C2)O3)C[NH2+]1)N1CCSC1	ZINC001246676337	780457251	/nfs/dbraw/zinc/45/72/51/780457251.db2.gz	DGLFXGLYRVDWJO-NDBYEHHHSA-N	2	0	312.439	-1.078	20	0		DAADRP
[NH3+][C@@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC12COC2	ZINC001246985853	780458048	/nfs/dbraw/zinc/45/80/48/780458048.db2.gz	BZTJXQPUFDRPFY-SDDRHHMPSA-N	2	0	312.439	-1.091	20	0		DAADRP
O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@@H]1CN2C[C@H]1[NH2+]CC2)O3	ZINC001247010806	780458363	/nfs/dbraw/zinc/45/83/63/780458363.db2.gz	PDQJWVQTZPHMHO-KVSVUVNWSA-N	2	0	314.411	-2.213	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])[C@H]1CSC2(C[NH2+]C2)C1	ZINC001246918961	780458587	/nfs/dbraw/zinc/45/85/87/780458587.db2.gz	ICMKXRNLDBCWPF-GFCCVEGCSA-N	3	0	315.487	-1.050	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])[C@@H]1CCS(=O)(=O)C1	ZINC001246921961	780458600	/nfs/dbraw/zinc/45/86/00/780458600.db2.gz	UCTUVTDYULGMQV-LLVKDONJSA-N	2	0	306.432	-1.711	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCOCCO)C1	ZINC001278766328	780483259	/nfs/dbraw/zinc/48/32/59/780483259.db2.gz	IVIGRIJZQJOTCY-ZFWWWQNUSA-N	2	0	315.414	-1.358	20	0		DAADRP
C[NH+]1CCN(C[C@@H](O)C[NH2+]CCN2CCCOCC2)CC1	ZINC001261436416	780541324	/nfs/dbraw/zinc/54/13/24/780541324.db2.gz	AVPQBTIOZVFDLN-HNNXBMFYSA-N	2	0	300.447	-1.093	20	0		DAADRP
C[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])C[NH+]1CCN(C)CC1	ZINC001261821768	780559911	/nfs/dbraw/zinc/55/99/11/780559911.db2.gz	JVXOPJOZXBYXQM-OLZOCXBDSA-N	2	0	313.446	-1.208	20	0		DAADRP
[NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1	ZINC001262067031	780567139	/nfs/dbraw/zinc/56/71/39/780567139.db2.gz	QIGJNHHILZPIJQ-CYDGBPFRSA-N	2	0	310.398	-1.181	20	0		DAADRP
[NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1	ZINC001262067034	780567198	/nfs/dbraw/zinc/56/71/98/780567198.db2.gz	QIGJNHHILZPIJQ-ZDEQEGDKSA-N	2	0	310.398	-1.181	20	0		DAADRP
CCON(CC)C(=O)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1	ZINC001262577640	780575590	/nfs/dbraw/zinc/57/55/90/780575590.db2.gz	VAUBKEMUNIEQIK-ZDUSSCGKSA-N	2	0	302.419	-1.016	20	0		DAADRP
COCC[N@H+](C)C[C@H](O)CN1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC000386978558	780583449	/nfs/dbraw/zinc/58/34/49/780583449.db2.gz	SBBPMVSVUJTYIC-CABCVRRESA-N	2	0	300.447	-1.095	20	0		DAADRP
COCC[N@H+](C)C[C@H](O)CN1CCN([C@H]2CC[NH2+]C2)CC1	ZINC000386978562	780583588	/nfs/dbraw/zinc/58/35/88/780583588.db2.gz	SBBPMVSVUJTYIC-GJZGRUSLSA-N	2	0	300.447	-1.095	20	0		DAADRP
C[NH+](C)CC1(C(=O)NCCC[N@H+](C)CC(=O)NC(N)=O)CC1	ZINC001265027214	780590311	/nfs/dbraw/zinc/59/03/11/780590311.db2.gz	JIMFNAXQUMYHTI-UHFFFAOYSA-N	2	0	313.402	-1.039	20	0		DAADRP
C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCNS(C)(=O)=O	ZINC001281769970	780691564	/nfs/dbraw/zinc/69/15/64/780691564.db2.gz	BMIJLOHWAPJGRN-RYUDHWBXSA-N	2	0	320.459	-1.028	20	0		DAADRP
C[NH+](C)CCOCC(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1	ZINC001284893482	780843915	/nfs/dbraw/zinc/84/39/15/780843915.db2.gz	QSTBWRLPNADGOG-ZDUSSCGKSA-N	2	0	312.414	-1.014	20	0		DAADRP
[NH3+]C[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)CCO1	ZINC001160644195	781378714	/nfs/dbraw/zinc/37/87/14/781378714.db2.gz	WPEWUFBSJVXMOL-UWVGGRQHSA-N	2	0	303.384	-2.051	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCCC[NH2+]CCS(C)(=O)=O	ZINC001171205124	781381402	/nfs/dbraw/zinc/38/14/02/781381402.db2.gz	MIHMWYYSGHCIJR-UHFFFAOYSA-N	2	0	309.432	-1.295	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCCC[NH2+]CC(=O)NC(N)=O	ZINC001171204565	781382154	/nfs/dbraw/zinc/38/21/54/781382154.db2.gz	CLFBSIGUSGEMPH-UHFFFAOYSA-N	2	0	303.363	-2.145	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1	ZINC001171226764	781386861	/nfs/dbraw/zinc/38/68/61/781386861.db2.gz	KMECENKEEPYLDW-LBPRGKRZSA-N	2	0	320.459	-1.027	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)N1CCN2C(=O)COC[C@@H]2C1	ZINC001160791211	781406457	/nfs/dbraw/zinc/40/64/57/781406457.db2.gz	ZIXCRDLDTVPVGU-UWVGGRQHSA-N	2	0	302.400	-1.925	20	0		DAADRP
CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC	ZINC001146710293	781417999	/nfs/dbraw/zinc/41/79/99/781417999.db2.gz	JZBVYTOQWPMMKY-JTQLQIEISA-N	2	0	301.391	-1.122	20	0		DAADRP
CC[N@H+](C)CCC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O	ZINC001146710759	781419247	/nfs/dbraw/zinc/41/92/47/781419247.db2.gz	MVSCGTXWHWTSRY-UHFFFAOYSA-N	2	0	313.402	-1.024	20	0		DAADRP
CC[N@H+](C)CCC(=O)NCC[NH2+]CCNS(=O)(=O)CC	ZINC001146711344	781420262	/nfs/dbraw/zinc/42/02/62/781420262.db2.gz	QGTRHQJAVVJANB-UHFFFAOYSA-N	2	0	308.448	-1.027	20	0		DAADRP
CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCOCC1	ZINC001146718496	781421281	/nfs/dbraw/zinc/42/12/81/781421281.db2.gz	CQVWRMJNRKDHCO-UHFFFAOYSA-N	2	0	300.403	-1.107	20	0		DAADRP
O=C(NCCC[NH2+]CCN1C(=O)CNC1=O)C12CC[NH+](CC1)C2	ZINC001171293310	781431101	/nfs/dbraw/zinc/43/11/01/781431101.db2.gz	HKSDBHWNDSFBND-UHFFFAOYSA-N	2	0	323.397	-1.270	20	0		DAADRP
O=C(NCCC[NH2+][C@H]1CCC(=O)NC1=O)C12CC[NH+](CC1)C2	ZINC001171295239	781431318	/nfs/dbraw/zinc/43/13/18/781431318.db2.gz	ZXZLRCOWGYTUSU-NSHDSACASA-N	2	0	308.382	-1.017	20	0		DAADRP
C[C@H](C[NH2+]CCNC(=O)COCC[NH+](C)C)CS(C)(=O)=O	ZINC001147893751	781458081	/nfs/dbraw/zinc/45/80/81/781458081.db2.gz	SKNBLXIWQDNVBQ-GFCCVEGCSA-N	2	0	323.459	-1.049	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001147892060	781458476	/nfs/dbraw/zinc/45/84/76/781458476.db2.gz	HKTCXEQCMSGBHW-LBPRGKRZSA-N	2	0	320.459	-1.027	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1	ZINC001147848068	781458529	/nfs/dbraw/zinc/45/85/29/781458529.db2.gz	DZEWUBONGPBQOU-LBPRGKRZSA-N	2	0	321.443	-1.295	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCC[NH2+]CCN1CCNC1=O	ZINC001147848168	781458594	/nfs/dbraw/zinc/45/85/94/781458594.db2.gz	HFACOEPQOVLPPB-UHFFFAOYSA-N	2	0	301.391	-1.704	20	0		DAADRP
C[C@@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)NC(N)=O	ZINC001147893471	781458610	/nfs/dbraw/zinc/45/86/10/781458610.db2.gz	QWRLVLMDYQGACA-SECBINFHSA-N	2	0	303.363	-2.146	20	0		DAADRP
C[C@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)NC(N)=O	ZINC001147893476	781458896	/nfs/dbraw/zinc/45/88/96/781458896.db2.gz	QWRLVLMDYQGACA-VIFPVBQESA-N	2	0	303.363	-2.146	20	0		DAADRP
CN(CC[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)S(C)(=O)=O	ZINC001147885974	781458908	/nfs/dbraw/zinc/45/89/08/781458908.db2.gz	QSHINVUGZQPJNO-GFCCVEGCSA-N	2	0	320.459	-1.075	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O	ZINC001147848913	781459037	/nfs/dbraw/zinc/45/90/37/781459037.db2.gz	YUMFXRNYLLKZSJ-JTQLQIEISA-N	2	0	300.359	-1.924	20	0		DAADRP
CN(CC[NH2+]CCNC(=O)C12CC[NH+](CC1)C2)S(C)(=O)=O	ZINC001147977838	781460530	/nfs/dbraw/zinc/46/05/30/781460530.db2.gz	YAMFADYLADOTMK-UHFFFAOYSA-N	2	0	318.443	-1.321	20	0		DAADRP
O=C(C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2)N1CCOCC1	ZINC001147977653	781461753	/nfs/dbraw/zinc/46/17/53/781461753.db2.gz	UHVLWLVTYKZVKL-UHFFFAOYSA-N	2	0	310.398	-1.353	20	0		DAADRP
O=C(C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2)NC[C@@H]1CCOC1	ZINC001147994644	781463643	/nfs/dbraw/zinc/46/36/43/781463643.db2.gz	MYPVQFXRLGYSRW-ZDUSSCGKSA-N	2	0	324.425	-1.059	20	0		DAADRP
CCC[N@H+](C)CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O	ZINC001171762615	781587948	/nfs/dbraw/zinc/58/79/48/781587948.db2.gz	IDLBTUIGRFBVPL-UHFFFAOYSA-N	2	0	313.402	-1.024	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1	ZINC001203348734	781596388	/nfs/dbraw/zinc/59/63/88/781596388.db2.gz	CNXBYDJZSFQAGG-UHFFFAOYSA-N	2	0	323.397	-1.142	20	0		DAADRP
C[C@@H]([NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(N)=O	ZINC001176162801	781613555	/nfs/dbraw/zinc/61/35/55/781613555.db2.gz	ZYLVMBZMCYVENW-NWDGAFQWSA-N	2	0	300.403	-1.076	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@@H](C)C(N)=O	ZINC001176162804	781614092	/nfs/dbraw/zinc/61/40/92/781614092.db2.gz	ZYLVMBZMCYVENW-RYUDHWBXSA-N	2	0	300.403	-1.076	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001176057532	781614121	/nfs/dbraw/zinc/61/41/21/781614121.db2.gz	PSHMVDHYFCDUKJ-GFCCVEGCSA-N	2	0	320.459	-1.027	20	0		DAADRP
C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1CC[N@H+](C)C1	ZINC001180124691	781666505	/nfs/dbraw/zinc/66/65/05/781666505.db2.gz	MTQUGQNJGWMNBW-DCAQKATOSA-N	2	0	311.386	-1.288	20	0		DAADRP
C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@@]1(C)C[NH2+]CC(N)=O	ZINC001181009159	781682498	/nfs/dbraw/zinc/68/24/98/781682498.db2.gz	QLVNDFMHMDLKNR-LALPHHSUSA-N	2	0	312.414	-1.124	20	0		DAADRP
CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001151044071	781686804	/nfs/dbraw/zinc/68/68/04/781686804.db2.gz	NEZYGOIHQZFOBO-QWRGUYRKSA-N	2	0	313.402	-1.122	20	0		DAADRP
CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001151049386	781689276	/nfs/dbraw/zinc/68/92/76/781689276.db2.gz	MUXWJTIFDPZFCK-GFCCVEGCSA-N	2	0	320.459	-1.027	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1	ZINC001181652602	781690593	/nfs/dbraw/zinc/69/05/93/781690593.db2.gz	NNIDHNIPIXXSTJ-NEPJUHHUSA-N	2	0	318.443	-1.180	20	0		DAADRP
COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001151066745	781693728	/nfs/dbraw/zinc/69/37/28/781693728.db2.gz	YIELYNLLKUUXCL-OLZOCXBDSA-N	2	0	303.403	-1.332	20	0		DAADRP
C[NH+]1CCC(O)(C(=O)NCCN(CC[NH3+])N(O)N=O)CC1	ZINC001182036288	781695655	/nfs/dbraw/zinc/69/56/55/781695655.db2.gz	NHKAYIUMLKAHAL-UHFFFAOYSA-N	2	0	304.351	-1.892	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)NC(N)=O	ZINC001151160702	781705532	/nfs/dbraw/zinc/70/55/32/781705532.db2.gz	XWOXIHAZFOECDP-SNVBAGLBSA-N	2	0	315.374	-2.145	20	0		DAADRP
C[NH+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)C1CC1	ZINC001183268809	781723477	/nfs/dbraw/zinc/72/34/77/781723477.db2.gz	YBTFUGPAWIPQHA-PWSUYJOCSA-N	2	0	311.386	-1.288	20	0		DAADRP
CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C	ZINC001183580950	781726854	/nfs/dbraw/zinc/72/68/54/781726854.db2.gz	ALTCAOPAGFISPE-GHMZBOCLSA-N	2	0	313.402	-1.027	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001183647780	781728422	/nfs/dbraw/zinc/72/84/22/781728422.db2.gz	LBNGPWBBCVNUIB-MNOVXSKESA-N	2	0	311.386	-1.144	20	0		DAADRP
CN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O	ZINC001187107220	781795809	/nfs/dbraw/zinc/79/58/09/781795809.db2.gz	XSQQBUAXKYMODG-CHWSQXEVSA-N	2	0	312.414	-1.014	20	0		DAADRP
CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1	ZINC001187842932	781808747	/nfs/dbraw/zinc/80/87/47/781808747.db2.gz	SDBRIDXRTHMSFF-GFCCVEGCSA-N	2	0	318.443	-1.178	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1	ZINC001187834799	781808768	/nfs/dbraw/zinc/80/87/68/781808768.db2.gz	IEANUUAPJLUUNJ-LLVKDONJSA-N	2	0	311.386	-1.272	20	0		DAADRP
C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21	ZINC001189802368	781854733	/nfs/dbraw/zinc/85/47/33/781854733.db2.gz	WSIRPJPOZAVIJJ-MELADBBJSA-N	2	0	324.425	-1.014	20	0		DAADRP
C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21	ZINC001189802367	781855043	/nfs/dbraw/zinc/85/50/43/781855043.db2.gz	WSIRPJPOZAVIJJ-BFHYXJOUSA-N	2	0	324.425	-1.014	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1	ZINC001376875433	921742556	/nfs/dbraw/zinc/74/25/56/921742556.db2.gz	UYIQYDZLKIGSEK-LBPRGKRZSA-N	2	0	312.414	-1.109	20	0		DAADRP
COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1	ZINC001376875166	921743623	/nfs/dbraw/zinc/74/36/23/921743623.db2.gz	ULNIEPTWEVWYHN-HZSPNIEDSA-N	2	0	315.414	-1.095	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001376912999	921747012	/nfs/dbraw/zinc/74/70/12/921747012.db2.gz	UDVWYKSSTOVOCJ-MNOVXSKESA-N	2	0	311.386	-1.286	20	0		DAADRP
C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H]1CCC(=O)NC1=O	ZINC001317281764	916280860	/nfs/dbraw/zinc/28/08/60/916280860.db2.gz	FMGWTHHDIZYDJZ-MNOVXSKESA-N	2	0	308.382	-1.018	20	0		DAADRP
C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C	ZINC001317622137	916341878	/nfs/dbraw/zinc/34/18/78/916341878.db2.gz	ITNZUXXDBMVFIT-QWRGUYRKSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O	ZINC001320271655	916492340	/nfs/dbraw/zinc/49/23/40/916492340.db2.gz	UATLTZLXSHFWGX-VHSXEESVSA-N	2	0	300.359	-2.190	20	0		DAADRP
OC[C@@H]1C[C@H](O)C[NH+]1CCOCC[N@H+]1C[C@@H](O)C[C@H]1CO	ZINC001320710736	916524522	/nfs/dbraw/zinc/52/45/22/916524522.db2.gz	FTBMRIUODMQVJI-XUXIUFHCSA-N	2	0	304.387	-2.142	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001321064715	916544201	/nfs/dbraw/zinc/54/42/01/916544201.db2.gz	OIPNPTUJVSZEEP-UDSFMNFJSA-N	2	0	323.397	-1.215	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001321064716	916546146	/nfs/dbraw/zinc/54/61/46/916546146.db2.gz	OIPNPTUJVSZEEP-YYRQZUAOSA-N	2	0	323.397	-1.215	20	0		DAADRP
C[C@@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)[C@H]1CCC[N@@H+]1C	ZINC001321815013	916598732	/nfs/dbraw/zinc/59/87/32/916598732.db2.gz	SBCHSPLJYGVORE-WDEREUQCSA-N	2	0	306.432	-1.276	20	0		DAADRP
C[C@@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001321815012	916600905	/nfs/dbraw/zinc/60/09/05/916600905.db2.gz	SBCHSPLJYGVORE-QWRGUYRKSA-N	2	0	306.432	-1.276	20	0		DAADRP
NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21	ZINC001326107657	916897710	/nfs/dbraw/zinc/89/77/10/916897710.db2.gz	PLWCMLLNARBPMX-STQMWFEESA-N	2	0	312.414	-1.101	20	0		DAADRP
NC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21	ZINC001326107653	916898064	/nfs/dbraw/zinc/89/80/64/916898064.db2.gz	PLWCMLLNARBPMX-CHWSQXEVSA-N	2	0	312.414	-1.101	20	0		DAADRP
C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cn1	ZINC001326547868	916930780	/nfs/dbraw/zinc/93/07/80/916930780.db2.gz	HUXFLTQHMOMMKB-LBPRGKRZSA-N	2	0	324.385	-1.431	20	0		DAADRP
C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cn1	ZINC001326547867	916931293	/nfs/dbraw/zinc/93/12/93/916931293.db2.gz	HUXFLTQHMOMMKB-GFCCVEGCSA-N	2	0	324.385	-1.431	20	0		DAADRP
CN1CCO[C@@H](C(=O)NCC2([NH2+]CCOCCO)CCC2)C1	ZINC001326801922	916958350	/nfs/dbraw/zinc/95/83/50/916958350.db2.gz	LSAXOSDYZOTOHQ-CYBMUJFWSA-N	2	0	315.414	-1.046	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[C@@H]1[NH3+]	ZINC001326877978	916964709	/nfs/dbraw/zinc/96/47/09/916964709.db2.gz	XTRGWCUIMDVVMO-XQHKEYJVSA-N	2	0	310.398	-1.541	20	0		DAADRP
O=C(N[C@H]1CC[NH2+]C1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC001327470165	917017033	/nfs/dbraw/zinc/01/70/33/917017033.db2.gz	BFHSFMNYLRKQTE-IHRRRGAJSA-N	2	0	324.425	-1.042	20	0		DAADRP
C[NH+]1CCN(CCCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1	ZINC001328593531	917097891	/nfs/dbraw/zinc/09/78/91/917097891.db2.gz	KUMFRKDRWKTUBR-CYBMUJFWSA-N	2	0	311.430	-1.392	20	0		DAADRP
C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC001329001926	917130353	/nfs/dbraw/zinc/13/03/53/917130353.db2.gz	DMYSNJXSOBQBPW-UPJWGTAASA-N	2	0	312.414	-1.110	20	0		DAADRP
C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCN2C(=O)CCC2=O)CC1	ZINC001329139585	917144508	/nfs/dbraw/zinc/14/45/08/917144508.db2.gz	ASUIKJJRVMDEKN-ZDUSSCGKSA-N	2	0	312.414	-1.277	20	0		DAADRP
C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C[NH+]1CCN(C)CC1	ZINC001329453305	917171147	/nfs/dbraw/zinc/17/11/47/917171147.db2.gz	BMTBMWHDULNINT-CHWSQXEVSA-N	2	0	311.430	-1.536	20	0		DAADRP
C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CCN1C(=O)CNC1=O	ZINC001329531861	917179421	/nfs/dbraw/zinc/17/94/21/917179421.db2.gz	MXANAVZRBJSSKC-NSHDSACASA-N	2	0	313.402	-1.074	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2	ZINC001329822368	917201314	/nfs/dbraw/zinc/20/13/14/917201314.db2.gz	OGQYIZGQCGKOSB-MQYJIDSJSA-N	2	0	309.414	-1.702	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2	ZINC001329822366	917202499	/nfs/dbraw/zinc/20/24/99/917202499.db2.gz	OGQYIZGQCGKOSB-AVERBVTBSA-N	2	0	309.414	-1.702	20	0		DAADRP
CC[NH+](CC)CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1	ZINC001329838614	917204686	/nfs/dbraw/zinc/20/46/86/917204686.db2.gz	SYFMLRVLIZSEDW-UHFFFAOYSA-N	2	0	324.385	-1.285	20	0		DAADRP
C[NH2+]CCOCCN(C)C(=O)C(=O)NC1CC[NH+](C)CC1	ZINC001330011011	917220082	/nfs/dbraw/zinc/22/00/82/917220082.db2.gz	YUMBIEANMCWWHF-UHFFFAOYSA-N	2	0	300.403	-1.109	20	0		DAADRP
O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)NC[C@H]1COCC[NH2+]1	ZINC001330025109	917222359	/nfs/dbraw/zinc/22/23/59/917222359.db2.gz	WUNMOJNOOFUPIK-NEPJUHHUSA-N	2	0	310.398	-1.309	20	0		DAADRP
O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC001330025110	917222808	/nfs/dbraw/zinc/22/28/08/917222808.db2.gz	WUNMOJNOOFUPIK-NWDGAFQWSA-N	2	0	310.398	-1.309	20	0		DAADRP
C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC001331165241	917283982	/nfs/dbraw/zinc/28/39/82/917283982.db2.gz	NYUXZAZPTOLANZ-LBPRGKRZSA-N	2	0	311.430	-1.312	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001331573122	917301284	/nfs/dbraw/zinc/30/12/84/917301284.db2.gz	NVUBGUZLKGGYFI-NWDGAFQWSA-N	2	0	300.403	-1.063	20	0		DAADRP
CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1	ZINC001331585839	917301797	/nfs/dbraw/zinc/30/17/97/917301797.db2.gz	UHVAZIAKZPYKCG-CYBMUJFWSA-N	2	0	311.430	-1.392	20	0		DAADRP
O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC001331742430	917330693	/nfs/dbraw/zinc/33/06/93/917330693.db2.gz	BGAWOXFREGIWEA-YNEHKIRRSA-N	2	0	310.398	-1.166	20	0		DAADRP
CCNS(=O)(=O)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1	ZINC001331958453	917349116	/nfs/dbraw/zinc/34/91/16/917349116.db2.gz	KYHCMXKPGBXNJV-GFCCVEGCSA-N	2	0	308.448	-1.876	20	0		DAADRP
C[C@]1(C2CC[NH+](CC(=O)N3CC[NH2+]CC3)CC2)NC(=O)NC1=O	ZINC001332414721	917370373	/nfs/dbraw/zinc/37/03/73/917370373.db2.gz	DADICSXMFHJLPS-OAHLLOKOSA-N	2	0	323.397	-1.272	20	0		DAADRP
CNC(=O)C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C	ZINC001333207717	917427518	/nfs/dbraw/zinc/42/75/18/917427518.db2.gz	XEQZSYDEXVWPFQ-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[C@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])C[NH+]1CCN(C)CC1	ZINC001333180225	917427811	/nfs/dbraw/zinc/42/78/11/917427811.db2.gz	ZUMNLYSTUHXQBQ-OLZOCXBDSA-N	2	0	313.446	-1.160	20	0		DAADRP
C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1	ZINC001333564622	917450739	/nfs/dbraw/zinc/45/07/39/917450739.db2.gz	ATOSJEUJJKLMAZ-VIFPVBQESA-N	2	0	322.369	-1.533	20	0		DAADRP
[NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CC[N@@H+]3C[C@H](O)C[C@H]3C1)C2	ZINC001334763056	917505699	/nfs/dbraw/zinc/50/56/99/917505699.db2.gz	IXHGDCQJONPVLA-ZUWCUPBKSA-N	2	0	322.409	-1.398	20	0		DAADRP
C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)C2C[NH2+]C2)CC1	ZINC001335181019	917529269	/nfs/dbraw/zinc/52/92/69/917529269.db2.gz	LDKXYNYPQOIVKS-UHFFFAOYSA-N	2	0	318.443	-1.132	20	0		DAADRP
CN(C)c1ncc(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)n1C	ZINC001335216875	917532276	/nfs/dbraw/zinc/53/22/76/917532276.db2.gz	NHJYMYLATYWWGQ-JTQLQIEISA-N	2	0	324.385	-1.793	20	0		DAADRP
C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC001335255450	917540245	/nfs/dbraw/zinc/54/02/45/917540245.db2.gz	MDZDBWQJVWNWRP-XQQFMLRXSA-N	2	0	312.414	-1.103	20	0		DAADRP
[NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1	ZINC001335801851	917561440	/nfs/dbraw/zinc/56/14/40/917561440.db2.gz	MFKNYGFKCVVBDJ-RFQIPJPRSA-N	2	0	324.425	-1.103	20	0		DAADRP
[NH3+]CCN1CCC([NH2+]CC[C@@H]2CNCCS2(=O)=O)CC1	ZINC001336285527	917576923	/nfs/dbraw/zinc/57/69/23/917576923.db2.gz	MNZUYMOEOBBLOZ-CYBMUJFWSA-N	2	0	304.460	-1.224	20	0		DAADRP
O=C(NCC[NH2+]CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1	ZINC001341634847	917761053	/nfs/dbraw/zinc/76/10/53/917761053.db2.gz	JRVDIBXRNJDSDH-KJKVDNPUSA-N	3	0	321.425	-1.691	20	0		DAADRP
C[NH+]1CCN(c2ncccc2CNC(=O)CNCC[NH3+])CC1	ZINC001341731068	917762466	/nfs/dbraw/zinc/76/24/66/917762466.db2.gz	AYGDWVMJXYDJOJ-UHFFFAOYSA-N	2	0	306.414	-1.002	20	0		DAADRP
[NH3+]CCN1CCC[C@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O	ZINC001341788094	917766368	/nfs/dbraw/zinc/76/63/68/917766368.db2.gz	OSASAMOPQWDRGG-KGLIPLIRSA-N	2	0	323.441	-1.310	20	0		DAADRP
O=C([C@H]1CCC[NH2+]1)N1CCNCCN(C(=O)[C@H]2CCC[NH2+]2)CC1	ZINC001342640162	917788913	/nfs/dbraw/zinc/78/89/13/917788913.db2.gz	DOFSDKAMDXGJQY-ZIAGYGMSSA-N	2	0	323.441	-1.249	20	0		DAADRP
O=C(N1CCNCC[NH2+]CC1)C1(n2cccn2)CC[NH2+]CC1	ZINC001342622310	917789424	/nfs/dbraw/zinc/78/94/24/917789424.db2.gz	MGHXFMNATXYDHU-UHFFFAOYSA-N	2	0	306.414	-1.017	20	0		DAADRP
CN1CC[NH2+]C[C@H]1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC001343487838	917811660	/nfs/dbraw/zinc/81/16/60/917811660.db2.gz	SLDHZOSYRZLPCV-WDEREUQCSA-N	2	0	323.363	-1.158	20	0		DAADRP
COCCN1CC[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1	ZINC001345605884	917851302	/nfs/dbraw/zinc/85/13/02/917851302.db2.gz	LHUQSLYCRVYZSM-GJZGRUSLSA-N	2	0	300.447	-1.095	20	0		DAADRP
COCCN1CC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1	ZINC001345605886	917851979	/nfs/dbraw/zinc/85/19/79/917851979.db2.gz	LHUQSLYCRVYZSM-LSDHHAIUSA-N	2	0	300.447	-1.095	20	0		DAADRP
C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O	ZINC001347342674	917917277	/nfs/dbraw/zinc/91/72/77/917917277.db2.gz	LXIDWZPHYPNLMN-HZSPNIEDSA-N	2	0	323.441	-1.169	20	0		DAADRP
C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1	ZINC001348957466	917985226	/nfs/dbraw/zinc/98/52/26/917985226.db2.gz	GYKKRXVVQDHGCD-HOTGVXAUSA-N	3	0	313.490	-1.180	20	0		DAADRP
C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC001353299256	918149028	/nfs/dbraw/zinc/14/90/28/918149028.db2.gz	METILFUAJVYFQN-GFCCVEGCSA-N	2	0	311.430	-1.312	20	0		DAADRP
C[C@H]([NH3+])CNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1	ZINC001353299258	918149042	/nfs/dbraw/zinc/14/90/42/918149042.db2.gz	METILFUAJVYFQN-LBPRGKRZSA-N	2	0	311.430	-1.312	20	0		DAADRP
Cn1ccc(=O)n(CCC[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1=O	ZINC001357165114	918274021	/nfs/dbraw/zinc/27/40/21/918274021.db2.gz	CJWQEGVTQDLJRX-CYBMUJFWSA-N	2	0	310.398	-1.017	20	0		DAADRP
[NH3+]CCN1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1=O	ZINC001357946419	918309586	/nfs/dbraw/zinc/30/95/86/918309586.db2.gz	XRYUXRDSKMZGNE-OLZOCXBDSA-N	2	0	312.414	-1.243	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)N2CCNCC[NH2+]CC2)CC1=O	ZINC001358240950	918317707	/nfs/dbraw/zinc/31/77/07/918317707.db2.gz	ZRGOHPJYZBBERR-CYBMUJFWSA-N	2	0	311.430	-1.582	20	0		DAADRP
CN1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC[N@H+](C)CC1	ZINC001358444253	918322019	/nfs/dbraw/zinc/32/20/19/918322019.db2.gz	JVCRECONMAZTDI-ZDUSSCGKSA-N	2	0	323.441	-1.488	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C1CC1	ZINC001366025808	919268667	/nfs/dbraw/zinc/26/86/67/919268667.db2.gz	HHCYJMXNHXAHAS-MNOVXSKESA-N	2	0	311.386	-1.240	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C1CC1	ZINC001366025802	919271071	/nfs/dbraw/zinc/27/10/71/919271071.db2.gz	HHCYJMXNHXAHAS-GHMZBOCLSA-N	2	0	311.386	-1.240	20	0		DAADRP
C[NH+](C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C2)CCC1	ZINC001366115918	919283261	/nfs/dbraw/zinc/28/32/61/919283261.db2.gz	USLWHSOPKQNQNL-MGCOHNPYSA-N	2	0	311.386	-1.098	20	0		DAADRP
C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O	ZINC001366144567	919286231	/nfs/dbraw/zinc/28/62/31/919286231.db2.gz	ZHEFVWICAZJXID-ZNSHCXBVSA-N	2	0	311.386	-1.099	20	0		DAADRP
C[N@H+](CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1)C1CCC1	ZINC001366382182	919319173	/nfs/dbraw/zinc/31/91/73/919319173.db2.gz	NIPYPJXFQCQZIJ-JTQLQIEISA-N	2	0	311.386	-1.144	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1	ZINC001366378705	919322549	/nfs/dbraw/zinc/32/25/49/919322549.db2.gz	HGZSJCNTIVXZHK-NWDGAFQWSA-N	2	0	323.397	-1.286	20	0		DAADRP
C[NH+](C)CCn1ccc(C(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)n1	ZINC001366409147	919326908	/nfs/dbraw/zinc/32/69/08/919326908.db2.gz	ZJFWDGJYDVYJMU-GFCCVEGCSA-N	2	0	322.413	-1.018	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001366765122	919377412	/nfs/dbraw/zinc/37/74/12/919377412.db2.gz	RXZOFUMQVGYLFX-WDEREUQCSA-N	2	0	313.402	-1.027	20	0		DAADRP
CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O	ZINC001367392785	919462160	/nfs/dbraw/zinc/46/21/60/919462160.db2.gz	DMBPVHSGFLCWNI-SNVBAGLBSA-N	2	0	301.391	-1.040	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O	ZINC001367583563	919494370	/nfs/dbraw/zinc/49/43/70/919494370.db2.gz	RJXRWYLOYVSPCF-DTWKUNHWSA-N	2	0	301.347	-2.658	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001367585172	919495443	/nfs/dbraw/zinc/49/54/43/919495443.db2.gz	FNHOMSYWWJBNHJ-JHJVBQTASA-N	2	0	314.430	-1.082	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O	ZINC001367584386	919496203	/nfs/dbraw/zinc/49/62/03/919496203.db2.gz	RJXRWYLOYVSPCF-IUCAKERBSA-N	2	0	301.347	-2.658	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O	ZINC001367583560	919496225	/nfs/dbraw/zinc/49/62/25/919496225.db2.gz	RJXRWYLOYVSPCF-BDAKNGLRSA-N	2	0	301.347	-2.658	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)CC[N@@H+]1C	ZINC001367586362	919497384	/nfs/dbraw/zinc/49/73/84/919497384.db2.gz	GUPSXHAFMPONJL-RAIGVLPGSA-N	2	0	312.414	-1.328	20	0		DAADRP
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O	ZINC001367593219	919504323	/nfs/dbraw/zinc/50/43/23/919504323.db2.gz	JNJYCJCHYZPDOZ-VHSXEESVSA-N	2	0	315.374	-2.268	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@H](O)C[NH2+][C@H]1CCN(C)C1=O	ZINC001367626937	919539064	/nfs/dbraw/zinc/53/90/64/919539064.db2.gz	XRBCFEHEACKUFF-NEPJUHHUSA-N	2	0	300.403	-1.374	20	0		DAADRP
Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001367625501	919539527	/nfs/dbraw/zinc/53/95/27/919539527.db2.gz	QRZUZVNRIAOFII-WCQYABFASA-N	2	0	310.402	-1.276	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001367628049	919539890	/nfs/dbraw/zinc/53/98/90/919539890.db2.gz	WMNPFVRQZCUZNY-RYUDHWBXSA-N	2	0	300.403	-1.517	20	0		DAADRP
CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001367739659	919565386	/nfs/dbraw/zinc/56/53/86/919565386.db2.gz	WRSMAOBLBMTGDP-ONGXEEELSA-N	2	0	301.391	-1.138	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1	ZINC001367922948	919584165	/nfs/dbraw/zinc/58/41/65/919584165.db2.gz	KGDXSUYUFCSXFC-AAEUAGOBSA-N	2	0	312.414	-1.076	20	0		DAADRP
C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1)C(=O)NC(N)=O	ZINC001367994264	919599722	/nfs/dbraw/zinc/59/97/22/919599722.db2.gz	YXHJKYZZBCUZJJ-VHSXEESVSA-N	2	0	311.386	-1.098	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1	ZINC001368292270	919670348	/nfs/dbraw/zinc/67/03/48/919670348.db2.gz	YOEACNRPECSCOS-HIFRSBDPSA-N	2	0	315.414	-1.500	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NCCN1CCC([NH2+]CC(N)=O)CC1	ZINC001368371818	919706655	/nfs/dbraw/zinc/70/66/55/919706655.db2.gz	YBTWLPDRGVVBNH-ZDUSSCGKSA-N	2	0	311.430	-1.264	20	0		DAADRP
C[C@@H]([NH2+]CCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O	ZINC001368410919	919718921	/nfs/dbraw/zinc/71/89/21/919718921.db2.gz	ONKUTQIMKAXUKT-VXGBXAGGSA-N	2	0	300.403	-1.388	20	0		DAADRP
C[C@H]([NH2+]CCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O	ZINC001368410917	919719240	/nfs/dbraw/zinc/71/92/40/919719240.db2.gz	ONKUTQIMKAXUKT-RYUDHWBXSA-N	2	0	300.403	-1.388	20	0		DAADRP
CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CC(=O)NC)C1)[NH+](C)C	ZINC001368513582	919735058	/nfs/dbraw/zinc/73/50/58/919735058.db2.gz	NFWUZZIQKKVGBT-VXGBXAGGSA-N	2	0	300.403	-1.110	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCO)CC(N)=O)CC1	ZINC001368909003	919785265	/nfs/dbraw/zinc/78/52/65/919785265.db2.gz	YDIIPSQEVJBZTP-ZDUSSCGKSA-N	2	0	312.414	-1.149	20	0		DAADRP
C[C@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1	ZINC001369147632	919822929	/nfs/dbraw/zinc/82/29/29/919822929.db2.gz	BUFNOUQZZQNSKJ-NWDGAFQWSA-N	2	0	310.398	-1.227	20	0		DAADRP
NC(=O)NC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ccnc3)[C@@H]2C1	ZINC001369145879	919824789	/nfs/dbraw/zinc/82/47/89/919824789.db2.gz	OBYQQBURIRWAKS-RTCCRHLQSA-N	2	0	320.353	-1.628	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C	ZINC001369273492	919836222	/nfs/dbraw/zinc/83/62/22/919836222.db2.gz	DLVLATZYHJLZDR-JTQLQIEISA-N	2	0	301.391	-1.170	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCC2)CC[N@@H+]1C	ZINC001369320015	919854004	/nfs/dbraw/zinc/85/40/04/919854004.db2.gz	BDQXLBFEUMNBKU-JHJVBQTASA-N	2	0	312.414	-1.374	20	0		DAADRP
CC[C@H]([NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O	ZINC001369325060	919856132	/nfs/dbraw/zinc/85/61/32/919856132.db2.gz	QMJCJUZZVOPVKW-MNOVXSKESA-N	2	0	300.403	-1.199	20	0		DAADRP
CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H](CO)[NH2+]CC(N)=O	ZINC001369332808	919868734	/nfs/dbraw/zinc/86/87/34/919868734.db2.gz	PSXQUVXWAMORRH-NSHDSACASA-N	2	0	316.402	-2.103	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCn1cncn1	ZINC001369342409	919879749	/nfs/dbraw/zinc/87/97/49/919879749.db2.gz	TXLPOSGFJRRSME-OLZOCXBDSA-N	2	0	310.402	-1.171	20	0		DAADRP
Cn1ccc(C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)cc1=O	ZINC001369350010	919888687	/nfs/dbraw/zinc/88/86/87/919888687.db2.gz	QTFCIRCOFQFJFA-ZDUSSCGKSA-N	2	0	310.398	-1.096	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001369354291	919891988	/nfs/dbraw/zinc/89/19/88/919891988.db2.gz	UVOQZCXVYHLQTA-WDEREUQCSA-N	2	0	313.402	-1.027	20	0		DAADRP
CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1	ZINC001369360505	919894756	/nfs/dbraw/zinc/89/47/56/919894756.db2.gz	IALPYPOYZCLNMX-IINYFYTJSA-N	2	0	318.393	-1.249	20	0		DAADRP
CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1	ZINC001369360507	919895997	/nfs/dbraw/zinc/89/59/97/919895997.db2.gz	IALPYPOYZCLNMX-QMTHXVAHSA-N	2	0	318.393	-1.249	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@H](C)C(=O)N(C)C	ZINC001369370778	919907767	/nfs/dbraw/zinc/90/77/67/919907767.db2.gz	FIJCZCZESPBWAU-VXGBXAGGSA-N	2	0	302.419	-1.130	20	0		DAADRP
COC[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001369470140	919948003	/nfs/dbraw/zinc/94/80/03/919948003.db2.gz	NFZPRQTZBRZKCN-IHRRRGAJSA-N	2	0	317.430	-1.113	20	0		DAADRP
CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C)[NH+](C)C	ZINC001369476927	919951271	/nfs/dbraw/zinc/95/12/71/919951271.db2.gz	TYYVDIDWFGMXQL-RYUDHWBXSA-N	2	0	302.419	-1.176	20	0		DAADRP
CC[N@H+](C)CCC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCNC1=O	ZINC001369481306	919956239	/nfs/dbraw/zinc/95/62/39/919956239.db2.gz	QBZGNUCFFKMVPO-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)CC[NH+](C)C	ZINC001369483688	919956979	/nfs/dbraw/zinc/95/69/79/919956979.db2.gz	LOSSOKLNHVGDSO-GFCCVEGCSA-N	2	0	300.403	-1.421	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001370702442	920130624	/nfs/dbraw/zinc/13/06/24/920130624.db2.gz	INFBVFYJLKNYCN-GARJFASQSA-N	2	0	311.386	-1.240	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001370753786	920156431	/nfs/dbraw/zinc/15/64/31/920156431.db2.gz	LESQEBZCEFYKPO-STQMWFEESA-N	2	0	324.425	-1.373	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001370753761	920156844	/nfs/dbraw/zinc/15/68/44/920156844.db2.gz	LESQEBZCEFYKPO-CHWSQXEVSA-N	2	0	324.425	-1.373	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001370753771	920157879	/nfs/dbraw/zinc/15/78/79/920157879.db2.gz	LESQEBZCEFYKPO-OLZOCXBDSA-N	2	0	324.425	-1.373	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)C12CC[NH+](CC1)C2	ZINC001370784838	920174694	/nfs/dbraw/zinc/17/46/94/920174694.db2.gz	DWQMOBJGGFYSLS-GFCCVEGCSA-N	2	0	312.414	-1.373	20	0		DAADRP
CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001371435055	920250982	/nfs/dbraw/zinc/25/09/82/920250982.db2.gz	WVOFXOLNMVTTIF-MWLCHTKSSA-N	2	0	301.391	-1.138	20	0		DAADRP
CC[C@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O)[NH+](C)C	ZINC001371463082	920262259	/nfs/dbraw/zinc/26/22/59/920262259.db2.gz	VGJGIYLXKCCYNL-JHJVBQTASA-N	2	0	314.430	-1.034	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O	ZINC001371473393	920265127	/nfs/dbraw/zinc/26/51/27/920265127.db2.gz	YQHRIEPTHSOQMP-CHWSQXEVSA-N	2	0	312.414	-1.278	20	0		DAADRP
C[C@H]([NH2+]CCN(C)C(=O)CCC[NH+](C)C)C(=O)NC(N)=O	ZINC001372948936	920438230	/nfs/dbraw/zinc/43/82/30/920438230.db2.gz	RMTRNWSDCCCENN-JTQLQIEISA-N	2	0	301.391	-1.040	20	0		DAADRP
C[C@H]([NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NC(N)=O	ZINC001372942578	920439457	/nfs/dbraw/zinc/43/94/57/920439457.db2.gz	FXIHHHZLXAZILA-MNOVXSKESA-N	2	0	313.402	-1.040	20	0		DAADRP
C[C@@H]([NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)NC(N)=O	ZINC001372953590	920442335	/nfs/dbraw/zinc/44/23/35/920442335.db2.gz	YXGSORVSCZPLFT-SNVBAGLBSA-N	2	0	313.402	-1.040	20	0		DAADRP
CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001374284375	920599157	/nfs/dbraw/zinc/59/91/57/920599157.db2.gz	UWFUOGFGQIISOH-UWVGGRQHSA-N	2	0	301.391	-1.042	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O	ZINC001374324157	920600672	/nfs/dbraw/zinc/60/06/72/920600672.db2.gz	FEZPXOGVYWSZPB-NEPJUHHUSA-N	2	0	300.403	-1.124	20	0		DAADRP
C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC(=O)NC(N)=O	ZINC001374388443	920604813	/nfs/dbraw/zinc/60/48/13/920604813.db2.gz	UBXONKAARXNIOJ-MNOVXSKESA-N	2	0	313.402	-1.040	20	0		DAADRP
Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001374668509	920684267	/nfs/dbraw/zinc/68/42/67/920684267.db2.gz	GJNJTZMDJZXXEF-LBPRGKRZSA-N	2	0	308.386	-1.522	20	0		DAADRP
CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC	ZINC001374686091	920693339	/nfs/dbraw/zinc/69/33/39/920693339.db2.gz	SBPUFPRMWTWNLB-NWDGAFQWSA-N	2	0	300.403	-1.327	20	0		DAADRP
COC[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1	ZINC001376048116	920838992	/nfs/dbraw/zinc/83/89/92/920838992.db2.gz	ITNSGDAQVIXEBZ-GZBFAFLISA-N	2	0	315.414	-1.359	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1	ZINC001376370902	920928306	/nfs/dbraw/zinc/92/83/06/920928306.db2.gz	ZRGXSAWZDFBFID-GMTAPVOTSA-N	2	0	311.386	-1.227	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@@H]2C1	ZINC001376413045	920933334	/nfs/dbraw/zinc/93/33/34/920933334.db2.gz	XEDODRDEDFYJDO-TUAOUCFPSA-N	2	0	323.397	-1.334	20	0		DAADRP
CCN1CCO[C@H](C(=O)N[C@@]2(CO)CCC[N@H+](CCO)C2)C1	ZINC001376505649	920960858	/nfs/dbraw/zinc/96/08/58/920960858.db2.gz	WZTNVDQVTOVQTA-ZFWWWQNUSA-N	2	0	315.414	-1.358	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1	ZINC001376546209	920975900	/nfs/dbraw/zinc/97/59/00/920975900.db2.gz	DKXPYQUIJCUJKW-QWHCGFSZSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)C[NH+]2CCCC2)C1	ZINC001376629024	920996320	/nfs/dbraw/zinc/99/63/20/920996320.db2.gz	OEXYWALTOWOHGX-CHWSQXEVSA-N	2	0	312.414	-1.373	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1	ZINC001376857014	921045328	/nfs/dbraw/zinc/04/53/28/921045328.db2.gz	CGUPYWXWTMDMAO-OLZOCXBDSA-N	2	0	312.414	-1.157	20	0		DAADRP
C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001378649039	921988056	/nfs/dbraw/zinc/98/80/56/921988056.db2.gz	PZIANKQPFNWKOL-WDEREUQCSA-N	2	0	310.402	-1.098	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1	ZINC001379208345	922075418	/nfs/dbraw/zinc/07/54/18/922075418.db2.gz	SFAPJPITFKEJOU-WDEREUQCSA-N	2	0	300.403	-1.328	20	0		DAADRP
CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C2([NH+](C)C)CCC2)C1=O	ZINC001379208431	922076504	/nfs/dbraw/zinc/07/65/04/922076504.db2.gz	SPIVCEKUZCNCER-NEPJUHHUSA-N	2	0	312.414	-1.232	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1	ZINC001379208343	922076874	/nfs/dbraw/zinc/07/68/74/922076874.db2.gz	SFAPJPITFKEJOU-QWRGUYRKSA-N	2	0	300.403	-1.328	20	0		DAADRP
COC[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1	ZINC001379236690	922089723	/nfs/dbraw/zinc/08/97/23/922089723.db2.gz	GOMYWPFFSLGRFT-OLZOCXBDSA-N	2	0	303.403	-1.598	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)C1	ZINC001379241030	922091775	/nfs/dbraw/zinc/09/17/75/922091775.db2.gz	JNHXXRJKYAWZPB-RYUDHWBXSA-N	2	0	300.403	-1.517	20	0		DAADRP
C[C@H]([NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)CC(C)(C)C)C(N)=O	ZINC001379241046	922092668	/nfs/dbraw/zinc/09/26/68/922092668.db2.gz	JPBWEGQIDMNYFT-WDEREUQCSA-N	2	0	302.419	-1.095	20	0		DAADRP
C[NH+](C)Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)cc1	ZINC001379255001	922101787	/nfs/dbraw/zinc/10/17/87/922101787.db2.gz	BODFYFVGLVGIRN-ZDUSSCGKSA-N	2	0	308.382	-1.086	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001379258940	922104298	/nfs/dbraw/zinc/10/42/98/922104298.db2.gz	NHBUDPULMZLTDF-RYUDHWBXSA-N	2	0	300.403	-1.469	20	0		DAADRP
C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)COC1CC[NH+](C)CC1	ZINC001379258780	922104644	/nfs/dbraw/zinc/10/46/44/922104644.db2.gz	MOHCYDJGTSSKCN-VXGBXAGGSA-N	2	0	303.403	-1.455	20	0		DAADRP
C[NH+]1CCC(CC(=O)NC[C@@H](O)C[NH2+][C@H]2CCNC2=O)CC1	ZINC001379258432	922104885	/nfs/dbraw/zinc/10/48/85/922104885.db2.gz	PKWHJQDJPIDRGT-STQMWFEESA-N	2	0	312.414	-1.327	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](O)C[NH2+]CC(N)=O	ZINC001379280155	922112075	/nfs/dbraw/zinc/11/20/75/922112075.db2.gz	CMSILEGBASKRRL-GHMZBOCLSA-N	2	0	302.375	-2.493	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](O)C[NH2+]CC(N)=O	ZINC001379280322	922112099	/nfs/dbraw/zinc/11/20/99/922112099.db2.gz	CMSILEGBASKRRL-MNOVXSKESA-N	2	0	302.375	-2.493	20	0		DAADRP
O=C(CCC[NH+]1CCCC1)NC[C@H](O)C[NH2+][C@H]1CCNC1=O	ZINC001379287932	922115563	/nfs/dbraw/zinc/11/55/63/922115563.db2.gz	ILNJXFSXGDAKTM-OLZOCXBDSA-N	2	0	312.414	-1.182	20	0		DAADRP
O=C(CCC[NH+]1CCCC1)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O	ZINC001379287929	922115852	/nfs/dbraw/zinc/11/58/52/922115852.db2.gz	ILNJXFSXGDAKTM-CHWSQXEVSA-N	2	0	312.414	-1.182	20	0		DAADRP
CCCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001379397059	922154330	/nfs/dbraw/zinc/15/43/30/922154330.db2.gz	NDWJXZXLNKLFJM-JHJVBQTASA-N	2	0	314.430	-1.081	20	0		DAADRP
CC(C)[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001379426872	922168813	/nfs/dbraw/zinc/16/88/13/922168813.db2.gz	OJUZYDQJSVLBTD-KOLCDFICSA-N	2	0	317.390	-2.166	20	0		DAADRP
O=C(NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O)C12CCC[NH+]1CCC2	ZINC001379433615	922174819	/nfs/dbraw/zinc/17/48/19/922174819.db2.gz	LCAQJEBGCSBLJM-CHWSQXEVSA-N	2	0	324.425	-1.040	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)C1	ZINC001379473866	922191258	/nfs/dbraw/zinc/19/12/58/922191258.db2.gz	COYHCVCNWJUPRL-STQMWFEESA-N	2	0	310.402	-1.313	20	0		DAADRP
CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2	ZINC001379505409	922206846	/nfs/dbraw/zinc/20/68/46/922206846.db2.gz	NYRAOQNPXPWTER-LBPRGKRZSA-N	2	0	312.414	-1.327	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCN(C)C1=O	ZINC001379504039	922207024	/nfs/dbraw/zinc/20/70/24/922207024.db2.gz	RVONOXKMXYMFAS-RYUDHWBXSA-N	2	0	300.403	-1.374	20	0		DAADRP
O=C(C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)N1CCCC1	ZINC001379502019	922207240	/nfs/dbraw/zinc/20/72/40/922207240.db2.gz	CUKQTAYYBMAFMN-CYBMUJFWSA-N	2	0	324.425	-1.229	20	0		DAADRP
CC(C)CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001379527539	922218970	/nfs/dbraw/zinc/21/89/70/922218970.db2.gz	NPFUBRYUXHYKBF-QWHCGFSZSA-N	2	0	314.430	-1.223	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCN2CCNC2=O)C1	ZINC001379531333	922222705	/nfs/dbraw/zinc/22/27/05/922222705.db2.gz	VQADKLCGBXZBHO-RYUDHWBXSA-N	2	0	313.402	-1.970	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1	ZINC001379601973	922233972	/nfs/dbraw/zinc/23/39/72/922233972.db2.gz	WWIWYBSEDNKWOG-QWRGUYRKSA-N	2	0	313.402	-1.122	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CCC[N@@H+]1C	ZINC001379763489	922252296	/nfs/dbraw/zinc/25/22/96/922252296.db2.gz	WFFDHNNTXZXJLY-ZJUUUORDSA-N	2	0	315.374	-2.316	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001379820439	922272218	/nfs/dbraw/zinc/27/22/18/922272218.db2.gz	FUJZLTNEDXOSCY-CHWSQXEVSA-N	2	0	314.430	-1.032	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001379867709	922282411	/nfs/dbraw/zinc/28/24/11/922282411.db2.gz	HXXMFSJAWGWFCJ-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
CCN1CCO[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)C1	ZINC001379861786	922283799	/nfs/dbraw/zinc/28/37/99/922283799.db2.gz	GWFRFJBICPUALM-GHMZBOCLSA-N	2	0	302.375	-2.399	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001379867702	922285140	/nfs/dbraw/zinc/28/51/40/922285140.db2.gz	HXXMFSJAWGWFCJ-QWHCGFSZSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)NC(N)=O)C2CC2)C1	ZINC001379943419	922300777	/nfs/dbraw/zinc/30/07/77/922300777.db2.gz	YDUGYFJYHLLWGW-QWRGUYRKSA-N	2	0	311.386	-1.383	20	0		DAADRP
COC[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C	ZINC001379969268	922305678	/nfs/dbraw/zinc/30/56/78/922305678.db2.gz	PLTIRWKKDKCALU-MELADBBJSA-N	2	0	317.430	-1.161	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+](C)[C@@H]1CCNC1=O	ZINC001379970100	922311175	/nfs/dbraw/zinc/31/11/75/922311175.db2.gz	KTFFJNCDIMLJEP-QWHCGFSZSA-N	2	0	314.430	-1.034	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1	ZINC001380169690	922337484	/nfs/dbraw/zinc/33/74/84/922337484.db2.gz	MJSSYEVYIPQJAS-JTQLQIEISA-N	2	0	311.386	-1.368	20	0		DAADRP
CC[C@H](C(=O)N(CCO)CC[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C	ZINC001380765493	922453804	/nfs/dbraw/zinc/45/38/04/922453804.db2.gz	MDADSBWALIACLW-QWHCGFSZSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[N@@H+]1CCCC[C@@H]1C(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O	ZINC001380767872	922453994	/nfs/dbraw/zinc/45/39/94/922453994.db2.gz	RCRXRHRVSNMZGF-QWHCGFSZSA-N	2	0	312.414	-1.230	20	0		DAADRP
CC(C)[C@H](C(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1)[NH+](C)C	ZINC001380913078	922475023	/nfs/dbraw/zinc/47/50/23/922475023.db2.gz	NYYVRHYBDPQSOF-WCQYABFASA-N	2	0	300.403	-1.125	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1	ZINC001380922002	922476663	/nfs/dbraw/zinc/47/66/63/922476663.db2.gz	XCCIUAHXWRHZIH-QWHCGFSZSA-N	2	0	312.414	-1.014	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1	ZINC001380922000	922477652	/nfs/dbraw/zinc/47/76/52/922477652.db2.gz	XCCIUAHXWRHZIH-CHWSQXEVSA-N	2	0	312.414	-1.014	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1	ZINC001381042907	922493796	/nfs/dbraw/zinc/49/37/96/922493796.db2.gz	ITPSDDFARUXPIN-WFASDCNBSA-N	2	0	312.414	-1.101	20	0		DAADRP
CC[N@H+](C)CCC(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1	ZINC001381038291	922495041	/nfs/dbraw/zinc/49/50/41/922495041.db2.gz	AABGENJFEYOZSY-AWEZNQCLSA-N	2	0	300.403	-1.243	20	0		DAADRP
C[C@H]([NH2+][C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C	ZINC001382232355	922632559	/nfs/dbraw/zinc/63/25/59/922632559.db2.gz	CGVPGAOADYIYJY-NWDGAFQWSA-N	2	0	314.430	-1.128	20	0		DAADRP
CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(=O)NC)[NH+](C)C	ZINC001382242721	922636321	/nfs/dbraw/zinc/63/63/21/922636321.db2.gz	OXUNBHYTKOYVPU-UWVGGRQHSA-N	2	0	317.390	-2.151	20	0		DAADRP
CN(C(=O)C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)C1CC1	ZINC001382263067	922652711	/nfs/dbraw/zinc/65/27/11/922652711.db2.gz	DHEHPHCCVTYSGA-LBPRGKRZSA-N	2	0	324.425	-1.230	20	0		DAADRP
CCN(CC)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001382270815	922657262	/nfs/dbraw/zinc/65/72/62/922657262.db2.gz	DRPYYXARJKLTQM-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(C)(C)C)C1	ZINC001382273618	922659462	/nfs/dbraw/zinc/65/94/62/922659462.db2.gz	LRXSJPFGTPOAAU-NEPJUHHUSA-N	2	0	314.430	-1.081	20	0		DAADRP
C[C@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O	ZINC001382277189	922661501	/nfs/dbraw/zinc/66/15/01/922661501.db2.gz	ZYCNVHHREXZXJJ-VHSXEESVSA-N	2	0	315.374	-2.268	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC2CC2)C1	ZINC001382275832	922661687	/nfs/dbraw/zinc/66/16/87/922661687.db2.gz	UGDKXPXKXUPEBX-STQMWFEESA-N	2	0	312.414	-1.469	20	0		DAADRP
CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001382433662	922747123	/nfs/dbraw/zinc/74/71/23/922747123.db2.gz	LKBKFFOTESUWTO-UWVGGRQHSA-N	2	0	317.390	-2.070	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001382439926	922751209	/nfs/dbraw/zinc/75/12/09/922751209.db2.gz	HGJRFWUTNSYNJE-QWHCGFSZSA-N	2	0	314.430	-1.128	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)C[NH+]1CCCC1	ZINC001382445789	922759887	/nfs/dbraw/zinc/75/98/87/922759887.db2.gz	RFUCQAAENHDLJU-CHWSQXEVSA-N	2	0	312.414	-1.230	20	0		DAADRP
COC[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C	ZINC001382476412	922778133	/nfs/dbraw/zinc/77/81/33/922778133.db2.gz	PLTIRWKKDKCALU-BFHYXJOUSA-N	2	0	317.430	-1.161	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[NH+](C)C1	ZINC001382554857	922807047	/nfs/dbraw/zinc/80/70/47/922807047.db2.gz	DVAMISADLIUXGF-OLZOCXBDSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)NC(=O)Cc2ncc[nH]2)C1	ZINC001382627095	922823161	/nfs/dbraw/zinc/82/31/61/922823161.db2.gz	BVNIPTJPEZVENX-VXGBXAGGSA-N	2	0	323.397	-1.113	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)NC(=O)CC[NH+](C)C)C1	ZINC001382632939	922825482	/nfs/dbraw/zinc/82/54/82/922825482.db2.gz	UJTYYALZMSUBIF-OLZOCXBDSA-N	2	0	314.430	-1.127	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[NH+](C)C1	ZINC001383926282	922978680	/nfs/dbraw/zinc/97/86/80/922978680.db2.gz	KVTSIMYJUPCUCI-OLZOCXBDSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1O	ZINC001384798042	923118705	/nfs/dbraw/zinc/11/87/05/923118705.db2.gz	HRPCQUUHFNUECN-STQMWFEESA-N	2	0	314.430	-1.032	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1O	ZINC001384798040	923119283	/nfs/dbraw/zinc/11/92/83/923119283.db2.gz	HRPCQUUHFNUECN-QWHCGFSZSA-N	2	0	314.430	-1.032	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C	ZINC001390464979	923748060	/nfs/dbraw/zinc/74/80/60/923748060.db2.gz	FFNZWWOWTVORAS-JTQLQIEISA-N	2	0	301.391	-1.122	20	0		DAADRP
CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)C1	ZINC001390566343	923757668	/nfs/dbraw/zinc/75/76/68/923757668.db2.gz	XKYBYNYZIFBSFS-NSHDSACASA-N	2	0	313.402	-1.026	20	0		DAADRP
C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001392125878	923938602	/nfs/dbraw/zinc/93/86/02/923938602.db2.gz	QVAXITGIRGGANE-QWRGUYRKSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C[C@H]1CC[N@H+](C)C1	ZINC001392125880	923938764	/nfs/dbraw/zinc/93/87/64/923938764.db2.gz	QVAXITGIRGGANE-WDEREUQCSA-N	2	0	313.402	-1.040	20	0		DAADRP
CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O	ZINC001392135287	923942159	/nfs/dbraw/zinc/94/21/59/923942159.db2.gz	SDKXNTHZQOTOFW-JTQLQIEISA-N	2	0	301.391	-1.040	20	0		DAADRP
CCCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001392365739	923977791	/nfs/dbraw/zinc/97/77/91/923977791.db2.gz	OCNUGOLUQIEEGN-NWDGAFQWSA-N	2	0	300.403	-1.327	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001392367308	923978145	/nfs/dbraw/zinc/97/81/45/923978145.db2.gz	RSTHCUFUNXFMTN-NEPJUHHUSA-N	2	0	300.403	-1.374	20	0		DAADRP
CCCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001392365750	923979477	/nfs/dbraw/zinc/97/94/77/923979477.db2.gz	OCNUGOLUQIEEGN-VXGBXAGGSA-N	2	0	300.403	-1.327	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001392374356	923986125	/nfs/dbraw/zinc/98/61/25/923986125.db2.gz	JVEKVKSGFMBBET-CHWSQXEVSA-N	2	0	312.414	-1.469	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001392374362	923986816	/nfs/dbraw/zinc/98/68/16/923986816.db2.gz	JVEKVKSGFMBBET-QWHCGFSZSA-N	2	0	312.414	-1.469	20	0		DAADRP
CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C2CCC2)C1=O	ZINC001392376827	923988101	/nfs/dbraw/zinc/98/81/01/923988101.db2.gz	RADHILNUVROJCT-OLZOCXBDSA-N	2	0	312.414	-1.232	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1	ZINC001392390002	924002297	/nfs/dbraw/zinc/00/22/97/924002297.db2.gz	FXWRNQJFUFKHQA-LBPRGKRZSA-N	2	0	300.403	-1.517	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1	ZINC001392396205	924010202	/nfs/dbraw/zinc/01/02/02/924010202.db2.gz	UUAUALQFRIIQAL-LBPRGKRZSA-N	2	0	300.403	-1.373	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001392403336	924014175	/nfs/dbraw/zinc/01/41/75/924014175.db2.gz	UXUWSAWCIXWQHD-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
CC(C)[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)CC1	ZINC001392409896	924017947	/nfs/dbraw/zinc/01/79/47/924017947.db2.gz	NCRBFZLTGXWZAS-GFCCVEGCSA-N	2	0	300.403	-1.341	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001392427012	924028142	/nfs/dbraw/zinc/02/81/42/924028142.db2.gz	SLRLKXQNPOQSJZ-CHWSQXEVSA-N	2	0	314.430	-1.081	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001392429979	924032053	/nfs/dbraw/zinc/03/20/53/924032053.db2.gz	SQOFDDYVAFBNAI-UWVGGRQHSA-N	2	0	315.374	-2.540	20	0		DAADRP
C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)C12CC[NH+](CC1)C2	ZINC001392522708	924042414	/nfs/dbraw/zinc/04/24/14/924042414.db2.gz	CKWSTGICPJYZNM-NXEZZACHSA-N	2	0	311.386	-1.240	20	0		DAADRP
CC[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1	ZINC001393271703	924142872	/nfs/dbraw/zinc/14/28/72/924142872.db2.gz	BVQBGOUWWPFZOT-WFASDCNBSA-N	2	0	312.414	-1.101	20	0		DAADRP
CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001393277011	924148346	/nfs/dbraw/zinc/14/83/46/924148346.db2.gz	AFKHGTNAVILBRV-BLLLJJGKSA-N	2	0	324.425	-1.230	20	0		DAADRP
CC[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1	ZINC001393283302	924151843	/nfs/dbraw/zinc/15/18/43/924151843.db2.gz	YJUAPLLKYOZBEX-RISCZKNCSA-N	2	0	300.403	-1.245	20	0		DAADRP
C[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)N(C)C	ZINC001393456699	924209268	/nfs/dbraw/zinc/20/92/68/924209268.db2.gz	FFZWYDMHJPNJET-CHWSQXEVSA-N	2	0	314.430	-1.032	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001393469719	924214558	/nfs/dbraw/zinc/21/45/58/924214558.db2.gz	ZPAWESRNMUBPNA-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001393466627	924215023	/nfs/dbraw/zinc/21/50/23/924215023.db2.gz	DCHUKKWAERWVAI-CYBMUJFWSA-N	2	0	324.425	-1.277	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1	ZINC001393910590	924266965	/nfs/dbraw/zinc/26/69/65/924266965.db2.gz	ZSOKATBYIKRDDS-UHFFFAOYSA-N	2	0	323.397	-1.239	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C	ZINC001393964122	924270767	/nfs/dbraw/zinc/27/07/67/924270767.db2.gz	BQBYGYDZCGSBGF-VHSXEESVSA-N	2	0	301.391	-1.124	20	0		DAADRP
C[NH+]1CCC(OCC(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1	ZINC001394312548	924296486	/nfs/dbraw/zinc/29/64/86/924296486.db2.gz	AEKPPYPSCXMNQY-ZSOGYDGISA-N	2	0	324.425	-1.124	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1	ZINC001394561777	924306916	/nfs/dbraw/zinc/30/69/16/924306916.db2.gz	YGZJVZCZIAFXKQ-LLVKDONJSA-N	2	0	313.402	-1.026	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCN1CCCC1=O	ZINC001394585318	924322046	/nfs/dbraw/zinc/32/20/46/924322046.db2.gz	YONCMVOORPIPTK-OLZOCXBDSA-N	2	0	312.414	-1.230	20	0		DAADRP
Cc1c(C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)ccc2c[nH+]cn21	ZINC001394601415	924332026	/nfs/dbraw/zinc/33/20/26/924332026.db2.gz	FLGQOSMWDJKGBJ-JTQLQIEISA-N	2	0	305.338	-1.192	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1	ZINC001394607810	924336304	/nfs/dbraw/zinc/33/63/04/924336304.db2.gz	PBUAUJUBGYOJAL-MNOVXSKESA-N	2	0	300.403	-1.328	20	0		DAADRP
CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1	ZINC001394614289	924339017	/nfs/dbraw/zinc/33/90/17/924339017.db2.gz	WQIMREMHGAMEKX-NSHDSACASA-N	2	0	300.403	-1.374	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1	ZINC001394633794	924346707	/nfs/dbraw/zinc/34/67/07/924346707.db2.gz	SNMICDBHUWZTRI-DGCLKSJQSA-N	2	0	314.430	-1.081	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O)C1	ZINC001394657048	924357324	/nfs/dbraw/zinc/35/73/24/924357324.db2.gz	NWSUNOLHEQQNQN-MNOVXSKESA-N	2	0	307.416	-1.951	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C	ZINC001394733501	924366838	/nfs/dbraw/zinc/36/68/38/924366838.db2.gz	VISGSIVGKZIQMD-NEPJUHHUSA-N	2	0	300.403	-1.422	20	0		DAADRP
CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCC1)[NH+](C)C	ZINC001394738072	924370576	/nfs/dbraw/zinc/37/05/76/924370576.db2.gz	BOAOTABOFJAYPM-QWHCGFSZSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O	ZINC001394752336	924376342	/nfs/dbraw/zinc/37/63/42/924376342.db2.gz	CFFWYWMCSCLWDD-VXGBXAGGSA-N	2	0	316.402	-2.151	20	0		DAADRP
CN(C[C@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)CC[NH+](C)C	ZINC001394761945	924380420	/nfs/dbraw/zinc/38/04/20/924380420.db2.gz	OYJVFJZGSUGXRL-SNVBAGLBSA-N	2	0	314.390	-2.031	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)C23CC[NH+](CC2)C3)C1	ZINC001395733999	924454596	/nfs/dbraw/zinc/45/45/96/924454596.db2.gz	DMPSADHQWZRPQG-STQMWFEESA-N	2	0	324.425	-1.373	20	0		DAADRP
CC[NH+](CC)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1	ZINC001395737755	924456345	/nfs/dbraw/zinc/45/63/45/924456345.db2.gz	QBJYYRWYLAIWQM-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
CC[NH+](CC)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1	ZINC001395737754	924457116	/nfs/dbraw/zinc/45/71/16/924457116.db2.gz	QBJYYRWYLAIWQM-QWHCGFSZSA-N	2	0	314.430	-1.127	20	0		DAADRP
CN(C[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001396036102	924503689	/nfs/dbraw/zinc/50/36/89/924503689.db2.gz	NKIAPSXNHRZJDU-QWHCGFSZSA-N	2	0	314.430	-1.032	20	0		DAADRP
CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1	ZINC001396395647	924519217	/nfs/dbraw/zinc/51/92/17/924519217.db2.gz	ZEYFUBHGLNMLPO-CHWSQXEVSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O	ZINC001396436971	924527247	/nfs/dbraw/zinc/52/72/47/924527247.db2.gz	BQTGHSSLNKTILX-NEPJUHHUSA-N	2	0	300.403	-1.422	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001399829763	924740330	/nfs/dbraw/zinc/74/03/30/924740330.db2.gz	IHEQTUCHOZIHEY-CHWSQXEVSA-N	2	0	324.425	-1.373	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001399829772	924740377	/nfs/dbraw/zinc/74/03/77/924740377.db2.gz	IHEQTUCHOZIHEY-OLZOCXBDSA-N	2	0	324.425	-1.373	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[NH+](C)C1	ZINC001399858596	924747025	/nfs/dbraw/zinc/74/70/25/924747025.db2.gz	SBVMZKTUVKHSBX-QWHCGFSZSA-N	2	0	314.430	-1.127	20	0		DAADRP
CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)c1cnn(CC[NH+](C)C)c1	ZINC001400066942	924769034	/nfs/dbraw/zinc/76/90/34/924769034.db2.gz	QHNBUZMKOUIYCE-CYBMUJFWSA-N	2	0	322.413	-1.005	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001401123080	924843538	/nfs/dbraw/zinc/84/35/38/924843538.db2.gz	IYOCKWOHJHLXGG-GHMZBOCLSA-N	2	0	313.402	-1.122	20	0		DAADRP
O=C(NC[C@H](O)C[NH2+][C@H]1CCNC1=O)C12CCC[NH+]1CCC2	ZINC001401548114	924885047	/nfs/dbraw/zinc/88/50/47/924885047.db2.gz	ANFMJZIBYJQUIC-NEPJUHHUSA-N	2	0	310.398	-1.430	20	0		DAADRP
CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C2CC[NH+](C)CC2)C1=O	ZINC001401556185	924887964	/nfs/dbraw/zinc/88/79/64/924887964.db2.gz	NTXAQKAJUQUKHR-OLZOCXBDSA-N	2	0	312.414	-1.374	20	0		DAADRP
C[NH+](C)C1(C(=O)NC[C@@H](O)C[NH2+][C@H]2CCCNC2=O)CCC1	ZINC001401556862	924889014	/nfs/dbraw/zinc/88/90/14/924889014.db2.gz	QRJRWLWLFXNHBV-RYUDHWBXSA-N	2	0	312.414	-1.184	20	0		DAADRP
CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O	ZINC001401560299	924890808	/nfs/dbraw/zinc/89/08/08/924890808.db2.gz	NKTMNKIWMKSGTM-VXGBXAGGSA-N	2	0	300.403	-1.199	20	0		DAADRP
CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1	ZINC001401563094	924891895	/nfs/dbraw/zinc/89/18/95/924891895.db2.gz	VMHHJXMEZIUNOL-IINYFYTJSA-N	2	0	318.393	-1.249	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001401563453	924892641	/nfs/dbraw/zinc/89/26/41/924892641.db2.gz	HXAJTZWLSSXING-SDDRHHMPSA-N	2	0	300.403	-1.471	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NCCN2CCC([NH2+]CC(N)=O)CC2)C1	ZINC001402430803	924994092	/nfs/dbraw/zinc/99/40/92/924994092.db2.gz	IETPEBJXEWQONU-GFCCVEGCSA-N	2	0	311.430	-1.406	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NCCN1CCC([NH2+]CC(N)=O)CC1	ZINC001402431686	924994443	/nfs/dbraw/zinc/99/44/43/924994443.db2.gz	IQLZNQMFAZVIQR-UHFFFAOYSA-N	2	0	313.446	-1.018	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NCCN2CCC([NH2+]CC(N)=O)CC2)C1	ZINC001402430860	924995485	/nfs/dbraw/zinc/99/54/85/924995485.db2.gz	IETPEBJXEWQONU-LBPRGKRZSA-N	2	0	311.430	-1.406	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](C[NH2+]CC(=O)N3CCC3)C2)C1	ZINC001402595881	925015654	/nfs/dbraw/zinc/01/56/54/925015654.db2.gz	KONJVIRXFFXPNO-KBPBESRZSA-N	2	0	324.425	-1.013	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001402605498	925017913	/nfs/dbraw/zinc/01/79/13/925017913.db2.gz	PYSRVACNGIMAHQ-LBPRGKRZSA-N	2	0	300.403	-1.157	20	0		DAADRP
C[NH+]1CCC(C(=O)N2CCC[C@](CO)([NH2+]CC(N)=O)C2)CC1	ZINC001402721544	925025737	/nfs/dbraw/zinc/02/57/37/925025737.db2.gz	ODJNUKHMCAXACN-HNNXBMFYSA-N	2	0	312.414	-1.243	20	0		DAADRP
CNC(=O)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1	ZINC001402753768	925026722	/nfs/dbraw/zinc/02/67/22/925026722.db2.gz	YLVILDBXXHVSQF-LBPRGKRZSA-N	2	0	312.414	-1.061	20	0		DAADRP
C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1[NH2+]CC(=O)NC(N)=O	ZINC001402769393	925028956	/nfs/dbraw/zinc/02/89/56/925028956.db2.gz	BZJNLWLTBRBWHY-QWRGUYRKSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH2+]CC(=O)NC(N)=O	ZINC001403049841	925049854	/nfs/dbraw/zinc/04/98/54/925049854.db2.gz	YIXZSGUXLKCLSG-NXEZZACHSA-N	2	0	311.386	-1.240	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1	ZINC001403248524	925066192	/nfs/dbraw/zinc/06/61/92/925066192.db2.gz	CEMQOBWIUXIOMM-NSHDSACASA-N	2	0	313.402	-1.040	20	0		DAADRP
CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1	ZINC001403243464	925066439	/nfs/dbraw/zinc/06/64/39/925066439.db2.gz	FWEAEOCCWBNTDT-LLVKDONJSA-N	2	0	313.402	-1.039	20	0		DAADRP
CNC(=O)NC(=O)CN1CC([C@H](C)NC(=O)CC[NH+](C)C)C1	ZINC001403321138	925070702	/nfs/dbraw/zinc/07/07/02/925070702.db2.gz	IZYYMKSBSPRTCG-JTQLQIEISA-N	2	0	313.402	-1.170	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O	ZINC001403624190	925091578	/nfs/dbraw/zinc/09/15/78/925091578.db2.gz	OEMMXEHRMCDPFT-SNVBAGLBSA-N	2	0	301.391	-1.042	20	0		DAADRP
C[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCCNC2=O)CC1	ZINC001403693479	925118722	/nfs/dbraw/zinc/11/87/22/925118722.db2.gz	BQQBGZBDNXRKED-STQMWFEESA-N	2	0	312.414	-1.327	20	0		DAADRP
CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001403707337	925124697	/nfs/dbraw/zinc/12/46/97/925124697.db2.gz	VGRAXKYBMHWSAG-IUCAKERBSA-N	2	0	303.363	-2.412	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCCC2)C1	ZINC001403751505	925137092	/nfs/dbraw/zinc/13/70/92/925137092.db2.gz	QVYOAYUVSPTTMM-STQMWFEESA-N	2	0	312.414	-1.373	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001403854520	925155062	/nfs/dbraw/zinc/15/50/62/925155062.db2.gz	RPVJNQBYIVSRON-NEPJUHHUSA-N	2	0	300.403	-1.245	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C	ZINC001403856066	925156085	/nfs/dbraw/zinc/15/60/85/925156085.db2.gz	RCXGMCDZYVBEAI-CHWSQXEVSA-N	2	0	314.430	-1.032	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2	ZINC001403875081	925160345	/nfs/dbraw/zinc/16/03/45/925160345.db2.gz	FFMOORGYOVQJHY-NEPJUHHUSA-N	2	0	312.414	-1.374	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O	ZINC001403878597	925162466	/nfs/dbraw/zinc/16/24/66/925162466.db2.gz	KSNFJNHHOSNXIX-STQMWFEESA-N	2	0	314.430	-1.034	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O	ZINC001403878595	925162483	/nfs/dbraw/zinc/16/24/83/925162483.db2.gz	KSNFJNHHOSNXIX-QWHCGFSZSA-N	2	0	314.430	-1.034	20	0		DAADRP
C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)COC1CC[NH+](C)CC1	ZINC001403887628	925164358	/nfs/dbraw/zinc/16/43/58/925164358.db2.gz	YPIBXHVHQNBWTP-OLZOCXBDSA-N	2	0	317.430	-1.113	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)NC(N)=O)C1	ZINC001404041512	925179529	/nfs/dbraw/zinc/17/95/29/925179529.db2.gz	PCQBLVRBUDYNEN-MNOVXSKESA-N	2	0	311.386	-1.286	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1	ZINC001404041520	925179853	/nfs/dbraw/zinc/17/98/53/925179853.db2.gz	PCQBLVRBUDYNEN-QWRGUYRKSA-N	2	0	311.386	-1.286	20	0		DAADRP
C[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)CC(=O)NC(N)=O)C1	ZINC001404590245	925206638	/nfs/dbraw/zinc/20/66/38/925206638.db2.gz	KOJUZMMZPBWDLY-LLVKDONJSA-N	2	0	313.402	-1.087	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001405334812	925289991	/nfs/dbraw/zinc/28/99/91/925289991.db2.gz	LMPIMIFNNNZOIH-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
O=C(C[NH+]1CCCC1)N[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2	ZINC001405345657	925293890	/nfs/dbraw/zinc/29/38/90/925293890.db2.gz	UDHILMPERZVBRV-ZDUSSCGKSA-N	2	0	324.425	-1.229	20	0		DAADRP
C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]CC(=O)NC(N)=O	ZINC001405702056	925332654	/nfs/dbraw/zinc/33/26/54/925332654.db2.gz	WOVVGOSHADTKSZ-JTQLQIEISA-N	2	0	313.402	-1.135	20	0		DAADRP
C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)c1ccn(CC[NH+](C)C)n1	ZINC001405822010	925337348	/nfs/dbraw/zinc/33/73/48/925337348.db2.gz	YUMGLAKMZCKLDD-LLVKDONJSA-N	2	0	310.402	-1.020	20	0		DAADRP
CCCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001406217646	925360478	/nfs/dbraw/zinc/36/04/78/925360478.db2.gz	NGQOIQATTRRTCN-JHJVBQTASA-N	2	0	314.430	-1.081	20	0		DAADRP
CC(C)(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)[NH+]1CCCCC1	ZINC001406228624	925365758	/nfs/dbraw/zinc/36/57/58/925365758.db2.gz	YNWNBVVETONROC-LLVKDONJSA-N	2	0	300.403	-1.197	20	0		DAADRP
Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C1CCC1	ZINC001406244072	925373634	/nfs/dbraw/zinc/37/36/34/925373634.db2.gz	MMFFBVCSZCADCB-ZDUSSCGKSA-N	2	0	310.402	-1.134	20	0		DAADRP
CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC	ZINC001406252545	925376527	/nfs/dbraw/zinc/37/65/27/925376527.db2.gz	XUCRRZPMUVPQFB-NEPJUHHUSA-N	2	0	300.403	-1.327	20	0		DAADRP
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O	ZINC001406254108	925378841	/nfs/dbraw/zinc/37/88/41/925378841.db2.gz	MTPBUGGENQRIQU-NWDGAFQWSA-N	2	0	300.403	-1.341	20	0		DAADRP
CN1CCC[C@@H]([NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)C1=O	ZINC001406253524	925379926	/nfs/dbraw/zinc/37/99/26/925379926.db2.gz	CRMXIYIWMRNCKP-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
Cn1[nH]c(C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)nc1=O	ZINC001406255214	925380240	/nfs/dbraw/zinc/38/02/40/925380240.db2.gz	GIDHSTNVQHESDD-SECBINFHSA-N	2	0	300.363	-2.373	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1	ZINC001406263866	925385536	/nfs/dbraw/zinc/38/55/36/925385536.db2.gz	FZDHGAQQLVCJQJ-WDEREUQCSA-N	2	0	300.403	-1.471	20	0		DAADRP
O=C(C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)NCC1CC1	ZINC001406284048	925393689	/nfs/dbraw/zinc/39/36/89/925393689.db2.gz	OBXYDOVDYXOYPD-ZDUSSCGKSA-N	2	0	324.425	-1.325	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C(C)C)CC1	ZINC001406297090	925398539	/nfs/dbraw/zinc/39/85/39/925398539.db2.gz	ZMWFJFRIRGPHDU-CYBMUJFWSA-N	2	0	314.430	-1.081	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)N(C)C	ZINC001406315692	925401321	/nfs/dbraw/zinc/40/13/21/925401321.db2.gz	ZFPUPEFYSRSDLC-VXGBXAGGSA-N	2	0	302.419	-1.130	20	0		DAADRP
C[C@H]([NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCC(C)CC1)C(N)=O	ZINC001406299455	925401989	/nfs/dbraw/zinc/40/19/89/925401989.db2.gz	ZQLOOVNSVCYQNS-NWDGAFQWSA-N	2	0	300.403	-1.341	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C	ZINC001406406072	925413400	/nfs/dbraw/zinc/41/34/00/925413400.db2.gz	MQMWSLPLKQEDIQ-ZJUUUORDSA-N	2	0	301.391	-1.124	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NC(N)=O)C1	ZINC001407115864	925453278	/nfs/dbraw/zinc/45/32/78/925453278.db2.gz	SSGRMABIFWWTLD-WDEREUQCSA-N	2	0	311.386	-1.286	20	0		DAADRP
COC[C@H](C)N1CC(O)(CNC(=O)CCN2CCOCC2)C1	ZINC001407429665	925491262	/nfs/dbraw/zinc/49/12/62/925491262.db2.gz	JOKQZJFQPLXWPS-ZDUSSCGKSA-N	2	0	315.414	-1.094	20	0		DAADRP
O=C(N(CCO)CC[NH2+][C@H]1CCCNC1=O)C12CC[NH+](CC1)C2	ZINC001407658970	925515933	/nfs/dbraw/zinc/51/59/33/925515933.db2.gz	MIFJNLBBTWCUJV-ZDUSSCGKSA-N	2	0	324.425	-1.229	20	0		DAADRP
NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1	ZINC001407850672	925530920	/nfs/dbraw/zinc/53/09/20/925530920.db2.gz	DVLMMSYBSXPBOA-GFCCVEGCSA-N	2	0	310.398	-1.083	20	0		DAADRP
CN(CCC[N@H+](C)CC(=O)NC(N)=O)C(=O)CC[NH+](C)C	ZINC001407923314	925535285	/nfs/dbraw/zinc/53/52/85/925535285.db2.gz	HTEKHKDZGRHDQR-UHFFFAOYSA-N	2	0	301.391	-1.087	20	0		DAADRP
C[NH+](C)CCCC(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1	ZINC001408049326	925543124	/nfs/dbraw/zinc/54/31/24/925543124.db2.gz	NVZREPDEJUSYGA-CQSZACIVSA-N	2	0	300.403	-1.243	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001408087009	925545704	/nfs/dbraw/zinc/54/57/04/925545704.db2.gz	ULMBDVSDYIUNNG-WDEREUQCSA-N	2	0	313.402	-1.042	20	0		DAADRP
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1	ZINC001408147387	925550820	/nfs/dbraw/zinc/55/08/20/925550820.db2.gz	WGSSZLCYAHESDE-GFCCVEGCSA-N	2	0	312.414	-1.101	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001410075271	925673708	/nfs/dbraw/zinc/67/37/08/925673708.db2.gz	CUAFNVITBCFSEB-QWHCGFSZSA-N	2	0	324.425	-1.230	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001410075169	925673784	/nfs/dbraw/zinc/67/37/84/925673784.db2.gz	CUAFNVITBCFSEB-CHWSQXEVSA-N	2	0	324.425	-1.230	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001410128921	925690588	/nfs/dbraw/zinc/69/05/88/925690588.db2.gz	LWPDMGLYKLRWAK-NEPJUHHUSA-N	2	0	300.403	-1.517	20	0		DAADRP
C[NH+](C)C1(C(=O)NC[C@H](CO)[NH2+][C@H]2CCCNC2=O)CCC1	ZINC001410665087	925754066	/nfs/dbraw/zinc/75/40/66/925754066.db2.gz	WTWHRZOJCIYHSZ-NEPJUHHUSA-N	2	0	312.414	-1.184	20	0		DAADRP
CC[C@H]([NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O	ZINC001410680314	925754983	/nfs/dbraw/zinc/75/49/83/925754983.db2.gz	BQUZWEVWLXGDOA-RYUDHWBXSA-N	2	0	312.414	-1.055	20	0		DAADRP
CC[C@H]([NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O	ZINC001410680303	925755770	/nfs/dbraw/zinc/75/57/70/925755770.db2.gz	BQUZWEVWLXGDOA-NEPJUHHUSA-N	2	0	312.414	-1.055	20	0		DAADRP
C[C@@H]([NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)C(=O)NC(N)=O	ZINC001410728735	925768227	/nfs/dbraw/zinc/76/82/27/925768227.db2.gz	KFDGSMWJOYBMQH-BDAKNGLRSA-N	2	0	303.363	-2.412	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCC2)C1	ZINC001410754561	925771337	/nfs/dbraw/zinc/77/13/37/925771337.db2.gz	OTMHBJOZYQYNLC-QWHCGFSZSA-N	2	0	312.414	-1.373	20	0		DAADRP
CN(C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1	ZINC001410775829	925778041	/nfs/dbraw/zinc/77/80/41/925778041.db2.gz	AJZZRDWDOVXIAY-NWDGAFQWSA-N	2	0	312.414	-1.374	20	0		DAADRP
C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)C1CCC1)C(N)=O	ZINC001411036775	925802986	/nfs/dbraw/zinc/80/29/86/925802986.db2.gz	BSRREHCTTIDDBF-CMPLNLGQSA-N	2	0	300.403	-1.247	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)C1(C[NH+](C)C)CC1	ZINC001411101612	925813634	/nfs/dbraw/zinc/81/36/34/925813634.db2.gz	WREWPZCUXRJTGT-NEPJUHHUSA-N	2	0	312.414	-1.374	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)C1(C[NH+](C)C)CC1	ZINC001411101616	925813916	/nfs/dbraw/zinc/81/39/16/925813916.db2.gz	WREWPZCUXRJTGT-NWDGAFQWSA-N	2	0	312.414	-1.374	20	0		DAADRP
C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1)C(=O)N(C)C	ZINC001411131561	925817491	/nfs/dbraw/zinc/81/74/91/925817491.db2.gz	WQKHFCULEYRSKU-STQMWFEESA-N	2	0	314.430	-1.032	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001411138478	925819150	/nfs/dbraw/zinc/81/91/50/925819150.db2.gz	LVEWAOCBNPMCPJ-CHWSQXEVSA-N	2	0	312.414	-1.421	20	0		DAADRP
CN(C[C@@H](O)C[N@H+](C)[C@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001411177649	925828497	/nfs/dbraw/zinc/82/84/97/925828497.db2.gz	DBPZLRKZWAMTMX-STQMWFEESA-N	2	0	324.425	-1.278	20	0		DAADRP
CCC[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH+](C)[C@@H]1CCNC1=O	ZINC001411180202	925830907	/nfs/dbraw/zinc/83/09/07/925830907.db2.gz	OEYUIJBOMVNAOI-CHWSQXEVSA-N	2	0	314.430	-1.032	20	0		DAADRP
CN(C[C@H](O)C[N@H+](C)[C@@H]1CCCNC1=O)C(=O)CC[NH+](C)C	ZINC001411190820	925832015	/nfs/dbraw/zinc/83/20/15/925832015.db2.gz	NOAAAPOWLLYPGU-CHWSQXEVSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[NH+](C)CC1(O)CC[NH+](Cc2cc(=O)n3nc(N)[nH]c3n2)CC1	ZINC001413034063	926005501	/nfs/dbraw/zinc/00/55/01/926005501.db2.gz	HBJXKGZGKIDRLK-UHFFFAOYSA-N	2	0	321.385	-1.112	20	0		DAADRP
C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cn(CC(N)=O)nn1	ZINC001413152803	926012795	/nfs/dbraw/zinc/01/27/95/926012795.db2.gz	NSHUBUIXZWCVOG-LBPRGKRZSA-N	2	0	309.418	-1.121	20	0		DAADRP
C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cn(CC(N)=O)nn1	ZINC001413152799	926013648	/nfs/dbraw/zinc/01/36/48/926013648.db2.gz	NSHUBUIXZWCVOG-GFCCVEGCSA-N	2	0	309.418	-1.121	20	0		DAADRP
CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)CC[NH+](C)C	ZINC001413326639	926037310	/nfs/dbraw/zinc/03/73/10/926037310.db2.gz	COSACQPYPORIEO-STQMWFEESA-N	2	0	314.430	-1.175	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)CNC(=O)CC[NH+](C)C)C1	ZINC001416783466	926274565	/nfs/dbraw/zinc/27/45/65/926274565.db2.gz	XGQUQRHBQLHCDF-QWHCGFSZSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)CNC(=O)CC[NH+](C)C)C1	ZINC001416783468	926275067	/nfs/dbraw/zinc/27/50/67/926275067.db2.gz	XGQUQRHBQLHCDF-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)CNC(=O)CC[NH+](C)C)C1	ZINC001416783457	926275167	/nfs/dbraw/zinc/27/51/67/926275167.db2.gz	XGQUQRHBQLHCDF-CHWSQXEVSA-N	2	0	314.430	-1.127	20	0		DAADRP
CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1	ZINC001418311745	926380928	/nfs/dbraw/zinc/38/09/28/926380928.db2.gz	AQUCVEQPIRHBGZ-VXGBXAGGSA-N	2	0	300.403	-1.205	20	0		DAADRP
CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1	ZINC001418311740	926381532	/nfs/dbraw/zinc/38/15/32/926381532.db2.gz	AQUCVEQPIRHBGZ-RYUDHWBXSA-N	2	0	300.403	-1.205	20	0		DAADRP
C[NH+](C)CCn1cc(C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)cn1	ZINC001418357457	926384998	/nfs/dbraw/zinc/38/49/98/926384998.db2.gz	UPRZLUGQOJKAOF-LBPRGKRZSA-N	2	0	322.413	-1.018	20	0		DAADRP
CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(=O)NC)[NH+](C)C	ZINC001419775365	926500007	/nfs/dbraw/zinc/50/00/07/926500007.db2.gz	PFTQOOOMTVEUMM-VHSXEESVSA-N	2	0	301.391	-1.124	20	0		DAADRP
C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCN(C)S(C)(=O)=O	ZINC001419927699	926509363	/nfs/dbraw/zinc/50/93/63/926509363.db2.gz	SIXDMHJIMXHPGV-VXGBXAGGSA-N	2	0	320.459	-1.076	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001420020321	926517474	/nfs/dbraw/zinc/51/74/74/926517474.db2.gz	UUSHARVBASARRX-WDEREUQCSA-N	2	0	311.386	-1.429	20	0		DAADRP
CC(C)CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001420119194	926529185	/nfs/dbraw/zinc/52/91/85/926529185.db2.gz	ZWBKNLPFFBVGDM-STQMWFEESA-N	2	0	314.430	-1.081	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C	ZINC001420131996	926535804	/nfs/dbraw/zinc/53/58/04/926535804.db2.gz	WSGAHVOMZIERCW-OPRDCNLKSA-N	2	0	315.374	-2.412	20	0		DAADRP
CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C23CCC[NH+]2CCC3)C1=O	ZINC001420150658	926543863	/nfs/dbraw/zinc/54/38/63/926543863.db2.gz	GJMGXCXEZPUMBD-CHWSQXEVSA-N	2	0	324.425	-1.088	20	0		DAADRP
CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C23CCC[NH+]2CCC3)C1=O	ZINC001420150680	926544752	/nfs/dbraw/zinc/54/47/52/926544752.db2.gz	GJMGXCXEZPUMBD-QWHCGFSZSA-N	2	0	324.425	-1.088	20	0		DAADRP
COC[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001420157933	926546514	/nfs/dbraw/zinc/54/65/14/926546514.db2.gz	SAFVUXGQJJDBSF-IGQOVBAYSA-N	2	0	317.430	-1.209	20	0		DAADRP
CC(C)CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001420185756	926555794	/nfs/dbraw/zinc/55/57/94/926555794.db2.gz	ANKYOOOCQXRKDH-OLZOCXBDSA-N	2	0	314.430	-1.223	20	0		DAADRP
CC(C)CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001420185759	926556258	/nfs/dbraw/zinc/55/62/58/926556258.db2.gz	ANKYOOOCQXRKDH-QWHCGFSZSA-N	2	0	314.430	-1.223	20	0		DAADRP
CN(C(=O)C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)C1CC1	ZINC001420197537	926561179	/nfs/dbraw/zinc/56/11/79/926561179.db2.gz	OQOULCMJQUYRMM-ZDUSSCGKSA-N	2	0	324.425	-1.230	20	0		DAADRP
NC(=O)C[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](CC2CC2)CC1	ZINC001420200991	926563282	/nfs/dbraw/zinc/56/32/82/926563282.db2.gz	WDRKJZRGFVFKOH-ZDUSSCGKSA-N	2	0	312.414	-1.340	20	0		DAADRP
O=C(CC[NH+]1CCCCC1)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O	ZINC001420220852	926567880	/nfs/dbraw/zinc/56/78/80/926567880.db2.gz	YAFSYCZFMDXZGM-CHWSQXEVSA-N	2	0	312.414	-1.182	20	0		DAADRP
C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001420420521	926588905	/nfs/dbraw/zinc/58/89/05/926588905.db2.gz	KFAHPEXXBYARJK-GXSJLCMTSA-N	2	0	311.386	-1.383	20	0		DAADRP
C[C@@H](C[NH2+]CC(N)=O)NC(=O)C(C)(C)C[NH+]1CCOCC1	ZINC001420435392	926591291	/nfs/dbraw/zinc/59/12/91/926591291.db2.gz	USMOTABOKBKXNK-NSHDSACASA-N	2	0	300.403	-1.076	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)CCC[NH+](C)C	ZINC001420459327	926594409	/nfs/dbraw/zinc/59/44/09/926594409.db2.gz	WBGUWHFYXRDJEP-JTQLQIEISA-N	2	0	301.391	-1.122	20	0		DAADRP
C[NH+](C)CCn1ccc(C(=O)NCC2([NH2+]CC(N)=O)CC2)n1	ZINC001420942422	926629208	/nfs/dbraw/zinc/62/92/08/926629208.db2.gz	SJERUJQPDIRKKP-UHFFFAOYSA-N	2	0	308.386	-1.218	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCn3cncn3)C2)C1	ZINC001421396462	926688373	/nfs/dbraw/zinc/68/83/73/926688373.db2.gz	ZLRTWSFQBCNAJR-ZFWWWQNUSA-N	2	0	322.413	-1.217	20	0		DAADRP
NC(=O)C[NH2+]C1CCN(CCNC(=O)C[NH+]2CCCC2)CC1	ZINC001421591639	926730881	/nfs/dbraw/zinc/73/08/81/926730881.db2.gz	KPSBWYKFICFTGV-UHFFFAOYSA-N	2	0	311.430	-1.262	20	0		DAADRP
CN1CC[C@H]([NH2+]CCN(CCO)C(=O)C[NH+]2CCCC2)C1=O	ZINC001421640525	926740586	/nfs/dbraw/zinc/74/05/86/926740586.db2.gz	CDSQXFVASVJTKH-ZDUSSCGKSA-N	2	0	312.414	-1.277	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1	ZINC001421801818	926757609	/nfs/dbraw/zinc/75/76/09/926757609.db2.gz	LDMCRCWMDLAFQX-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1	ZINC001421793735	926757782	/nfs/dbraw/zinc/75/77/82/926757782.db2.gz	PYFQTODTDZQVKN-UHFFFAOYSA-N	2	0	323.397	-1.094	20	0		DAADRP
C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC1	ZINC001422048482	926783203	/nfs/dbraw/zinc/78/32/03/926783203.db2.gz	LOHIIMGBYCCLNC-PHIMTYICSA-N	2	0	311.386	-2.285	20	0		DAADRP
C[NH+]1CCC(NC(=O)C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)CC1	ZINC001422048481	926784065	/nfs/dbraw/zinc/78/40/65/926784065.db2.gz	LOHIIMGBYCCLNC-GHMZBOCLSA-N	2	0	311.386	-2.285	20	0		DAADRP
O=C(NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)C12CCC[NH+]1CCC2	ZINC001422328874	926831936	/nfs/dbraw/zinc/83/19/36/926831936.db2.gz	NGTRBZGSOCHCIV-QWHCGFSZSA-N	2	0	324.425	-1.040	20	0		DAADRP
C[C@@H]([NH2+]C[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O	ZINC001422333057	926835059	/nfs/dbraw/zinc/83/50/59/926835059.db2.gz	AFEZEMPBAUXMTI-NEPJUHHUSA-N	2	0	312.414	-1.197	20	0		DAADRP
Cc1c(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)ccc2c[nH+]cn21	ZINC001422347028	926840036	/nfs/dbraw/zinc/84/00/36/926840036.db2.gz	KOLPJIDGQCLZGO-NSHDSACASA-N	2	0	305.338	-1.192	20	0		DAADRP
Cc1c(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)ccc2c[nH+]cn21	ZINC001422347024	926840364	/nfs/dbraw/zinc/84/03/64/926840364.db2.gz	KOLPJIDGQCLZGO-LLVKDONJSA-N	2	0	305.338	-1.192	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCC2)C1	ZINC001422408850	926866078	/nfs/dbraw/zinc/86/60/78/926866078.db2.gz	WDGAGIZKBFCVIY-QWHCGFSZSA-N	2	0	312.414	-1.373	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]C[C@H]1CCc2ncnn21	ZINC001422403322	926866120	/nfs/dbraw/zinc/86/61/20/926866120.db2.gz	LOEPUKKTPJBHGM-OLZOCXBDSA-N	2	0	322.413	-1.072	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21	ZINC001422403329	926866698	/nfs/dbraw/zinc/86/66/98/926866698.db2.gz	LOEPUKKTPJBHGM-STQMWFEESA-N	2	0	322.413	-1.072	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCC2)C1	ZINC001422408855	926866837	/nfs/dbraw/zinc/86/68/37/926866837.db2.gz	WDGAGIZKBFCVIY-STQMWFEESA-N	2	0	312.414	-1.373	20	0		DAADRP
CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(=O)NC)[NH+](C)C	ZINC001422412964	926869328	/nfs/dbraw/zinc/86/93/28/926869328.db2.gz	VZMPHBUWAYLAJV-ZJUUUORDSA-N	2	0	317.390	-2.151	20	0		DAADRP
C[C@@H](CN(C)Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001422936044	926931872	/nfs/dbraw/zinc/93/18/72/926931872.db2.gz	NSFREQDDMIAHCR-WDEREUQCSA-N	2	0	310.402	-1.003	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CCn2cncn2)CC[N@@H+]1C	ZINC001423212749	926973359	/nfs/dbraw/zinc/97/33/59/926973359.db2.gz	LOPHKKVSORQIHR-JHJVBQTASA-N	2	0	310.402	-1.315	20	0		DAADRP
CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001423221122	926978782	/nfs/dbraw/zinc/97/87/82/926978782.db2.gz	QWHLKHYDYRGNIT-JHJVBQTASA-N	2	0	314.430	-1.128	20	0		DAADRP
O=C(NC[C@@H](CO)[NH2+]CCn1cncn1)C12CCC[NH+]1CCC2	ZINC001423230054	926986109	/nfs/dbraw/zinc/98/61/09/926986109.db2.gz	NUEZWZVFGSCEKY-ZDUSSCGKSA-N	2	0	322.413	-1.027	20	0		DAADRP
CN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)C2CC[NH+](C)CC2)C1=O	ZINC001423260128	927003863	/nfs/dbraw/zinc/00/38/63/927003863.db2.gz	QTKNLLFMKNDGMB-QWHCGFSZSA-N	2	0	312.414	-1.374	20	0		DAADRP
CN1CC[C@H]([NH2+][C@H](CO)CNC(=O)CCC[NH+](C)C)C1=O	ZINC001423262099	927004545	/nfs/dbraw/zinc/00/45/45/927004545.db2.gz	ZXHJNGGQGOMDSD-RYUDHWBXSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@H](CO)[NH2+][C@H]1CCCNC1=O	ZINC001423282167	927013237	/nfs/dbraw/zinc/01/32/37/927013237.db2.gz	JTPFLOXHJOMFAB-NEPJUHHUSA-N	2	0	300.403	-1.327	20	0		DAADRP
CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(=O)NC)[NH+](C)C	ZINC001423297313	927017407	/nfs/dbraw/zinc/01/74/07/927017407.db2.gz	OXUNBHYTKOYVPU-VHSXEESVSA-N	2	0	317.390	-2.151	20	0		DAADRP
CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001423293939	927018788	/nfs/dbraw/zinc/01/87/88/927018788.db2.gz	JRPJKQSBTXLKNU-STQMWFEESA-N	2	0	324.425	-1.230	20	0		DAADRP
CCCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001423300023	927022547	/nfs/dbraw/zinc/02/25/47/927022547.db2.gz	HAYYVOPITZYHBH-VXGBXAGGSA-N	2	0	300.403	-1.469	20	0		DAADRP
CN1CC[C@H]([NH2+][C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001423301990	927023057	/nfs/dbraw/zinc/02/30/57/927023057.db2.gz	UVBWPCZMBHIWBA-RYUDHWBXSA-N	2	0	310.398	-1.620	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1	ZINC001423306301	927024534	/nfs/dbraw/zinc/02/45/34/927024534.db2.gz	PCYXTWLXPNWLPV-JTQLQIEISA-N	2	0	315.374	-2.396	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1	ZINC001423358038	927033880	/nfs/dbraw/zinc/03/38/80/927033880.db2.gz	QUAJPVGVXIXBEB-QWRGUYRKSA-N	2	0	313.402	-1.027	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001423445919	927055027	/nfs/dbraw/zinc/05/50/27/927055027.db2.gz	QAMXRGDBWCFVGO-IJLUTSLNSA-N	2	0	300.403	-1.519	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1	ZINC001423451632	927059792	/nfs/dbraw/zinc/05/97/92/927059792.db2.gz	IMGOLFQJKUTZIY-VXGBXAGGSA-N	2	0	314.430	-1.128	20	0		DAADRP
COC[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001423468508	927067185	/nfs/dbraw/zinc/06/71/85/927067185.db2.gz	KBILIVKRZFAQAA-KGLIPLIRSA-N	2	0	317.430	-1.256	20	0		DAADRP
COC[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2	ZINC001423481670	927068616	/nfs/dbraw/zinc/06/86/16/927068616.db2.gz	QFRJDNAMJLDZOX-STQMWFEESA-N	2	0	315.414	-1.502	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001423478858	927069927	/nfs/dbraw/zinc/06/99/27/927069927.db2.gz	LERRGNKZFMTDDS-CHWSQXEVSA-N	2	0	324.425	-1.278	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001423487767	927073810	/nfs/dbraw/zinc/07/38/10/927073810.db2.gz	UZNDJFHIVJWUSR-NWDGAFQWSA-N	2	0	300.403	-1.565	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCNC1=O	ZINC001423492680	927076379	/nfs/dbraw/zinc/07/63/79/927076379.db2.gz	IGILOQFQGDQZFS-VXGBXAGGSA-N	2	0	300.403	-1.376	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCNC1=O	ZINC001423492675	927078121	/nfs/dbraw/zinc/07/81/21/927078121.db2.gz	IGILOQFQGDQZFS-RYUDHWBXSA-N	2	0	300.403	-1.376	20	0		DAADRP
CNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)Cn1ccnc1C	ZINC001423547227	927094403	/nfs/dbraw/zinc/09/44/03/927094403.db2.gz	LDDSQQMIWHXZHB-GFCCVEGCSA-N	2	0	311.386	-1.311	20	0		DAADRP
CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]2CC[N@H+](C)C2)C1=O	ZINC001424049049	927188615	/nfs/dbraw/zinc/18/86/15/927188615.db2.gz	JNDQYBARKHXFLC-QWHCGFSZSA-N	2	0	312.414	-1.421	20	0		DAADRP
CN1CC[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@H+](C)C2)C1=O	ZINC001424049047	927188920	/nfs/dbraw/zinc/18/89/20/927188920.db2.gz	JNDQYBARKHXFLC-OLZOCXBDSA-N	2	0	312.414	-1.421	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)C[NH+]1CCCC1	ZINC001424055180	927191942	/nfs/dbraw/zinc/19/19/42/927191942.db2.gz	UPLIHPCIMQQXJU-GFCCVEGCSA-N	2	0	300.403	-1.373	20	0		DAADRP
CC[NH+](CC)C[C@@H](F)C(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1	ZINC001424222789	927208682	/nfs/dbraw/zinc/20/86/82/927208682.db2.gz	SYJVAOOVFFMDQR-VXGBXAGGSA-N	2	0	318.393	-1.031	20	0		DAADRP
C[C@H]([NH2+]CC1(O)CCN(C(=O)Cc2ncc[nH]2)CC1)C(N)=O	ZINC001424550996	927241749	/nfs/dbraw/zinc/24/17/49/927241749.db2.gz	PFMRNBMVPGLHGA-JTQLQIEISA-N	2	0	309.370	-1.231	20	0		DAADRP
C[C@@H]([NH2+]CC1(O)CCN(C(=O)Cc2ncc[nH]2)CC1)C(N)=O	ZINC001424550999	927242944	/nfs/dbraw/zinc/24/29/44/927242944.db2.gz	PFMRNBMVPGLHGA-SNVBAGLBSA-N	2	0	309.370	-1.231	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)C1	ZINC001425400796	927349295	/nfs/dbraw/zinc/34/92/95/927349295.db2.gz	YFIJVGZTLJVIGG-JHJVBQTASA-N	2	0	312.414	-1.110	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[NH+](C)C1	ZINC001425411492	927352918	/nfs/dbraw/zinc/35/29/18/927352918.db2.gz	MWLGLTKISSIKJZ-STQMWFEESA-N	2	0	314.430	-1.128	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[NH+](C)C1	ZINC001425411487	927353320	/nfs/dbraw/zinc/35/33/20/927353320.db2.gz	MWLGLTKISSIKJZ-OLZOCXBDSA-N	2	0	314.430	-1.128	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)C1CC[NH+](C)CC1	ZINC001425496521	927382356	/nfs/dbraw/zinc/38/23/56/927382356.db2.gz	TYHYRMOVNPYNMB-CYBMUJFWSA-N	2	0	314.430	-1.127	20	0		DAADRP
O=C(C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)NC1CC1	ZINC001425762419	927432216	/nfs/dbraw/zinc/43/22/16/927432216.db2.gz	WKZYNKICPFPTOI-KGLIPLIRSA-N	2	0	324.425	-1.327	20	0		DAADRP
O=C(NC[C@@H](CO)[NH2+][C@H]1CCNC1=O)C12CCC[NH+](CCC1)C2	ZINC001425764187	927433742	/nfs/dbraw/zinc/43/37/42/927433742.db2.gz	BIKATFUBJDUFGV-STQMWFEESA-N	2	0	324.425	-1.182	20	0		DAADRP
CNC(=O)C[NH2+][C@H](CO)CNC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001425766516	927434856	/nfs/dbraw/zinc/43/48/56/927434856.db2.gz	QQVLHLAILAVTQK-NWDGAFQWSA-N	2	0	300.403	-1.327	20	0		DAADRP
CC[C@H]([NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1)C(N)=O	ZINC001425809428	927458651	/nfs/dbraw/zinc/45/86/51/927458651.db2.gz	QURJATIIVSSWBF-NEPJUHHUSA-N	2	0	300.403	-1.341	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)C[NH+]1CCC(C)CC1	ZINC001425819467	927462974	/nfs/dbraw/zinc/46/29/74/927462974.db2.gz	HVUIOIDQGBSNCJ-OLZOCXBDSA-N	2	0	314.430	-1.081	20	0		DAADRP
C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O	ZINC001426001344	927499337	/nfs/dbraw/zinc/49/93/37/927499337.db2.gz	PZBXRTOGRRYAGC-RYUDHWBXSA-N	2	0	312.414	-1.103	20	0		DAADRP
C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O	ZINC001426001340	927499889	/nfs/dbraw/zinc/49/98/89/927499889.db2.gz	PZBXRTOGRRYAGC-NWDGAFQWSA-N	2	0	312.414	-1.103	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)CC[NH+](C)C	ZINC001426021919	927508483	/nfs/dbraw/zinc/50/84/83/927508483.db2.gz	FZQHLWYORYLDFE-NEPJUHHUSA-N	2	0	300.403	-1.374	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CC(=O)NC(N)=O)C(=O)CC[NH+](C)C	ZINC001426021734	927509833	/nfs/dbraw/zinc/50/98/33/927509833.db2.gz	FUBUXSGLXVBAJH-VIFPVBQESA-N	2	0	303.363	-2.458	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)CC[NH+](C)C	ZINC001426031616	927512563	/nfs/dbraw/zinc/51/25/63/927512563.db2.gz	SNEZPWODAQJVSW-ZDUSSCGKSA-N	2	0	314.430	-1.031	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)C[NH+]1CCCC1	ZINC001426053036	927517730	/nfs/dbraw/zinc/51/77/30/927517730.db2.gz	MSUOTEOHOGCNMZ-CHWSQXEVSA-N	2	0	312.414	-1.278	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)C[NH+]1CCCC1	ZINC001426053040	927518545	/nfs/dbraw/zinc/51/85/45/927518545.db2.gz	MSUOTEOHOGCNMZ-QWHCGFSZSA-N	2	0	312.414	-1.278	20	0		DAADRP
CN(C[C@H](O)C[N@H+](C)[C@H]1CCNC1=O)C(=O)CCC[NH+](C)C	ZINC001426087605	927526744	/nfs/dbraw/zinc/52/67/44/927526744.db2.gz	UZXMLGOBANQHTK-OLZOCXBDSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)C[NH+]2CCCC2)C1	ZINC001427835182	927687149	/nfs/dbraw/zinc/68/71/49/927687149.db2.gz	YOGFRPGSMDMIBV-CHWSQXEVSA-N	2	0	312.414	-1.373	20	0		DAADRP
C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1	ZINC001428920172	927826756	/nfs/dbraw/zinc/82/67/56/927826756.db2.gz	QTGALDITOCKCKU-XQQFMLRXSA-N	2	0	312.414	-1.422	20	0		DAADRP
C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1	ZINC001428920149	927827645	/nfs/dbraw/zinc/82/76/45/927827645.db2.gz	QTGALDITOCKCKU-UPJWGTAASA-N	2	0	312.414	-1.422	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001431534838	928051626	/nfs/dbraw/zinc/05/16/26/928051626.db2.gz	BBSKMLFURWSEBT-ZDUSSCGKSA-N	2	0	324.425	-1.229	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[NH+](C)C1	ZINC001431536990	928055397	/nfs/dbraw/zinc/05/53/97/928055397.db2.gz	DHLKVKVFVVUCFR-OLZOCXBDSA-N	2	0	314.430	-1.128	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CC(=O)NC(N)=O)C1	ZINC001437734159	928475317	/nfs/dbraw/zinc/47/53/17/928475317.db2.gz	BRPSBGOVYBEFMA-LLVKDONJSA-N	2	0	313.402	-1.040	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001438989951	928561050	/nfs/dbraw/zinc/56/10/50/928561050.db2.gz	JLCYYVBYHWNLDR-CHWSQXEVSA-N	2	0	312.414	-1.517	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1	ZINC001439009380	928571768	/nfs/dbraw/zinc/57/17/68/928571768.db2.gz	BJMGSLIYYDEITK-LLVKDONJSA-N	2	0	300.403	-1.327	20	0		DAADRP
C[NH+](C)C1(C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)CCC1	ZINC001439009420	928572369	/nfs/dbraw/zinc/57/23/69/928572369.db2.gz	ZARBHNNATVQZIH-SECBINFHSA-N	2	0	315.374	-2.268	20	0		DAADRP
CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O	ZINC001439008597	928572666	/nfs/dbraw/zinc/57/26/66/928572666.db2.gz	YSELWVQFKYJNIK-GHMZBOCLSA-N	2	0	300.403	-1.199	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCc2ncnn21	ZINC001439025133	928579816	/nfs/dbraw/zinc/57/98/16/928579816.db2.gz	KMPUUYCIXOVJEC-NEPJUHHUSA-N	2	0	310.402	-1.216	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21	ZINC001439025142	928579971	/nfs/dbraw/zinc/57/99/71/928579971.db2.gz	KMPUUYCIXOVJEC-RYUDHWBXSA-N	2	0	310.402	-1.216	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O	ZINC001439044296	928591734	/nfs/dbraw/zinc/59/17/34/928591734.db2.gz	MFFRSGOQQQPDQG-RYUDHWBXSA-N	2	0	300.403	-1.374	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O	ZINC001439044300	928591889	/nfs/dbraw/zinc/59/18/89/928591889.db2.gz	MFFRSGOQQQPDQG-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC2CC2)C1	ZINC001439050579	928593982	/nfs/dbraw/zinc/59/39/82/928593982.db2.gz	ZSSCNEXVMFMJCD-QWHCGFSZSA-N	2	0	312.414	-1.469	20	0		DAADRP
CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C)C(N)=O	ZINC001440207429	928706254	/nfs/dbraw/zinc/70/62/54/928706254.db2.gz	MYKJJVTUULJOSG-VXGBXAGGSA-N	2	0	300.403	-1.245	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)N(CCO)CC[NH2+][C@@H]2CCNC2=O)C1	ZINC001440206997	928706447	/nfs/dbraw/zinc/70/64/47/928706447.db2.gz	PTYCMVGJKSMIRH-CHWSQXEVSA-N	2	0	312.414	-1.373	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)N(CCO)CC[NH2+][C@@H]2CCNC2=O)C1	ZINC001440207000	928707449	/nfs/dbraw/zinc/70/74/49/928707449.db2.gz	PTYCMVGJKSMIRH-QWHCGFSZSA-N	2	0	312.414	-1.373	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001440367030	928716642	/nfs/dbraw/zinc/71/66/42/928716642.db2.gz	BYRDZICFCYDMQJ-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CC(=O)NC)C1	ZINC001440368945	928717160	/nfs/dbraw/zinc/71/71/60/928717160.db2.gz	IOQLGZMUVYCPME-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
CN(C)C(=O)C[NH2+][C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1	ZINC001440550851	928730383	/nfs/dbraw/zinc/73/03/83/928730383.db2.gz	QUFLTIRYRPOXAH-OAHLLOKOSA-N	2	0	314.430	-1.031	20	0		DAADRP
CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001440592862	928732363	/nfs/dbraw/zinc/73/23/63/928732363.db2.gz	AYKPLCVFEMONKD-WDEREUQCSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)NC(N)=O	ZINC001441657033	928804256	/nfs/dbraw/zinc/80/42/56/928804256.db2.gz	WKZIPERJDJCVLI-SNVBAGLBSA-N	2	0	311.386	-1.286	20	0		DAADRP
C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)NC(N)=O	ZINC001441657031	928804514	/nfs/dbraw/zinc/80/45/14/928804514.db2.gz	WKZIPERJDJCVLI-JTQLQIEISA-N	2	0	311.386	-1.286	20	0		DAADRP
CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C1CCC1	ZINC001441704528	928826315	/nfs/dbraw/zinc/82/63/15/928826315.db2.gz	CKNKXAAQANFWKL-NSHDSACASA-N	2	0	300.403	-1.374	20	0		DAADRP
C[C@H]([NH2+][C@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O	ZINC001441709827	928831830	/nfs/dbraw/zinc/83/18/30/928831830.db2.gz	HGPHPBYOWHXASH-RYUDHWBXSA-N	2	0	312.414	-1.197	20	0		DAADRP
C[C@H](O)C[NH2+][C@H](CO)CNC(=O)COC1CC[NH+](C)CC1	ZINC001441769157	928856876	/nfs/dbraw/zinc/85/68/76/928856876.db2.gz	QECHHTGDRGTNFR-RYUDHWBXSA-N	2	0	303.403	-1.455	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O	ZINC001441781947	928862817	/nfs/dbraw/zinc/86/28/17/928862817.db2.gz	QCHYZCDJAJJKRP-RYUDHWBXSA-N	2	0	300.403	-1.327	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@H]1CCCNC1=O	ZINC001441781941	928864096	/nfs/dbraw/zinc/86/40/96/928864096.db2.gz	QCHYZCDJAJJKRP-NEPJUHHUSA-N	2	0	300.403	-1.327	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCN2CCCC2=O)C1	ZINC001441795149	928867246	/nfs/dbraw/zinc/86/72/46/928867246.db2.gz	OBOGEWYVDFBLDN-STQMWFEESA-N	2	0	312.414	-1.373	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001441800077	928868546	/nfs/dbraw/zinc/86/85/46/928868546.db2.gz	ROCGOEUJSGNOFQ-ZJUUUORDSA-N	2	0	315.374	-2.540	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2	ZINC001441799415	928869559	/nfs/dbraw/zinc/86/95/59/928869559.db2.gz	YKJVSXXAIJWYLQ-SECBINFHSA-N	2	0	313.358	-2.656	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O	ZINC001441840253	928874300	/nfs/dbraw/zinc/87/43/00/928874300.db2.gz	ZRBIXYBCCOVPQM-SECBINFHSA-N	2	0	303.363	-2.412	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)CCC[NH+](C)C	ZINC001441940298	928884750	/nfs/dbraw/zinc/88/47/50/928884750.db2.gz	LYLCQJMGUVPYOW-SNVBAGLBSA-N	2	0	301.391	-1.122	20	0		DAADRP
CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)CC[N@@H+]1C	ZINC001441971479	928895146	/nfs/dbraw/zinc/89/51/46/928895146.db2.gz	IMOXWZLNUZHQMD-GRYCIOLGSA-N	2	0	300.403	-1.389	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001442002365	928906227	/nfs/dbraw/zinc/90/62/27/928906227.db2.gz	VSYLVJCXGLUHJU-ZDUSSCGKSA-N	2	0	314.430	-1.175	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001442026900	928910869	/nfs/dbraw/zinc/91/08/69/928910869.db2.gz	DJXGRGJHMVGCMS-UWVGGRQHSA-N	2	0	315.374	-2.458	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)C12CC[NH+](CC1)C2	ZINC001442046457	928916239	/nfs/dbraw/zinc/91/62/39/928916239.db2.gz	RVRSPMRLVYIYEV-CYBMUJFWSA-N	2	0	324.425	-1.230	20	0		DAADRP
C[C@@H]([NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O	ZINC001443097108	928992043	/nfs/dbraw/zinc/99/20/43/928992043.db2.gz	HBQNWVCOPVAFBS-MNOVXSKESA-N	2	0	313.402	-1.040	20	0		DAADRP
C[C@@H]([NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O	ZINC001443097106	928992162	/nfs/dbraw/zinc/99/21/62/928992162.db2.gz	HBQNWVCOPVAFBS-GHMZBOCLSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)NC(N)=O	ZINC001444391541	929119999	/nfs/dbraw/zinc/11/99/99/929119999.db2.gz	QYQVKIIJMKSKEV-GHMZBOCLSA-N	2	0	313.402	-1.135	20	0		DAADRP
CN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1	ZINC001445158629	929172282	/nfs/dbraw/zinc/17/22/82/929172282.db2.gz	OSYBEUYSAAYJNO-OLZOCXBDSA-N	2	0	312.414	-1.232	20	0		DAADRP
Cn1[nH]c(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)nc1=O	ZINC001445268726	929207643	/nfs/dbraw/zinc/20/76/43/929207643.db2.gz	KDZFIGKDWQRVND-VHSXEESVSA-N	2	0	312.374	-2.373	20	0		DAADRP
Cn1[nH]c(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)nc1=O	ZINC001445268732	929207993	/nfs/dbraw/zinc/20/79/93/929207993.db2.gz	KDZFIGKDWQRVND-ZJUUUORDSA-N	2	0	312.374	-2.373	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001445276448	929208848	/nfs/dbraw/zinc/20/88/48/929208848.db2.gz	MJADCNAVZCXCQA-QWHCGFSZSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[C@H]([NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O	ZINC001445278962	929213035	/nfs/dbraw/zinc/21/30/35/929213035.db2.gz	XNLXTUGETSJUSO-VHSXEESVSA-N	2	0	315.374	-2.268	20	0		DAADRP
NC(=O)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCOCC1	ZINC001446720875	929307031	/nfs/dbraw/zinc/30/70/31/929307031.db2.gz	APQOGQQUWXEKJW-UHFFFAOYSA-N	2	0	310.398	-1.178	20	0		DAADRP
CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)CCO2)C1=O	ZINC001447284345	929382138	/nfs/dbraw/zinc/38/21/38/929382138.db2.gz	BUHUYQMXFMTYQW-OLZOCXBDSA-N	2	0	312.414	-1.014	20	0		DAADRP
C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)C(=O)NC(N)=O	ZINC001448726926	929467375	/nfs/dbraw/zinc/46/73/75/929467375.db2.gz	ZKAYVNJNFJLBOO-VHSXEESVSA-N	2	0	301.391	-1.042	20	0		DAADRP
C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H](C)C(=O)NC(N)=O	ZINC001448726923	929467998	/nfs/dbraw/zinc/46/79/98/929467998.db2.gz	ZKAYVNJNFJLBOO-UWVGGRQHSA-N	2	0	301.391	-1.042	20	0		DAADRP
C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(=O)NC(N)=O	ZINC001448727324	929468493	/nfs/dbraw/zinc/46/84/93/929468493.db2.gz	OIYZAQYTDKFHBR-WDEREUQCSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[NH+](C)C1(C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCC2)CCC1	ZINC001448834670	929488532	/nfs/dbraw/zinc/48/85/32/929488532.db2.gz	DDDRSXGJSMBJIK-GFCCVEGCSA-N	2	0	312.414	-1.230	20	0		DAADRP
C[NH+](C)CC1(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCCNC2=O)CC1	ZINC001448899547	929511315	/nfs/dbraw/zinc/51/13/15/929511315.db2.gz	RIKUICAQZZAUTN-RYUDHWBXSA-N	2	0	312.414	-1.327	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@H](C)C(=O)NC(N)=O	ZINC001448953160	929525157	/nfs/dbraw/zinc/52/51/57/929525157.db2.gz	VFSDOTAGKHEXCW-ZJUUUORDSA-N	2	0	317.390	-2.023	20	0		DAADRP
CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)C1=O	ZINC001448956181	929525884	/nfs/dbraw/zinc/52/58/84/929525884.db2.gz	QEZDJBBZEFTXRV-STQMWFEESA-N	2	0	312.414	-1.230	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001449141848	929551610	/nfs/dbraw/zinc/55/16/10/929551610.db2.gz	AEERDURIMZCUII-WCQYABFASA-N	2	0	314.430	-1.128	20	0		DAADRP
CCC[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCNC1=O	ZINC001449166434	929558704	/nfs/dbraw/zinc/55/87/04/929558704.db2.gz	XACOCFJNGQWVDV-NEPJUHHUSA-N	2	0	300.403	-1.374	20	0		DAADRP
CCC[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCNC1=O	ZINC001449166436	929559357	/nfs/dbraw/zinc/55/93/57/929559357.db2.gz	XACOCFJNGQWVDV-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCC1	ZINC001449188477	929564170	/nfs/dbraw/zinc/56/41/70/929564170.db2.gz	MLMXOVJNVDUOES-ZDUSSCGKSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[NH+](C)CCOCC(=O)N1CC(NC(=O)C23CC[NH+](CC2)C3)C1	ZINC001530553491	929855470	/nfs/dbraw/zinc/85/54/70/929855470.db2.gz	UBCXMKMGEYXQJV-UHFFFAOYSA-N	2	0	324.425	-1.013	20	0		DAADRP
CN1CC[NH2+]C[C@@H]1C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC001548573928	930030847	/nfs/dbraw/zinc/03/08/47/930030847.db2.gz	RWVVIBNXANAEGX-CYBMUJFWSA-N	2	0	324.429	-1.941	20	0		DAADRP
CN1CC[NH2+]C[C@H]1C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC001548573929	930031031	/nfs/dbraw/zinc/03/10/31/930031031.db2.gz	RWVVIBNXANAEGX-ZDUSSCGKSA-N	2	0	324.429	-1.941	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CC1=O	ZINC001548567760	930031350	/nfs/dbraw/zinc/03/13/50/930031350.db2.gz	ATEDISJOSMQLQN-NWDGAFQWSA-N	2	0	310.398	-1.356	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CC1=O	ZINC001548567762	930031859	/nfs/dbraw/zinc/03/18/59/930031859.db2.gz	ATEDISJOSMQLQN-RYUDHWBXSA-N	2	0	310.398	-1.356	20	0		DAADRP
CN1CC[NH2+]C[C@@H]1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC001548553511	930032146	/nfs/dbraw/zinc/03/21/46/930032146.db2.gz	NGHCRROEUFQECS-CQSZACIVSA-N	2	0	323.441	-1.343	20	0		DAADRP
O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC001549046582	930046519	/nfs/dbraw/zinc/04/65/19/930046519.db2.gz	WFTDWUWCYLEWNL-KBPBESRZSA-N	2	0	323.441	-1.249	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC001549046024	930048572	/nfs/dbraw/zinc/04/85/72/930048572.db2.gz	ODSCXHDIAGNNHX-STQMWFEESA-N	2	0	309.414	-1.639	20	0		DAADRP
O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@H]1C[NH2+]CCOC1	ZINC001549741790	930058120	/nfs/dbraw/zinc/05/81/20/930058120.db2.gz	UIKQPTZSXKXKDI-YDHLFZDLSA-N	2	0	324.425	-1.015	20	0		DAADRP
Cn1cnc([C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)C[C@@H]2[NH3+])c1	ZINC001549733566	930059788	/nfs/dbraw/zinc/05/97/88/930059788.db2.gz	AXWFQHHTYQGSBI-FJJYHAOUSA-N	2	0	305.382	-1.091	20	0		DAADRP
CN1CC[C@H]([NH+]2CCC(NC(=O)CN3CC[NH2+]CC3)CC2)C1=O	ZINC001550092809	930060405	/nfs/dbraw/zinc/06/04/05/930060405.db2.gz	NBVHTRHJRPTMCQ-AWEZNQCLSA-N	2	0	323.441	-1.297	20	0		DAADRP
COC[C@]1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH3+])C2)C[NH2+]CCO1	ZINC001550112865	930063325	/nfs/dbraw/zinc/06/33/25/930063325.db2.gz	LMXGSGFOPWSESQ-JMSVASOKSA-N	2	0	323.397	-1.322	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[C@H]3C[NH2+]C[C@@H]32)nn1	ZINC001552087868	930068639	/nfs/dbraw/zinc/06/86/39/930068639.db2.gz	OWAOTMJRDJHNBZ-UZGDPCLZSA-N	2	0	320.397	-1.200	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCC[C@H]2C[NH3+])nn1	ZINC001552161493	930068875	/nfs/dbraw/zinc/06/88/75/930068875.db2.gz	PFNGEQKZIDQZEJ-GMXVVIOVSA-N	2	0	308.386	-1.070	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)nn1	ZINC001552089629	930069170	/nfs/dbraw/zinc/06/91/70/930069170.db2.gz	HTSFOEOOIOWGHK-PRULPYPASA-N	2	0	308.386	-1.215	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)nn1	ZINC001552159257	930069188	/nfs/dbraw/zinc/06/91/88/930069188.db2.gz	VSLIVFMGEPZJAZ-HKUMRIAESA-N	2	0	320.397	-1.342	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)nn1	ZINC001552159261	930069250	/nfs/dbraw/zinc/06/92/50/930069250.db2.gz	VSLIVFMGEPZJAZ-KZVDOYCCSA-N	2	0	320.397	-1.342	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)nn1	ZINC001552088580	930069848	/nfs/dbraw/zinc/06/98/48/930069848.db2.gz	UZMXHFNRGULIJW-SBFPOUOMSA-N	2	0	308.386	-1.072	20	0		DAADRP
[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1	ZINC001552195254	930070953	/nfs/dbraw/zinc/07/09/53/930070953.db2.gz	WSVJEQJFZKDQSX-JMSVASOKSA-N	2	0	310.398	-1.464	20	0		DAADRP
[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1	ZINC001552195255	930071207	/nfs/dbraw/zinc/07/12/07/930071207.db2.gz	WSVJEQJFZKDQSX-LALPHHSUSA-N	2	0	310.398	-1.464	20	0		DAADRP
[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1	ZINC001552195256	930071688	/nfs/dbraw/zinc/07/16/88/930071688.db2.gz	WSVJEQJFZKDQSX-TYNCELHUSA-N	2	0	310.398	-1.464	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N(C)C2CC([NH3+])C2)nn1	ZINC001552163695	930071700	/nfs/dbraw/zinc/07/17/00/930071700.db2.gz	IXQAEMILBYNHDE-TWHWIZHFSA-N	2	0	308.386	-1.072	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)nn1	ZINC001552256574	930072192	/nfs/dbraw/zinc/07/21/92/930072192.db2.gz	GYSVHYVCENQZCU-MEWQQHAOSA-N	2	0	308.386	-1.072	20	0		DAADRP
[NH3+][C@@H]1C[C@H]2CN(C(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)CCN2C1=O	ZINC001552376088	930072222	/nfs/dbraw/zinc/07/22/22/930072222.db2.gz	OPYCCNBUWWPDOF-JFGNBEQYSA-N	2	0	318.381	-1.129	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@@H]([NH3+])C[C@H]2C)nn1	ZINC001552256573	930072307	/nfs/dbraw/zinc/07/23/07/930072307.db2.gz	GYSVHYVCENQZCU-LSCVPOLPSA-N	2	0	308.386	-1.072	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@H]([NH3+])C[C@H]2C)nn1	ZINC001552256575	930072524	/nfs/dbraw/zinc/07/25/24/930072524.db2.gz	GYSVHYVCENQZCU-PRULPYPASA-N	2	0	308.386	-1.072	20	0		DAADRP
Cc1c(C(=O)N2CCN(C)C[C@H]2C[NH3+])nnn1[C@@H]1CC[NH2+]C1	ZINC001552420697	930072620	/nfs/dbraw/zinc/07/26/20/930072620.db2.gz	ZBQPAJWNHGJRJR-VXGBXAGGSA-N	2	0	307.402	-1.164	20	0		DAADRP
CN(CCN1CC[NH2+]CC1)C(=O)[C@@]12C[NH2+]C[C@H]1CN(C)CC2	ZINC001553354133	930074070	/nfs/dbraw/zinc/07/40/70/930074070.db2.gz	QPPJEARNQXLNAN-HOCLYGCPSA-N	2	0	309.458	-1.109	20	0		DAADRP
[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2COCC3)C1	ZINC001553360228	930074462	/nfs/dbraw/zinc/07/44/62/930074462.db2.gz	VUWJMEJXRXKRDV-WWGRRREGSA-N	2	0	324.425	-1.074	20	0		DAADRP
[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COCC3)C1	ZINC001553360219	930074667	/nfs/dbraw/zinc/07/46/67/930074667.db2.gz	VUWJMEJXRXKRDV-IOASZLSFSA-N	2	0	324.425	-1.074	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C	ZINC000419358944	545766001	/nfs/dbraw/zinc/76/60/01/545766001.db2.gz	QCGZUINDYYYGIS-RYUDHWBXSA-N	2	0	300.403	-1.110	20	0		DAADRP
COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C	ZINC000419454722	545767711	/nfs/dbraw/zinc/76/77/11/545767711.db2.gz	UXCAVQKCSAZAKD-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C	ZINC000419668390	545769272	/nfs/dbraw/zinc/76/92/72/545769272.db2.gz	ACIHXUXFPAUAJN-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
COC(=O)CCN1CCN(C(=O)[C@@H]([NH3+])CC(=O)OC)C[C@H]1C	ZINC000423898695	545776343	/nfs/dbraw/zinc/77/63/43/545776343.db2.gz	PZLYKZRYUYDDPI-MNOVXSKESA-N	2	0	315.370	-1.027	20	0		DAADRP
CN(C(=O)C(=O)N1CCN(C2CCC2)CC1)[C@H]1C[NH2+]C[C@@H]1O	ZINC000643591861	372770024	/nfs/dbraw/zinc/77/00/24/372770024.db2.gz	YZUSQMDJJAUJLY-STQMWFEESA-N	2	0	310.398	-1.526	20	0		DAADRP
C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@H+](C)C1CC1	ZINC000642773397	372799171	/nfs/dbraw/zinc/79/91/71/372799171.db2.gz	WDTWLYQVFHRAMG-AAEUAGOBSA-N	2	0	311.430	-1.313	20	0		DAADRP
CN(CC(=O)N1CCN(C)CC1)[C@H]1CCN(S(C)(=O)=O)C1	ZINC000562362772	372879715	/nfs/dbraw/zinc/87/97/15/372879715.db2.gz	QTFDCESCQKLRAV-LBPRGKRZSA-N	2	0	318.443	-1.274	20	0		DAADRP
CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)[C@H](C[NH3+])C1	ZINC000583434835	372867318	/nfs/dbraw/zinc/86/73/18/372867318.db2.gz	FSPMACRUXZSQOI-CZUORRHYSA-N	2	0	323.441	-1.358	20	0		DAADRP
C[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C1CC1	ZINC000569624910	372871394	/nfs/dbraw/zinc/87/13/94/372871394.db2.gz	AEBNBQPLBGUXSC-VXGBXAGGSA-N	2	0	323.397	-2.033	20	0		DAADRP
CC[NH+](CC)CCN(CCOC)C(=O)C(=O)NC1C[NH2+]C1	ZINC000570148238	372909480	/nfs/dbraw/zinc/90/94/80/372909480.db2.gz	UPDNOJHYGAAGHO-UHFFFAOYSA-N	2	0	300.403	-1.109	20	0		DAADRP
[NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]CCC3(F)F)CCN2C1=O	ZINC000565249784	372917338	/nfs/dbraw/zinc/91/73/38/372917338.db2.gz	IHKTZFYXUHBYKV-OPRDCNLKSA-N	2	0	317.340	-1.063	20	0		DAADRP
Cc1nnc(CN(C)CC(=O)N2CCN(C)C[C@H]2C[NH3+])n1C	ZINC000574915680	372919819	/nfs/dbraw/zinc/91/98/19/372919819.db2.gz	UCLBLWBOCWGKEP-GFCCVEGCSA-N	2	0	309.418	-1.343	20	0		DAADRP
CC(C)(C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)N1CC[NH2+]CC1	ZINC000594873828	372995442	/nfs/dbraw/zinc/99/54/42/372995442.db2.gz	LHWORBACJDUDNQ-NWDGAFQWSA-N	2	0	309.414	-1.559	20	0		DAADRP
CC(C)(C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)N1CC[NH2+]CC1	ZINC000594873830	372995837	/nfs/dbraw/zinc/99/58/37/372995837.db2.gz	LHWORBACJDUDNQ-VXGBXAGGSA-N	2	0	309.414	-1.559	20	0		DAADRP
CC(C)(C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)N1CC[NH2+]CC1	ZINC000594873690	372995965	/nfs/dbraw/zinc/99/59/65/372995965.db2.gz	LHWORBACJDUDNQ-NEPJUHHUSA-N	2	0	309.414	-1.559	20	0		DAADRP
COC[C@]1(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCCC[NH2+]1	ZINC000602528638	373064363	/nfs/dbraw/zinc/06/43/63/373064363.db2.gz	SEVFLMYRLAJAFU-XUJVJEKNSA-N	2	0	310.398	-1.085	20	0		DAADRP
COCC1(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]CC1	ZINC000571520887	373155446	/nfs/dbraw/zinc/15/54/46/373155446.db2.gz	LQZMMCRTKJRLHW-LBPRGKRZSA-N	2	0	312.414	-1.013	20	0		DAADRP
CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C	ZINC000339580079	373128328	/nfs/dbraw/zinc/12/83/28/373128328.db2.gz	DQVRWOOCTCPBFQ-ZDUSSCGKSA-N	2	0	313.446	-1.194	20	0		DAADRP
COC(=O)C[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000563619771	373139796	/nfs/dbraw/zinc/13/97/96/373139796.db2.gz	HDRWHEHNSNUMNK-MNOVXSKESA-N	2	0	314.386	-1.420	20	0		DAADRP
O=C(CN1CC[NH2+]CC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000638219531	373210218	/nfs/dbraw/zinc/21/02/18/373210218.db2.gz	KTYNFEXCVVMUQB-LLVKDONJSA-N	2	0	323.363	-1.156	20	0		DAADRP
[NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CN1CC[NH2+]CC1	ZINC000638209104	373211778	/nfs/dbraw/zinc/21/17/78/373211778.db2.gz	IPQLMHDHYNEWQR-ZDUSSCGKSA-N	2	0	311.430	-1.262	20	0		DAADRP
O=C([C@H]1C[NH2+]CCO1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000638476447	373221045	/nfs/dbraw/zinc/22/10/45/373221045.db2.gz	HYIUMZCKJQVATE-GFCCVEGCSA-N	2	0	311.386	-1.856	20	0		DAADRP
O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000638480627	373221250	/nfs/dbraw/zinc/22/12/50/373221250.db2.gz	WXMIABAAGLGDRJ-ITGUQSILSA-N	2	0	307.398	-1.379	20	0		DAADRP
O=C(CN1CC[NH2+]CC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000637814159	373183464	/nfs/dbraw/zinc/18/34/64/373183464.db2.gz	HUBDWRNDBVGCLW-AWEZNQCLSA-N	2	0	323.441	-1.438	20	0		DAADRP
[NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000637813066	373183624	/nfs/dbraw/zinc/18/36/24/373183624.db2.gz	IYOUSIOOBOAGSZ-XQQFMLRXSA-N	2	0	310.398	-1.227	20	0		DAADRP
O[C@@H]1C[NH+](Cc2cccc(C[N@@H+]3C[C@@H](O)[C@@H](O)C3)c2)C[C@@H]1O	ZINC000278628838	373186984	/nfs/dbraw/zinc/18/69/84/373186984.db2.gz	GHISCPQVHGOBRV-GEEKYZPCSA-N	2	0	308.378	-1.239	20	0		DAADRP
O[C@@H]1C[NH+](Cc2ccccc2C[N@@H+]2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O	ZINC000278789393	373189194	/nfs/dbraw/zinc/18/91/94/373189194.db2.gz	OAKYOVSTIYZPRB-GEEKYZPCSA-N	2	0	308.378	-1.239	20	0		DAADRP
O[C@@H]1C[NH+](Cc2ccccc2C[NH+]2C[C@H](O)[C@@H](O)C2)C[C@H]1O	ZINC000278789402	373190439	/nfs/dbraw/zinc/19/04/39/373190439.db2.gz	OAKYOVSTIYZPRB-RUPPMWDTSA-N	2	0	308.378	-1.239	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000638676512	373235685	/nfs/dbraw/zinc/23/56/85/373235685.db2.gz	XJSHCSODYKMVNL-GFCCVEGCSA-N	2	0	300.403	-1.170	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)NCCOCCC[NH3+])CC1=O	ZINC000638660260	373235913	/nfs/dbraw/zinc/23/59/13/373235913.db2.gz	BXDIZXLTGKSYIX-GFCCVEGCSA-N	2	0	300.403	-1.122	20	0		DAADRP
CN(C)S(=O)(=O)CC(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000572041245	373329663	/nfs/dbraw/zinc/32/96/63/373329663.db2.gz	FPPJWWPIEVYODU-UHFFFAOYSA-N	2	0	308.448	-1.170	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)N1CCOCC1	ZINC000104102342	373312596	/nfs/dbraw/zinc/31/25/96/373312596.db2.gz	VPIKKURJBNTESZ-UHFFFAOYSA-N	2	0	308.448	-1.011	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C	ZINC000419352003	373319917	/nfs/dbraw/zinc/31/99/17/373319917.db2.gz	IGRLPCFVIDQCAN-VXGBXAGGSA-N	2	0	300.403	-1.124	20	0		DAADRP
CC1=CC[N@H+](CCNC(=O)C(=O)NCCN2CC[NH2+]CC2)CC1	ZINC000419219805	373320480	/nfs/dbraw/zinc/32/04/80/373320480.db2.gz	HXBSYQUWJQSXSC-UHFFFAOYSA-N	2	0	323.441	-1.224	20	0		DAADRP
C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC[N@H+](C)CCOC	ZINC000419365441	373320991	/nfs/dbraw/zinc/32/09/91/373320991.db2.gz	XKSBLMQYJGEOPS-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000419548443	373321140	/nfs/dbraw/zinc/32/11/40/373321140.db2.gz	SYKXFBPYMRRUMQ-MJBXVCDLSA-N	2	0	324.425	-1.109	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1	ZINC000419767534	373323459	/nfs/dbraw/zinc/32/34/59/373323459.db2.gz	BVDWTBRNCDRENJ-UHFFFAOYSA-N	2	0	300.403	-1.109	20	0		DAADRP
CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1	ZINC000419756688	373323981	/nfs/dbraw/zinc/32/39/81/373323981.db2.gz	BFYZWUHOLJEHNZ-LBPRGKRZSA-N	2	0	300.403	-1.061	20	0		DAADRP
CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000419873350	373324173	/nfs/dbraw/zinc/32/41/73/373324173.db2.gz	RURNCTHZMREYFD-UHFFFAOYSA-N	2	0	313.446	-1.194	20	0		DAADRP
[NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000419695163	373324201	/nfs/dbraw/zinc/32/42/01/373324201.db2.gz	MFZUTTHBIWRBDL-LBPRGKRZSA-N	2	0	312.414	-1.101	20	0		DAADRP
CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000419873931	373324332	/nfs/dbraw/zinc/32/43/32/373324332.db2.gz	SFKUEUXGSOFKFN-CYBMUJFWSA-N	2	0	311.430	-1.392	20	0		DAADRP
COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1	ZINC000420190474	373324564	/nfs/dbraw/zinc/32/45/64/373324564.db2.gz	VSBMDLZMRFNWCX-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
[NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000419695161	373324577	/nfs/dbraw/zinc/32/45/77/373324577.db2.gz	MFZUTTHBIWRBDL-GFCCVEGCSA-N	2	0	312.414	-1.101	20	0		DAADRP
CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+]	ZINC000572137518	373328481	/nfs/dbraw/zinc/32/84/81/373328481.db2.gz	ZAQTYECAGNWNIB-CHWSQXEVSA-N	2	0	313.446	-1.066	20	0		DAADRP
C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C1	ZINC000643513661	373374114	/nfs/dbraw/zinc/37/41/14/373374114.db2.gz	XGTPOEGZOVYZFR-AWEZNQCLSA-N	2	0	323.441	-1.343	20	0		DAADRP
CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1	ZINC000612544018	373359212	/nfs/dbraw/zinc/35/92/12/373359212.db2.gz	VFSWUKZZWSGQQT-HZSPNIEDSA-N	2	0	324.425	-1.136	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1	ZINC000643509835	373368543	/nfs/dbraw/zinc/36/85/43/373368543.db2.gz	YYOAWYHANKCIKB-ZDUSSCGKSA-N	3	0	313.446	-1.112	20	0		DAADRP
CCN(CC[NH3+])C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000629795325	373406033	/nfs/dbraw/zinc/40/60/33/373406033.db2.gz	JGQXPJLIGCNNBY-UHFFFAOYSA-N	3	0	301.435	-1.255	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1	ZINC000629796722	373407621	/nfs/dbraw/zinc/40/76/21/373407621.db2.gz	SAMXNIDLXJKFNO-GFCCVEGCSA-N	2	0	300.403	-1.027	20	0		DAADRP
C[NH2+]CCOCCN(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1	ZINC000629817544	373412965	/nfs/dbraw/zinc/41/29/65/373412965.db2.gz	PSDSLEBCAKIGFY-QWHCGFSZSA-N	2	0	312.414	-1.157	20	0		DAADRP
O=C(CNS(=O)(=O)CCC[NH+]1CCCC1)N1CC[NH2+]CC1	ZINC000631902400	373439289	/nfs/dbraw/zinc/43/92/89/373439289.db2.gz	YMLVJUZXAGNJJW-UHFFFAOYSA-N	2	0	318.443	-1.177	20	0		DAADRP
CC[NH2+]CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000627072402	373448123	/nfs/dbraw/zinc/44/81/23/373448123.db2.gz	XQMZELYREITNOM-UHFFFAOYSA-N	2	0	312.418	-1.052	20	0		DAADRP
C[NH2+]CCOCCNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1	ZINC000627171667	373457357	/nfs/dbraw/zinc/45/73/57/373457357.db2.gz	GITWHXJFDUVPFW-LBPRGKRZSA-N	2	0	315.418	-1.281	20	0		DAADRP
O=C(CN1CC[NH2+]CC1)NCc1cn(CC[NH+]2CCCC2)nn1	ZINC000630618598	373502786	/nfs/dbraw/zinc/50/27/86/373502786.db2.gz	ZMNFGFIXXJJINB-UHFFFAOYSA-N	2	0	321.429	-1.105	20	0		DAADRP
C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)[C@H](C)[NH+](C)C)[NH+](C)C	ZINC000615214794	373509308	/nfs/dbraw/zinc/50/93/08/373509308.db2.gz	GGASERWPACUWGT-SDDRHHMPSA-N	2	0	302.419	-1.178	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)CC1=O	ZINC000152722838	373514165	/nfs/dbraw/zinc/51/41/65/373514165.db2.gz	GVOISBDZHXEOEK-DOMZBBRYSA-N	2	0	314.430	-1.175	20	0		DAADRP
[NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@H]3C[NH2+]CCC3(F)F)CCN2C1=O	ZINC000565249781	373520289	/nfs/dbraw/zinc/52/02/89/373520289.db2.gz	IHKTZFYXUHBYKV-AEJSXWLSSA-N	2	0	317.340	-1.063	20	0		DAADRP
C[C@@H](NC(=O)CNC(=O)C[NH3+])C(=O)NCC[NH+]1CCCCC1	ZINC000566736818	373529697	/nfs/dbraw/zinc/52/96/97/373529697.db2.gz	NWRMMWVXMDGCIC-LLVKDONJSA-N	2	0	313.402	-1.832	20	0		DAADRP
C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)C[C@H]1C	ZINC000579091452	373587255	/nfs/dbraw/zinc/58/72/55/373587255.db2.gz	VQCOYLIIHAFZDI-RDBSUJKOSA-N	2	0	313.446	-1.014	20	0		DAADRP
CN(CC(=O)N1CC[NH2+]CC1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1	ZINC000567584319	373537059	/nfs/dbraw/zinc/53/70/59/373537059.db2.gz	LZRMWQJDIOXVGV-LLVKDONJSA-N	2	0	311.386	-2.255	20	0		DAADRP
C[NH+](C)CCCN1C(=O)C[C@@H]([NH2+]CCN2CCOCC2)C1=O	ZINC000567910961	373538911	/nfs/dbraw/zinc/53/89/11/373538911.db2.gz	JWVSIZSNCKJVTA-CYBMUJFWSA-N	2	0	312.414	-1.013	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1=O	ZINC000567982293	373539716	/nfs/dbraw/zinc/53/97/16/373539716.db2.gz	UKMVEHSCFGKVBR-OLZOCXBDSA-N	2	0	312.414	-1.109	20	0		DAADRP
CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[N@@H+]1CCCOCC1	ZINC000567911489	373540622	/nfs/dbraw/zinc/54/06/22/373540622.db2.gz	XVECNAJPCDPZCP-ZDUSSCGKSA-N	2	0	300.403	-1.076	20	0		DAADRP
O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC(=O)N1CC[NH2+]CC1	ZINC000573919195	373555900	/nfs/dbraw/zinc/55/59/00/373555900.db2.gz	CKZRSCVWTKBQJP-NSHDSACASA-N	2	0	311.386	-2.207	20	0		DAADRP
CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC000574278914	373559105	/nfs/dbraw/zinc/55/91/05/373559105.db2.gz	LZCNMSSWBFDKJV-OCCSQVGLSA-N	2	0	311.430	-1.408	20	0		DAADRP
COCC[N@H+](C)C[C@H](O)CN1CCC[C@H]1CS(N)(=O)=O	ZINC000575812436	373567874	/nfs/dbraw/zinc/56/78/74/373567874.db2.gz	LXMDBYCRSPTYIO-RYUDHWBXSA-N	2	0	309.432	-1.322	20	0		DAADRP
CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC000627294545	373632316	/nfs/dbraw/zinc/63/23/16/373632316.db2.gz	DAEYSKSNZSXZHT-NWDGAFQWSA-N	2	0	300.403	-1.063	20	0		DAADRP
C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[NH2+]1	ZINC000627312774	373642743	/nfs/dbraw/zinc/64/27/43/373642743.db2.gz	IKGSIHSUSHYUMT-FRRDWIJNSA-N	2	0	311.430	-1.395	20	0		DAADRP
C[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1	ZINC000627331835	373648218	/nfs/dbraw/zinc/64/82/18/373648218.db2.gz	JMADSAGUKFEWBC-CYBMUJFWSA-N	2	0	312.414	-1.061	20	0		DAADRP
CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC000627346552	373653792	/nfs/dbraw/zinc/65/37/92/373653792.db2.gz	VWOXPHFABGMZRN-GFCCVEGCSA-N	2	0	300.403	-1.061	20	0		DAADRP
O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCN([C@H]2CC[NH2+]C2)CC1	ZINC000580891254	373597903	/nfs/dbraw/zinc/59/79/03/373597903.db2.gz	IRKGOIAVIBRRII-QWHCGFSZSA-N	2	0	309.414	-1.639	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1	ZINC000581665817	373601610	/nfs/dbraw/zinc/60/16/10/373601610.db2.gz	INNAUWXXBBRAAB-GFCCVEGCSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC000627349669	373656095	/nfs/dbraw/zinc/65/60/95/373656095.db2.gz	VVLVGOCLHQWPQO-MDZLAQPJSA-N	2	0	310.398	-1.310	20	0		DAADRP
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1nc(N)[nH+]c(N)n1	ZINC000623927411	373661572	/nfs/dbraw/zinc/66/15/72/373661572.db2.gz	GWRLYBCOVQXSHU-SECBINFHSA-N	2	0	308.390	-1.527	20	0		DAADRP
CC[NH+](CC)CC(=O)N1CCN(c2nc(N)[nH+]c(N)n2)CC1	ZINC000623938406	373662289	/nfs/dbraw/zinc/66/22/89/373662289.db2.gz	OZWXKFFBWLFOFM-UHFFFAOYSA-N	2	0	308.390	-1.313	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nc(N)[nH+]c(N)n2)CC1	ZINC000624042293	373664507	/nfs/dbraw/zinc/66/45/07/373664507.db2.gz	YHRTYPUZVSGDRY-VIFPVBQESA-N	2	0	306.374	-1.560	20	0		DAADRP
C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1	ZINC000627357848	373670873	/nfs/dbraw/zinc/67/08/73/373670873.db2.gz	SFLKSILMRYXMJG-QWHCGFSZSA-N	2	0	312.414	-1.061	20	0		DAADRP
CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC000627365689	373671244	/nfs/dbraw/zinc/67/12/44/373671244.db2.gz	WTMWLVDOORPLJW-NWDGAFQWSA-N	2	0	300.403	-1.063	20	0		DAADRP
C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1	ZINC000627357846	373671802	/nfs/dbraw/zinc/67/18/02/373671802.db2.gz	SFLKSILMRYXMJG-CHWSQXEVSA-N	2	0	312.414	-1.061	20	0		DAADRP
CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCOCC[NH2+]C)C1	ZINC000627428600	373676072	/nfs/dbraw/zinc/67/60/72/373676072.db2.gz	JLZSZCWVZPINGD-GFCCVEGCSA-N	2	0	300.403	-1.061	20	0		DAADRP
O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000627446533	373677935	/nfs/dbraw/zinc/67/79/35/373677935.db2.gz	OUYCGNVUHKYTKH-YNEHKIRRSA-N	2	0	322.409	-1.335	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21	ZINC000627464023	373679910	/nfs/dbraw/zinc/67/99/10/373679910.db2.gz	PDKMLFPQNIZJHE-OLZOCXBDSA-N	2	0	312.414	-1.109	20	0		DAADRP
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC000627470476	373681779	/nfs/dbraw/zinc/68/17/79/373681779.db2.gz	STSVUYKEGFHSFI-STQMWFEESA-N	2	0	312.414	-1.109	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)[C@@H]2C1	ZINC000627470061	373682432	/nfs/dbraw/zinc/68/24/32/373682432.db2.gz	KYMLUUHALDPQLJ-FRRDWIJNSA-N	2	0	310.398	-1.356	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)[C@@H]2C1	ZINC000627470062	373682831	/nfs/dbraw/zinc/68/28/31/373682831.db2.gz	KYMLUUHALDPQLJ-JHJVBQTASA-N	2	0	310.398	-1.356	20	0		DAADRP
CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1	ZINC000627473376	373682921	/nfs/dbraw/zinc/68/29/21/373682921.db2.gz	MHOKKXJJHSWCPJ-OLZOCXBDSA-N	2	0	312.414	-1.109	20	0		DAADRP
CN(CCN1CC[NH2+]CC1)S(=O)(=O)N(C)C1CC[NH2+]CC1	ZINC000631903187	373699228	/nfs/dbraw/zinc/69/92/28/373699228.db2.gz	AYLBLWYQFYCCDO-UHFFFAOYSA-N	2	0	319.475	-1.248	20	0		DAADRP
O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC000631938179	373702928	/nfs/dbraw/zinc/70/29/28/373702928.db2.gz	WZMGKGLLZBJTBT-CHWSQXEVSA-N	2	0	318.443	-1.716	20	0		DAADRP
C[NH+]1CCN(CCCS(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1	ZINC000631968420	373704111	/nfs/dbraw/zinc/70/41/11/373704111.db2.gz	FIUKICIHMWWSJO-STQMWFEESA-N	2	0	302.444	-1.000	20	0		DAADRP
O=C([C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)C1)N1CC[NH2+]CC1	ZINC000444161375	545782108	/nfs/dbraw/zinc/78/21/08/545782108.db2.gz	OEPRKPKBWQOPAT-CHWSQXEVSA-N	2	0	310.398	-1.355	20	0		DAADRP
CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000649365964	545803137	/nfs/dbraw/zinc/80/31/37/545803137.db2.gz	AAFGZQQLFFMEHU-QWHCGFSZSA-N	2	0	311.430	-1.584	20	0		DAADRP
O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000627398462	545830987	/nfs/dbraw/zinc/83/09/87/545830987.db2.gz	NJMQYRYXVQRCTF-AGIUHOORSA-N	2	0	310.398	-1.166	20	0		DAADRP
C[NH+](C)CCOCC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCNC2=O)C1	ZINC001193488963	782006216	/nfs/dbraw/zinc/00/62/16/782006216.db2.gz	QRXHCUDEIJXWRX-OLZOCXBDSA-N	2	0	312.414	-1.014	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCS(=O)(=O)N1	ZINC000651263710	409364028	/nfs/dbraw/zinc/36/40/28/409364028.db2.gz	BBNNYJAINUYJSE-LLVKDONJSA-N	2	0	306.432	-1.370	20	0		DAADRP
COCC[N@H+](C)CCN1C[C@H](NC(=O)C[NH+](C)C)CC1=O	ZINC000348837062	409401640	/nfs/dbraw/zinc/40/16/40/409401640.db2.gz	GGDFGTMEVCDFAT-GFCCVEGCSA-N	2	0	300.403	-1.157	20	0		DAADRP
CCO[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C[C@H]1C[NH3+]	ZINC000652736257	409406541	/nfs/dbraw/zinc/40/65/41/409406541.db2.gz	BSKMSRSCBKDDOR-REWJHTLYSA-N	2	0	324.425	-1.029	20	0		DAADRP
C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1	ZINC000332591655	409462215	/nfs/dbraw/zinc/46/22/15/409462215.db2.gz	GFPLJESYNFIUMI-FRRDWIJNSA-N	2	0	310.398	-1.132	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)N2CC(N3CC[C@@H](O)C3)C2)CC1=O	ZINC000652889289	409472264	/nfs/dbraw/zinc/47/22/64/409472264.db2.gz	NQINLJVPSQAVQG-TZMCWYRMSA-N	2	0	324.425	-1.326	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)N2CC(N3CC[C@@H](O)C3)C2)CC1=O	ZINC000652889288	409471044	/nfs/dbraw/zinc/47/10/44/409471044.db2.gz	NQINLJVPSQAVQG-GXTWGEPZSA-N	2	0	324.425	-1.326	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1	ZINC000355151327	409483666	/nfs/dbraw/zinc/48/36/66/409483666.db2.gz	SUXKXFXOIIZJLO-JSGCOSHPSA-N	2	0	323.441	-1.299	20	0		DAADRP
COCC[NH2+]CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000430897748	409567301	/nfs/dbraw/zinc/56/73/01/409567301.db2.gz	QPTQPXPQXDLKOH-LBPRGKRZSA-N	2	0	300.403	-1.074	20	0		DAADRP
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@]1(O)CC[N@H+](C)C1	ZINC000358724277	409499561	/nfs/dbraw/zinc/49/95/61/409499561.db2.gz	QRMHSXYDCCBNTD-DZGCQCFKSA-N	2	0	313.446	-1.012	20	0		DAADRP
COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1	ZINC000659706607	409522853	/nfs/dbraw/zinc/52/28/53/409522853.db2.gz	NRPKEQGQOQXBFB-MQYJIDSJSA-N	2	0	310.398	-1.227	20	0		DAADRP
CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH2+]CCOC	ZINC000420188269	409539192	/nfs/dbraw/zinc/53/91/92/409539192.db2.gz	SSAGWSINUAFONY-GFCCVEGCSA-N	2	0	300.403	-1.061	20	0		DAADRP
COCC[NH2+]CC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000514937153	409550410	/nfs/dbraw/zinc/55/04/10/409550410.db2.gz	JNBJROGTUOESAU-ZDUSSCGKSA-N	2	0	312.414	-1.107	20	0		DAADRP
CN(CC1(C[N@H+](C)[C@@H]2COC[C@H]2O)COC1)[C@@H]1COC[C@H]1O	ZINC000512183244	409625421	/nfs/dbraw/zinc/62/54/21/409625421.db2.gz	GFAROQROOKXRMR-AAVRWANBSA-N	2	0	316.398	-1.614	20	0		DAADRP
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+]C(CO)CO)C1	ZINC000516934994	409628773	/nfs/dbraw/zinc/62/87/73/409628773.db2.gz	GNJLTXOHVFAODK-ZDUSSCGKSA-N	2	0	303.403	-1.598	20	0		DAADRP
CN1CC[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)S1(=O)=O	ZINC000648770482	409640170	/nfs/dbraw/zinc/64/01/70/409640170.db2.gz	IOTISRGBFNWTGY-LBPRGKRZSA-N	2	0	320.459	-1.028	20	0		DAADRP
CC(C)[NH+]1CCC(NC(=O)CN(CC[NH3+])C[C@H](O)CO)CC1	ZINC000662289293	409709023	/nfs/dbraw/zinc/70/90/23/409709023.db2.gz	ZBIVKAZVARNQCS-AWEZNQCLSA-N	2	0	316.446	-1.411	20	0		DAADRP
CC[N@H+](C)C[C@H](O)CN1CCCN(C(=O)CNC(C)=O)CC1	ZINC000528739065	409643966	/nfs/dbraw/zinc/64/39/66/409643966.db2.gz	RHKWNVWDELPYRU-AWEZNQCLSA-N	2	0	314.430	-1.031	20	0		DAADRP
O=C(N[C@@H]1CC[NH2+]C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000529388603	409646944	/nfs/dbraw/zinc/64/69/44/409646944.db2.gz	RHTZVIKRVCEVQT-GFCCVEGCSA-N	2	0	310.402	-1.299	20	0		DAADRP
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000649072685	409651008	/nfs/dbraw/zinc/65/10/08/409651008.db2.gz	HFNTURGGXOZWLU-KBPBESRZSA-N	2	0	323.441	-1.045	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)N2CCCO[C@H](C[NH3+])C2)CC1=O	ZINC000576282781	409656985	/nfs/dbraw/zinc/65/69/85/409656985.db2.gz	SSLRYZOSLIGTSG-CHWSQXEVSA-N	2	0	312.414	-1.027	20	0		DAADRP
CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)[C@@H](C[NH3+])C1	ZINC000576348634	409657943	/nfs/dbraw/zinc/65/79/43/409657943.db2.gz	DSFMAXKRQJPXBJ-STQMWFEESA-N	2	0	311.430	-1.502	20	0		DAADRP
COC(=O)CN(C)C(=O)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1	ZINC000576292251	409658791	/nfs/dbraw/zinc/65/87/91/409658791.db2.gz	ISBUXYXCNUBKEA-QWRGUYRKSA-N	2	0	312.370	-1.748	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)N2CCCO[C@H](C[NH3+])C2)CC1=O	ZINC000576282783	409658826	/nfs/dbraw/zinc/65/88/26/409658826.db2.gz	SSLRYZOSLIGTSG-QWHCGFSZSA-N	2	0	312.414	-1.027	20	0		DAADRP
COC(=O)CN(C)C(=O)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1	ZINC000576292249	409658846	/nfs/dbraw/zinc/65/88/46/409658846.db2.gz	ISBUXYXCNUBKEA-GHMZBOCLSA-N	2	0	312.370	-1.748	20	0		DAADRP
COCC[N@H+](C)C[C@H](O)CN1CC[NH+](C)C[C@@H](C(=O)OC)C1	ZINC000568998308	409659731	/nfs/dbraw/zinc/65/97/31/409659731.db2.gz	TYTKNJPQSYOEHY-KGLIPLIRSA-N	2	0	317.430	-1.038	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1	ZINC000654439872	409662727	/nfs/dbraw/zinc/66/27/27/409662727.db2.gz	YLNRNDIPWILDSP-MELADBBJSA-N	2	0	311.430	-1.307	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1	ZINC000654439871	409664063	/nfs/dbraw/zinc/66/40/63/409664063.db2.gz	YLNRNDIPWILDSP-BFHYXJOUSA-N	2	0	311.430	-1.307	20	0		DAADRP
[NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C2(O)C[NH2+]C2)c1	ZINC000662403417	409711499	/nfs/dbraw/zinc/71/14/99/409711499.db2.gz	VYPZFBQXVGQKPX-UHFFFAOYSA-N	2	0	314.367	-1.804	20	0		DAADRP
CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C	ZINC000659681894	409688207	/nfs/dbraw/zinc/68/82/07/409688207.db2.gz	DHRWARQBUFYXGD-QWHCGFSZSA-N	2	0	313.446	-1.162	20	0		DAADRP
C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC	ZINC000659700924	409688693	/nfs/dbraw/zinc/68/86/93/409688693.db2.gz	XBGABOBWUMABPD-NEPJUHHUSA-N	2	0	300.403	-1.063	20	0		DAADRP
C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCC[NH+]1CCOCC1	ZINC000659697889	409690534	/nfs/dbraw/zinc/69/05/34/409690534.db2.gz	GLWGKJMUXCKGBX-GFCCVEGCSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[NH2+]C[C@@H](C)NC(=O)[C@]1(CC(=O)N[C@@H](C)C[NH2+]C)CC[NH2+]C1	ZINC000662965231	409722595	/nfs/dbraw/zinc/72/25/95/409722595.db2.gz	INCLULCWYYXVAT-ZOWXZIJZSA-N	3	0	313.446	-1.196	20	0		DAADRP
O=C(NC[C@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1)[C@@H]1CCC[NH2+]1	ZINC000662760960	409718218	/nfs/dbraw/zinc/71/82/18/409718218.db2.gz	JMDBBWNCSHDNID-NEPJUHHUSA-N	2	0	310.398	-1.573	20	0		DAADRP
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H](N)CC[NH+](C)C	ZINC000662872863	409718644	/nfs/dbraw/zinc/71/86/44/409718644.db2.gz	DVCQWCPXHAWYDL-LBPRGKRZSA-N	2	0	301.435	-1.256	20	0		DAADRP
O=C(NC[C@@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1)[C@H]1CCC[NH2+]1	ZINC000662760961	409719058	/nfs/dbraw/zinc/71/90/58/409719058.db2.gz	JMDBBWNCSHDNID-NWDGAFQWSA-N	2	0	310.398	-1.573	20	0		DAADRP
C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000436634944	409796476	/nfs/dbraw/zinc/79/64/76/409796476.db2.gz	NRSLXYJIDWMKCG-NSHDSACASA-N	2	0	310.402	-0.551	20	0		DAADRP
COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1	ZINC001193821942	782019631	/nfs/dbraw/zinc/01/96/31/782019631.db2.gz	UCOGAIJTRUJWFX-MGPQQGTHSA-N	2	0	315.414	-1.361	20	0		DAADRP
CN1CCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)[C@H](C[NH3+])C1	ZINC000518514740	262658202	/nfs/dbraw/zinc/65/82/02/262658202.db2.gz	PUOKOBRTFUXBNG-QWHCGFSZSA-N	2	0	311.430	-1.360	20	0		DAADRP
CN(C)C(=O)CN1CCC(NC(=O)[C@H]2CN(C)CCO2)CC1	ZINC000408271993	263224869	/nfs/dbraw/zinc/22/48/69/263224869.db2.gz	VOUPGTHFOKHSLL-CYBMUJFWSA-N	2	0	312.414	-1.014	20	0		DAADRP
C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1	ZINC000420018349	263228668	/nfs/dbraw/zinc/22/86/68/263228668.db2.gz	XRBSBLDTJQHFRQ-GHMZBOCLSA-N	2	0	300.403	-1.247	20	0		DAADRP
COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1	ZINC000419448976	263231499	/nfs/dbraw/zinc/23/14/99/263231499.db2.gz	JOOPQKMDWDESGL-LBPRGKRZSA-N	2	0	300.403	-1.061	20	0		DAADRP
O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1C[NH2+]CCO1	ZINC000261866384	263231971	/nfs/dbraw/zinc/23/19/71/263231971.db2.gz	NRPUDDXJVUCJAG-NXEZZACHSA-N	2	0	310.320	-1.073	20	0		DAADRP
CN(C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1C[NH2+]C[C@@H]1O	ZINC000331438492	263236732	/nfs/dbraw/zinc/23/67/32/263236732.db2.gz	BCEHPKQCBVNUPJ-RNJOBUHISA-N	2	0	310.398	-1.480	20	0		DAADRP
CCOC(=O)COCCNC(=O)N1CCN(C)C[C@H]1C[NH3+]	ZINC000517019986	263237788	/nfs/dbraw/zinc/23/77/88/263237788.db2.gz	JSSCNVXSPFVEAB-LLVKDONJSA-N	2	0	302.375	-1.150	20	0		DAADRP
CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)CN1CC[NH+](C)CC1	ZINC000263260723	263244980	/nfs/dbraw/zinc/24/49/80/263244980.db2.gz	SOHGTFTXPWSBJH-JSGCOSHPSA-N	2	0	313.446	-1.162	20	0		DAADRP
CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1	ZINC000423354173	263248439	/nfs/dbraw/zinc/24/84/39/263248439.db2.gz	FOZVBZLVAOEHPN-OLZOCXBDSA-N	2	0	312.414	-1.029	20	0		DAADRP
CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000418944310	263250771	/nfs/dbraw/zinc/25/07/71/263250771.db2.gz	MFYLECSHDAGSKR-ZDUSSCGKSA-N	2	0	313.446	-1.146	20	0		DAADRP
CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](C[NH3+])OC)CC1	ZINC000353473189	263254561	/nfs/dbraw/zinc/25/45/61/263254561.db2.gz	USLPJUSRTSGMHY-LBPRGKRZSA-N	2	0	300.403	-1.027	20	0		DAADRP
C[C@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@H]1C	ZINC000351553051	263262775	/nfs/dbraw/zinc/26/27/75/263262775.db2.gz	CWVDLUMAPDFNJM-FRRDWIJNSA-N	2	0	312.414	-1.232	20	0		DAADRP
CN(C)C(=O)CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000527373878	263268087	/nfs/dbraw/zinc/26/80/87/263268087.db2.gz	PJUCZPDDQGNXQX-UHFFFAOYSA-N	2	0	315.418	-1.857	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1	ZINC000419856769	263270398	/nfs/dbraw/zinc/27/03/98/263270398.db2.gz	FTCBMVMLXVCSAM-GFCCVEGCSA-N	2	0	300.403	-1.124	20	0		DAADRP
C[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)C(C)(C)C[NH+](C)C	ZINC000419537227	263271160	/nfs/dbraw/zinc/27/11/60/263271160.db2.gz	CNRIFUMEKCSCDQ-LLVKDONJSA-N	2	0	302.419	-1.142	20	0		DAADRP
Cn1c2ncn(CC[N@@H+]3CC[C@H](C[NH3+])C3)c2c(=O)n(C)c1=O	ZINC000430922142	263272582	/nfs/dbraw/zinc/27/25/82/263272582.db2.gz	XPOHQRSAFVEIFP-SNVBAGLBSA-N	2	0	306.370	-1.286	20	0		DAADRP
C[NH+](C)[C@@]1(CNC(=O)CN2CCNCC2=O)CCSC1	ZINC000430688421	263276011	/nfs/dbraw/zinc/27/60/11/263276011.db2.gz	XKWYQCQSUQAKEP-CYBMUJFWSA-N	2	0	300.428	-1.028	20	0		DAADRP
C[NH+](C)CCNC(=O)[C@H]1CC[C@@H](C(=O)NCC[NH+](C)C)O1	ZINC000187303894	263276293	/nfs/dbraw/zinc/27/62/93/263276293.db2.gz	KNKJUGCXPPCQNC-TXEJJXNPSA-N	2	0	300.403	-1.110	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[NH2+]C1	ZINC000517342775	263278894	/nfs/dbraw/zinc/27/88/94/263278894.db2.gz	XCOJGWHMABYPBQ-ZDUSSCGKSA-N	3	0	313.446	-1.194	20	0		DAADRP
CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1	ZINC000423494070	263280847	/nfs/dbraw/zinc/28/08/47/263280847.db2.gz	CSZKIYNCGKFNOU-GFCCVEGCSA-N	2	0	300.403	-1.029	20	0		DAADRP
CN1CCN(C(=O)C2CCN([C@H]3CC(=O)NC3=O)CC2)CC1	ZINC000514870965	263281408	/nfs/dbraw/zinc/28/14/08/263281408.db2.gz	OPJSBIPAXQXGIJ-LBPRGKRZSA-N	2	0	308.382	-1.113	20	0		DAADRP
CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]([NH3+])COC)CC1	ZINC000262400819	263283204	/nfs/dbraw/zinc/28/32/04/263283204.db2.gz	ZRJIJVGUJGYNIN-GFCCVEGCSA-N	2	0	300.403	-1.027	20	0		DAADRP
CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1	ZINC000514824367	263287308	/nfs/dbraw/zinc/28/73/08/263287308.db2.gz	DYYOMTOAVIXOSS-AWEZNQCLSA-N	2	0	323.441	-1.144	20	0		DAADRP
CS(=O)(=O)NCCN1CCCC[C@@H]1CNC(=O)CC[NH3+]	ZINC000436048470	263289439	/nfs/dbraw/zinc/28/94/39/263289439.db2.gz	FFASQJZPYLILHX-LLVKDONJSA-N	2	0	306.432	-1.145	20	0		DAADRP
C[NH+](CCOCC[N@@H+](C)[C@@H]1COC[C@@H]1O)[C@@H]1COC[C@@H]1O	ZINC000352798054	263290267	/nfs/dbraw/zinc/29/02/67/263290267.db2.gz	XCKIXSRNFPTLRU-MQYQWHSLSA-N	2	0	304.387	-1.614	20	0		DAADRP
O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCOCC1	ZINC000430653744	263292611	/nfs/dbraw/zinc/29/26/11/263292611.db2.gz	ZMVRBZXUNIZJBV-CQSZACIVSA-N	2	0	324.425	-1.011	20	0		DAADRP
CCN1C(=O)[C@@H]2CN(CC(=O)N3CCN(C)CC3)CCN2C1=O	ZINC000362339988	263298728	/nfs/dbraw/zinc/29/87/28/263298728.db2.gz	JDCDLIMMKMPFMS-LBPRGKRZSA-N	2	0	323.397	-1.271	20	0		DAADRP
CS(=O)(=O)N[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1	ZINC000262272831	263304268	/nfs/dbraw/zinc/30/42/68/263304268.db2.gz	YNONVIXAAQTJHD-LLVKDONJSA-N	2	0	304.416	-1.568	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)CC1=O	ZINC000424046460	263310287	/nfs/dbraw/zinc/31/02/87/263310287.db2.gz	QOHJSQYOQDRFGM-RWMBFGLXSA-N	2	0	310.398	-1.404	20	0		DAADRP
O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCN2CCCC[C@@H]2C1	ZINC000332010440	263311764	/nfs/dbraw/zinc/31/17/64/263311764.db2.gz	JXWWHTALWRBQSO-CHWSQXEVSA-N	2	0	310.398	-1.212	20	0		DAADRP
CCOCCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1	ZINC000430647992	263314269	/nfs/dbraw/zinc/31/42/69/263314269.db2.gz	YPEIJNRKMDPNHS-GFCCVEGCSA-N	2	0	300.403	-1.074	20	0		DAADRP
CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC1CC[NH2+]CC1)C2	ZINC000261640403	263317691	/nfs/dbraw/zinc/31/76/91/263317691.db2.gz	AEZHTIDBRJIZPY-UHFFFAOYSA-N	2	0	322.413	-1.052	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C[C@H](C)N1CCO	ZINC000423681643	263318057	/nfs/dbraw/zinc/31/80/57/263318057.db2.gz	OGHMWYUIAOPJBM-RWMBFGLXSA-N	2	0	312.414	-1.280	20	0		DAADRP
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1	ZINC000418914483	263318725	/nfs/dbraw/zinc/31/87/25/263318725.db2.gz	FSUYFIDPNTXOPK-QWHCGFSZSA-N	2	0	312.414	-1.063	20	0		DAADRP
C[NH+](CCOCC[N@@H+](C)[C@H]1COC[C@H]1O)[C@@H]1COC[C@@H]1O	ZINC000352798053	263320731	/nfs/dbraw/zinc/32/07/31/263320731.db2.gz	XCKIXSRNFPTLRU-LVEBTZEWSA-N	2	0	304.387	-1.614	20	0		DAADRP
CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000419530024	263326661	/nfs/dbraw/zinc/32/66/61/263326661.db2.gz	YSWZIKJZRXHCBH-CYBMUJFWSA-N	2	0	313.446	-1.146	20	0		DAADRP
CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cn(C)c(=O)n(C)c1=O	ZINC001195550473	782068958	/nfs/dbraw/zinc/06/89/58/782068958.db2.gz	YUCLFMRPWAZDTB-UHFFFAOYSA-N	2	0	324.385	-1.239	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1O	ZINC001195859004	782085144	/nfs/dbraw/zinc/08/51/44/782085144.db2.gz	AHOUUBVLSBHIOF-JHJVBQTASA-N	2	0	322.413	-1.122	20	0		DAADRP
CN1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)[C@H](C[NH3+])C1	ZINC000569359813	332049196	/nfs/dbraw/zinc/04/91/96/332049196.db2.gz	ROIWKOPMTDKORA-NWDGAFQWSA-N	2	0	307.402	-1.255	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)CC1=O	ZINC000152723046	332484553	/nfs/dbraw/zinc/48/45/53/332484553.db2.gz	GVOISBDZHXEOEK-WFASDCNBSA-N	2	0	314.430	-1.175	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)CC1=O	ZINC000571332106	333750952	/nfs/dbraw/zinc/75/09/52/333750952.db2.gz	WDVHLLFVRIQOIX-MCIONIFRSA-N	2	0	324.425	-1.014	20	0		DAADRP
COCC1(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]CC1	ZINC000571520886	333813861	/nfs/dbraw/zinc/81/38/61/333813861.db2.gz	LQZMMCRTKJRLHW-GFCCVEGCSA-N	2	0	312.414	-1.013	20	0		DAADRP
C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCN2CC[NH2+]CC2)[C@H](C)C1	ZINC000333819420	336210493	/nfs/dbraw/zinc/21/04/93/336210493.db2.gz	KQTHMBVYVXQDJM-ZIAGYGMSSA-N	2	0	313.446	-1.012	20	0		DAADRP
CC[C@@H]1CN(C(=O)CN2CCNCC2=O)CC[N@@H+]1CCOC	ZINC000168072139	339053498	/nfs/dbraw/zinc/05/34/98/339053498.db2.gz	NCHJOMIXFSASSU-CYBMUJFWSA-N	2	0	312.414	-1.013	20	0		DAADRP
CC[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1	ZINC001197058667	782121927	/nfs/dbraw/zinc/12/19/27/782121927.db2.gz	WETIRFGQHLYAIT-GRYCIOLGSA-N	2	0	300.403	-1.247	20	0		DAADRP
CC[NH+](CC)CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O	ZINC001197057577	782122214	/nfs/dbraw/zinc/12/22/14/782122214.db2.gz	FMACEDDQTBVOKC-CHWSQXEVSA-N	2	0	310.402	-1.219	20	0		DAADRP
CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1O	ZINC001197058446	782122915	/nfs/dbraw/zinc/12/29/15/782122915.db2.gz	UALNDHPCHUYYHB-JHJVBQTASA-N	2	0	303.403	-1.503	20	0		DAADRP
C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)CC1	ZINC001197319718	782129280	/nfs/dbraw/zinc/12/92/80/782129280.db2.gz	QFNZNNKOTRWOSU-ZIAGYGMSSA-N	2	0	315.414	-1.359	20	0		DAADRP
C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O	ZINC001197826234	782142660	/nfs/dbraw/zinc/14/26/60/782142660.db2.gz	RSOYTSSZBMXAFS-BFHYXJOUSA-N	2	0	315.414	-1.238	20	0		DAADRP
C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1	ZINC001197826473	782142809	/nfs/dbraw/zinc/14/28/09/782142809.db2.gz	YPGUJMBWXFRHAC-BFHYXJOUSA-N	2	0	317.430	-1.113	20	0		DAADRP
CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1	ZINC001197826374	782142890	/nfs/dbraw/zinc/14/28/90/782142890.db2.gz	UKKVTTXYVDWQGE-CHWSQXEVSA-N	2	0	303.403	-1.238	20	0		DAADRP
COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1	ZINC001197947992	782145174	/nfs/dbraw/zinc/14/51/74/782145174.db2.gz	BQGYCJMPYHSOGN-BFHYXJOUSA-N	2	0	317.430	-1.113	20	0		DAADRP
CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O	ZINC001198029649	782147602	/nfs/dbraw/zinc/14/76/02/782147602.db2.gz	TUQBTSBRGAGUJA-ZIAGYGMSSA-N	2	0	317.430	-1.112	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O	ZINC001198699683	782159213	/nfs/dbraw/zinc/15/92/13/782159213.db2.gz	WSHCYDSBDFEQLO-BFHYXJOUSA-N	2	0	315.414	-1.502	20	0		DAADRP
[NH3+]C1(CC(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1	ZINC000662737116	545645583	/nfs/dbraw/zinc/64/55/83/545645583.db2.gz	MXHOTJIPPAQIEJ-LBPRGKRZSA-N	2	0	310.398	-1.083	20	0		DAADRP
CNc1nc(N2CC([NH+](C)C)C2)nc(N2CC([NH+](C)C)C2)n1	ZINC000347470102	545717182	/nfs/dbraw/zinc/71/71/82/545717182.db2.gz	ZXLKVBLPWPKZRO-UHFFFAOYSA-N	2	0	306.418	-1.164	20	0		DAADRP
COCCC[N@H+](C)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1	ZINC000351556833	545723444	/nfs/dbraw/zinc/72/34/44/545723444.db2.gz	HPBPVHCQLVKUQF-GFCCVEGCSA-N	2	0	300.403	-1.061	20	0		DAADRP
CN(C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1C[NH2+]C[C@@H]1O	ZINC000331438470	545724257	/nfs/dbraw/zinc/72/42/57/545724257.db2.gz	BCEHPKQCBVNUPJ-CYDGBPFRSA-N	2	0	310.398	-1.480	20	0		DAADRP
C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000331577060	545727334	/nfs/dbraw/zinc/72/73/34/545727334.db2.gz	WHRIIWKOMQPMNU-UONOGXRCSA-N	2	0	323.441	-1.297	20	0		DAADRP
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CC[NH3+])C1	ZINC000418925386	545764918	/nfs/dbraw/zinc/76/49/18/545764918.db2.gz	QENUMELLJUFEHW-LBPRGKRZSA-N	2	0	300.403	-1.124	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1	ZINC000419349662	545766337	/nfs/dbraw/zinc/76/63/37/545766337.db2.gz	DPGLDGOLRGJGAP-LBPRGKRZSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cn1	ZINC000649340375	545801180	/nfs/dbraw/zinc/80/11/80/545801180.db2.gz	USSBFXLWFTZALA-IMRBUKKESA-N	2	0	320.397	-1.035	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1	ZINC000521029830	545803980	/nfs/dbraw/zinc/80/39/80/545803980.db2.gz	TYUJRAHVFIEYGN-FRRDWIJNSA-N	2	0	323.459	-1.015	20	0		DAADRP
C[C@@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@H]1CCC[NH2+]C1	ZINC000656019597	545809867	/nfs/dbraw/zinc/80/98/67/545809867.db2.gz	HCGJACPQIWQMBF-ZOBORPQBSA-N	2	0	324.425	-1.232	20	0		DAADRP
CC1(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]CC1	ZINC000656023390	545810875	/nfs/dbraw/zinc/81/08/75/545810875.db2.gz	ALRKGHOIPPWPRV-QWHCGFSZSA-N	2	0	324.425	-1.230	20	0		DAADRP
[NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656023132	545811418	/nfs/dbraw/zinc/81/14/18/545811418.db2.gz	WGXGGGITNCEVIV-IGQOVBAYSA-N	2	0	324.425	-1.103	20	0		DAADRP
CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656023042	545811678	/nfs/dbraw/zinc/81/16/78/545811678.db2.gz	SHDDHTTYNHOLEQ-FRRDWIJNSA-N	2	0	312.414	-1.247	20	0		DAADRP
CN1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H](C[NH3+])C1	ZINC000656039827	545813858	/nfs/dbraw/zinc/81/38/58/545813858.db2.gz	IHLHUFFPWNNBJZ-XQQFMLRXSA-N	2	0	311.430	-1.456	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)C[C@@H]21	ZINC000656090047	545814537	/nfs/dbraw/zinc/81/45/37/545814537.db2.gz	XCUZWZNUMPWGAE-RQJABVFESA-N	2	0	322.409	-1.574	20	0		DAADRP
C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656105156	545815291	/nfs/dbraw/zinc/81/52/91/545815291.db2.gz	YNYMBHJXCVIYRR-FQUUOJAGSA-N	2	0	324.425	-1.008	20	0		DAADRP
C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656105161	545815473	/nfs/dbraw/zinc/81/54/73/545815473.db2.gz	YNYMBHJXCVIYRR-XJFOESAGSA-N	2	0	324.425	-1.008	20	0		DAADRP
O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@]2(CC[NH2+]C2)C1	ZINC000656103985	545816756	/nfs/dbraw/zinc/81/67/56/545816756.db2.gz	FCMVRXNPVBHMLW-WOSRLPQWSA-N	2	0	322.409	-1.524	20	0		DAADRP
C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC000656103642	545816904	/nfs/dbraw/zinc/81/69/04/545816904.db2.gz	BFRXBOYXNHMJKT-RWMBFGLXSA-N	2	0	310.398	-1.526	20	0		DAADRP
[NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC000656104548	545817522	/nfs/dbraw/zinc/81/75/22/545817522.db2.gz	QFTLRTRSNBOJLF-MELADBBJSA-N	2	0	324.425	-1.149	20	0		DAADRP
O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656104084	545817787	/nfs/dbraw/zinc/81/77/87/545817787.db2.gz	GTOVSTIRXXZDQH-RFQIPJPRSA-N	2	0	322.409	-1.383	20	0		DAADRP
C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656104003	545817930	/nfs/dbraw/zinc/81/79/30/545817930.db2.gz	FMHKSBYTPLTJQD-QNWHQSFQSA-N	2	0	310.398	-1.527	20	0		DAADRP
C[NH+](C)C1(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCC1	ZINC000656328796	545820251	/nfs/dbraw/zinc/82/02/51/545820251.db2.gz	IBCHQPRDNGWROU-QWHCGFSZSA-N	2	0	324.425	-1.136	20	0		DAADRP
C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C	ZINC000656316179	545821013	/nfs/dbraw/zinc/82/10/13/545821013.db2.gz	PVHLLXRNUPPVNE-RFQIPJPRSA-N	2	0	324.425	-1.137	20	0		DAADRP
CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC000627393162	545828747	/nfs/dbraw/zinc/82/87/47/545828747.db2.gz	QFJDSDMLCYTHSX-LBPRGKRZSA-N	2	0	300.403	-1.061	20	0		DAADRP
COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC000627384810	545829164	/nfs/dbraw/zinc/82/91/64/545829164.db2.gz	PFPBWPUODFGANK-LBPRGKRZSA-N	2	0	316.402	-1.825	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC000627393708	545829777	/nfs/dbraw/zinc/82/97/77/545829777.db2.gz	IFSKUTYDMLUTQJ-NSHDSACASA-N	2	0	302.375	-2.215	20	0		DAADRP
O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000662908132	545840167	/nfs/dbraw/zinc/84/01/67/545840167.db2.gz	ZEEOJLPRUBJLEP-KGLIPLIRSA-N	2	0	323.441	-1.249	20	0		DAADRP
C[NH+](C)CCn1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)n1	ZINC000633029123	545849168	/nfs/dbraw/zinc/84/91/68/545849168.db2.gz	ITFQWFXHLRMRMH-QWRGUYRKSA-N	2	0	306.370	-1.044	20	0		DAADRP
NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[NH+]2CCN1CCC2	ZINC000677883178	545875527	/nfs/dbraw/zinc/87/55/27/545875527.db2.gz	MATXCLKJRLTJLO-KGLIPLIRSA-N	2	0	323.441	-1.168	20	0		DAADRP
Cn1nncc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000684577450	545890925	/nfs/dbraw/zinc/89/09/25/545890925.db2.gz	WYPNUHXMXDGYDQ-UHFFFAOYSA-N	2	0	304.420	-1.071	20	0		DAADRP
COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1	ZINC001199111736	782172199	/nfs/dbraw/zinc/17/21/99/782172199.db2.gz	JUHNQGHTQUSWDN-JHJVBQTASA-N	2	0	303.403	-1.505	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)C[NH+](C)C	ZINC000911265635	663141111	/nfs/dbraw/zinc/14/11/11/663141111.db2.gz	DORLDKVCGYDYBD-LBPRGKRZSA-N	2	0	300.403	-1.063	20	0		DAADRP
COCC[N@H+](C)C[C@@H](O)CN1CCC[NH2+]C[C@@H]1C(=O)OC	ZINC000923354385	663696376	/nfs/dbraw/zinc/69/63/76/663696376.db2.gz	TUZXIDKQWWLCDB-CHWSQXEVSA-N	2	0	303.403	-1.238	20	0		DAADRP
C[C@H]([NH3+])CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000863754797	663925711	/nfs/dbraw/zinc/92/57/11/663925711.db2.gz	RJAXKBFHUMCAFT-LBPRGKRZSA-N	3	0	301.435	-1.256	20	0		DAADRP
C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)cn1	ZINC001020721572	662340767	/nfs/dbraw/zinc/34/07/67/662340767.db2.gz	SOXYQLZGGCJTPC-HAQNSBGRSA-N	2	0	308.386	-1.220	20	0		DAADRP
NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC001022451676	662393005	/nfs/dbraw/zinc/39/30/05/662393005.db2.gz	DVPPLPNTVWNNKI-DVOPFRQNSA-N	2	0	308.382	-1.428	20	0		DAADRP
C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)cn1	ZINC001022838603	662409878	/nfs/dbraw/zinc/40/98/78/662409878.db2.gz	SOXYQLZGGCJTPC-TXEJJXNPSA-N	2	0	308.386	-1.220	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1	ZINC001023086332	662428390	/nfs/dbraw/zinc/42/83/90/662428390.db2.gz	IKFRPBYQIFAGBT-WISYIIOYSA-N	2	0	308.382	-1.020	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1	ZINC001023086843	662428701	/nfs/dbraw/zinc/42/87/01/662428701.db2.gz	YXLOKVOQCATIQU-UTUOFQBUSA-N	2	0	323.397	-1.273	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3ccnc3)C[C@H]2O)C1	ZINC001023787654	662460065	/nfs/dbraw/zinc/46/00/65/662460065.db2.gz	NDXJZGCOQOTEIH-YNEHKIRRSA-N	2	0	321.381	-1.477	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2O)C1	ZINC001023788281	662460098	/nfs/dbraw/zinc/46/00/98/662460098.db2.gz	VAGCODKMMGWTPL-CYZMBNFOSA-N	2	0	321.381	-1.408	20	0		DAADRP
O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O	ZINC001023795691	662461562	/nfs/dbraw/zinc/46/15/62/662461562.db2.gz	NZYFTXUKSJJOBG-ZIAGYGMSSA-N	2	0	324.425	-1.134	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2)C1	ZINC001024411277	662473251	/nfs/dbraw/zinc/47/32/51/662473251.db2.gz	IGRFAECOUZXAFA-FRRDWIJNSA-N	2	0	321.381	-1.335	20	0		DAADRP
C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1	ZINC001025014326	662491116	/nfs/dbraw/zinc/49/11/16/662491116.db2.gz	RAFMBLAXWYYQGI-AAVRWANBSA-N	2	0	324.425	-1.137	20	0		DAADRP
COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1	ZINC000314133092	662528675	/nfs/dbraw/zinc/52/86/75/662528675.db2.gz	KOBXOWGHFKBJJH-GJZGRUSLSA-N	2	0	300.447	-1.095	20	0		DAADRP
COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1	ZINC000314133094	662528903	/nfs/dbraw/zinc/52/89/03/662528903.db2.gz	KOBXOWGHFKBJJH-LSDHHAIUSA-N	2	0	300.447	-1.095	20	0		DAADRP
COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC000314133093	662528996	/nfs/dbraw/zinc/52/89/96/662528996.db2.gz	KOBXOWGHFKBJJH-HUUCEWRRSA-N	2	0	300.447	-1.095	20	0		DAADRP
CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1	ZINC000977948108	662607393	/nfs/dbraw/zinc/60/73/93/662607393.db2.gz	BFNYZWYWGXKMEG-RVMXOQNASA-N	2	0	310.398	-1.643	20	0		DAADRP
NC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1	ZINC001028698491	662686101	/nfs/dbraw/zinc/68/61/01/662686101.db2.gz	LAULFKLNNNKKHB-ZMDMRTEPSA-N	2	0	322.409	-1.227	20	0		DAADRP
C[NH+](C)CCn1cc(C(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)cn1	ZINC001028857567	662692722	/nfs/dbraw/zinc/69/27/22/662692722.db2.gz	YEWHLRSQMYBUFC-GFCCVEGCSA-N	2	0	322.413	-1.018	20	0		DAADRP
Cn1[nH]c(CN2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1=O	ZINC001028984890	662694580	/nfs/dbraw/zinc/69/45/80/662694580.db2.gz	FWZYVCCIIXJQFP-VXGBXAGGSA-N	2	0	322.413	-1.002	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1	ZINC000904957658	662792147	/nfs/dbraw/zinc/79/21/47/662792147.db2.gz	BPMUQYWDSBRTIJ-SWLSCSKDSA-N	2	0	312.414	-1.170	20	0		DAADRP
C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)C[C@]2(C)C1	ZINC000904962109	662792183	/nfs/dbraw/zinc/79/21/83/662792183.db2.gz	UUSIALCTGYCGGQ-WWGRRREGSA-N	2	0	324.425	-1.027	20	0		DAADRP
C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCO1	ZINC000904959108	662792394	/nfs/dbraw/zinc/79/23/94/662792394.db2.gz	KJEZIRRACOOGSC-LMOYCYGVSA-N	2	0	324.425	-1.029	20	0		DAADRP
C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@]([NH3+])(CO)C3)C[C@]2(C)C1	ZINC000904968051	662792414	/nfs/dbraw/zinc/79/24/14/662792414.db2.gz	FHCSDZQUGXBYAV-UHOFOFEASA-N	2	0	324.425	-1.291	20	0		DAADRP
C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)C[C@]2(C)C1	ZINC000904962102	662792439	/nfs/dbraw/zinc/79/24/39/662792439.db2.gz	UUSIALCTGYCGGQ-IOASZLSFSA-N	2	0	324.425	-1.027	20	0		DAADRP
[NH3+]C[C@@]12CC[C@H]1CCN2C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000905006883	662793042	/nfs/dbraw/zinc/79/30/42/662793042.db2.gz	FTAMQKODAAKDKZ-JFILPPLUSA-N	2	0	322.409	-1.396	20	0		DAADRP
COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1	ZINC000905017763	662793586	/nfs/dbraw/zinc/79/35/86/662793586.db2.gz	WFONZFYIRUPUCI-STQMWFEESA-N	2	0	312.414	-1.014	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C[C@H]1[NH3+]	ZINC000904986939	662793589	/nfs/dbraw/zinc/79/35/89/662793589.db2.gz	MBDVWKULVQUMPE-SYQHCUMBSA-N	2	0	324.425	-1.150	20	0		DAADRP
[NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1	ZINC000904985816	662793600	/nfs/dbraw/zinc/79/36/00/662793600.db2.gz	DPVQTESXUNMPKA-MJBXVCDLSA-N	2	0	324.425	-1.006	20	0		DAADRP
C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000904985749	662793956	/nfs/dbraw/zinc/79/39/56/662793956.db2.gz	CPMKYAXXTUEGEV-AVGNSLFASA-N	2	0	312.414	-1.150	20	0		DAADRP
O=C(C(=O)N1CC[NH2+]CC1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO	ZINC000904989699	662794112	/nfs/dbraw/zinc/79/41/12/662794112.db2.gz	NJBCYYRYFIUQLN-QWHCGFSZSA-N	2	0	310.398	-1.524	20	0		DAADRP
C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC[NH2+]1	ZINC000904988095	662794168	/nfs/dbraw/zinc/79/41/68/662794168.db2.gz	SMMNBVKESZPRSH-BFHYXJOUSA-N	2	0	324.425	-1.136	20	0		DAADRP
COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC1	ZINC000905023727	662794701	/nfs/dbraw/zinc/79/47/01/662794701.db2.gz	URBSSEIWHIYQET-ZDUSSCGKSA-N	2	0	312.414	-1.014	20	0		DAADRP
COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1	ZINC000905022389	662794815	/nfs/dbraw/zinc/79/48/15/662794815.db2.gz	QSSRXIARNUYLDF-HZSPNIEDSA-N	2	0	324.425	-1.014	20	0		DAADRP
CN1CC[N@H+](C)CC(C(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1	ZINC000908029555	662799309	/nfs/dbraw/zinc/79/93/09/662799309.db2.gz	UCTOPVSESLDAJC-HNNXBMFYSA-N	2	0	309.458	-1.014	20	0		DAADRP
CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000910979083	663135183	/nfs/dbraw/zinc/13/51/83/663135183.db2.gz	UNTCELKMECJYRI-ZDUSSCGKSA-N	2	0	313.446	-1.146	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C	ZINC000911031303	663135587	/nfs/dbraw/zinc/13/55/87/663135587.db2.gz	PIEROBRLPIUEEG-RYUDHWBXSA-N	2	0	311.430	-1.537	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1	ZINC000911032377	663135800	/nfs/dbraw/zinc/13/58/00/663135800.db2.gz	UDLBDCVKTUXHEX-NEPJUHHUSA-N	2	0	311.430	-1.456	20	0		DAADRP
C[N@H+](CCNC(=O)C(=O)NCCN1CCC([NH3+])CC1)C1CC1	ZINC000911052603	663135968	/nfs/dbraw/zinc/13/59/68/663135968.db2.gz	DJAYYMXYIMZTLH-UHFFFAOYSA-N	2	0	311.430	-1.264	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1	ZINC000911032386	663136100	/nfs/dbraw/zinc/13/61/00/663136100.db2.gz	UDLBDCVKTUXHEX-VXGBXAGGSA-N	2	0	311.430	-1.456	20	0		DAADRP
O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2	ZINC000911147811	663137245	/nfs/dbraw/zinc/13/72/45/663137245.db2.gz	JQZFDONIBOBSID-MEBFFEOJSA-N	2	0	322.409	-1.025	20	0		DAADRP
C[C@@H]1C[C@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)C[N@@H+]1C1CC1	ZINC000911147375	663137326	/nfs/dbraw/zinc/13/73/26/663137326.db2.gz	QKIVOJNSNVCHMH-OLZOCXBDSA-N	2	0	323.441	-1.251	20	0		DAADRP
[NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1	ZINC000911148935	663137380	/nfs/dbraw/zinc/13/73/80/663137380.db2.gz	SYSUEHMUCAEKTH-XQQFMLRXSA-N	2	0	310.398	-1.085	20	0		DAADRP
C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CCC1	ZINC000911111709	663137547	/nfs/dbraw/zinc/13/75/47/663137547.db2.gz	DGYQSDQRZWGHFH-AWEZNQCLSA-N	2	0	312.414	-1.101	20	0		DAADRP
C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000911146267	663137723	/nfs/dbraw/zinc/13/77/23/663137723.db2.gz	KPPGGZYHXNBDLH-GXTWGEPZSA-N	2	0	323.441	-1.393	20	0		DAADRP
CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000911188252	663138393	/nfs/dbraw/zinc/13/83/93/663138393.db2.gz	SIOWGSPJSQHCCZ-CYBMUJFWSA-N	2	0	313.446	-1.146	20	0		DAADRP
COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C	ZINC000911177846	663138741	/nfs/dbraw/zinc/13/87/41/663138741.db2.gz	XTFDHNUECWMKCF-VXGBXAGGSA-N	2	0	300.403	-1.205	20	0		DAADRP
CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000911188253	663138891	/nfs/dbraw/zinc/13/88/91/663138891.db2.gz	SIOWGSPJSQHCCZ-ZDUSSCGKSA-N	2	0	313.446	-1.146	20	0		DAADRP
COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1	ZINC000911239629	663139313	/nfs/dbraw/zinc/13/93/13/663139313.db2.gz	CZLFWYPXACGWSY-FVCCEPFGSA-N	2	0	310.398	-1.168	20	0		DAADRP
COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)C1	ZINC000911236412	663139637	/nfs/dbraw/zinc/13/96/37/663139637.db2.gz	QQYODCZZPCWJIR-AGIUHOORSA-N	2	0	312.414	-1.205	20	0		DAADRP
C[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000911271278	663140457	/nfs/dbraw/zinc/14/04/57/663140457.db2.gz	ZUDFVXYTVHYMSP-QWHCGFSZSA-N	2	0	312.414	-1.230	20	0		DAADRP
CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1	ZINC000911245119	663140464	/nfs/dbraw/zinc/14/04/64/663140464.db2.gz	WJANXQYIPGSJBV-AWEZNQCLSA-N	2	0	300.403	-1.243	20	0		DAADRP
CC[NH+](CC)CCNC(=O)C(=O)NCCN1CCC([NH3+])CC1	ZINC000911243852	663140539	/nfs/dbraw/zinc/14/05/39/663140539.db2.gz	CNBZPSXYQTYBKX-UHFFFAOYSA-N	2	0	313.446	-1.016	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)C[NH+](C)C	ZINC000911272655	663140623	/nfs/dbraw/zinc/14/06/23/663140623.db2.gz	DPIFILKIUYUQNQ-NWDGAFQWSA-N	2	0	300.403	-1.077	20	0		DAADRP
O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000911265225	663140806	/nfs/dbraw/zinc/14/08/06/663140806.db2.gz	BHWNAINIRKLAHA-RDBSUJKOSA-N	2	0	324.425	-1.088	20	0		DAADRP
[NH3+]C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)C1CC1	ZINC000911298617	663140898	/nfs/dbraw/zinc/14/08/98/663140898.db2.gz	SCFDBQCBUMLUJN-MJBXVCDLSA-N	2	0	324.425	-1.103	20	0		DAADRP
O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO	ZINC000911265222	663140908	/nfs/dbraw/zinc/14/09/08/663140908.db2.gz	BHWNAINIRKLAHA-HZSPNIEDSA-N	2	0	324.425	-1.088	20	0		DAADRP
C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCCOCC[NH+](C)C	ZINC000911259214	663140923	/nfs/dbraw/zinc/14/09/23/663140923.db2.gz	WCYFHQKBOHOTPP-NEPJUHHUSA-N	2	0	300.403	-1.348	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1	ZINC000911259618	663140972	/nfs/dbraw/zinc/14/09/72/663140972.db2.gz	YPWFYCINXIUGTK-QWHCGFSZSA-N	2	0	312.414	-1.251	20	0		DAADRP
[NH3+]C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)C1CC1	ZINC000911298613	663140984	/nfs/dbraw/zinc/14/09/84/663140984.db2.gz	SCFDBQCBUMLUJN-IHRRRGAJSA-N	2	0	324.425	-1.103	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1	ZINC000911258026	663140998	/nfs/dbraw/zinc/14/09/98/663140998.db2.gz	LSCUGCPODXCUIY-GFCCVEGCSA-N	2	0	300.403	-1.122	20	0		DAADRP
C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000911292128	663141046	/nfs/dbraw/zinc/14/10/46/663141046.db2.gz	PAZTZDQYPJBBQO-FRRDWIJNSA-N	2	0	312.414	-1.245	20	0		DAADRP
O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000911286967	663141446	/nfs/dbraw/zinc/14/14/46/663141446.db2.gz	BHWNAINIRKLAHA-IHRRRGAJSA-N	2	0	324.425	-1.088	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)C[NH+](C)C	ZINC000911310819	663141681	/nfs/dbraw/zinc/14/16/81/663141681.db2.gz	NXPGCKJNOAGTNW-RYUDHWBXSA-N	2	0	316.402	-1.826	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)C[NH+](C)C	ZINC000911336155	663141703	/nfs/dbraw/zinc/14/17/03/663141703.db2.gz	KGQOQWHKMUKFQL-AVERBVTBSA-N	2	0	312.414	-1.063	20	0		DAADRP
O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO	ZINC000911282229	663141858	/nfs/dbraw/zinc/14/18/58/663141858.db2.gz	OWBLWTUETGZHLH-MELADBBJSA-N	2	0	324.425	-1.088	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C[NH+](C)C	ZINC000911349039	663142368	/nfs/dbraw/zinc/14/23/68/663142368.db2.gz	WNENFYRTOLDFBX-SDDRHHMPSA-N	2	0	300.403	-1.064	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C[NH+](C)C	ZINC000911345955	663142880	/nfs/dbraw/zinc/14/28/80/663142880.db2.gz	LZPSHRQARDRWCO-RYUDHWBXSA-N	2	0	316.402	-1.826	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C[NH+](C)C	ZINC000911345953	663143113	/nfs/dbraw/zinc/14/31/13/663143113.db2.gz	LZPSHRQARDRWCO-NEPJUHHUSA-N	2	0	316.402	-1.826	20	0		DAADRP
C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000911339351	663143160	/nfs/dbraw/zinc/14/31/60/663143160.db2.gz	VPCDOHWVSJPDMB-RWMBFGLXSA-N	2	0	312.414	-1.232	20	0		DAADRP
C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000911384256	663143241	/nfs/dbraw/zinc/14/32/41/663143241.db2.gz	ZQDLJCRSUZLQTG-MROQNXINSA-N	2	0	310.398	-1.765	20	0		DAADRP
C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000911366813	663143559	/nfs/dbraw/zinc/14/35/59/663143559.db2.gz	JRAJYDQGGDVVOP-AAVRWANBSA-N	2	0	324.425	-1.232	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)C[NH+](C)C	ZINC000911435336	663144389	/nfs/dbraw/zinc/14/43/89/663144389.db2.gz	LPSFLMCWNGJVTD-NWDGAFQWSA-N	2	0	316.402	-1.745	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)C[NH+](C)C	ZINC000911436765	663144440	/nfs/dbraw/zinc/14/44/40/663144440.db2.gz	VPMPISVBDKYZPE-NWDGAFQWSA-N	2	0	300.403	-1.124	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)C[NH+](C)C	ZINC000911433623	663144474	/nfs/dbraw/zinc/14/44/74/663144474.db2.gz	BUGFDTPPNSZQOC-IJLUTSLNSA-N	2	0	318.393	-1.033	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)C[NH+](C)C	ZINC000911437163	663144486	/nfs/dbraw/zinc/14/44/86/663144486.db2.gz	ZCIABHXLDBAIFI-NEPJUHHUSA-N	2	0	300.403	-1.110	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)C[NH+](C)C	ZINC000911433643	663144678	/nfs/dbraw/zinc/14/46/78/663144678.db2.gz	COWLTZGMDLSEQX-VXGBXAGGSA-N	2	0	300.403	-1.110	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)C[NH+](C)C	ZINC000911435375	663144706	/nfs/dbraw/zinc/14/47/06/663144706.db2.gz	MAQREYVNIGJDNI-IJLUTSLNSA-N	2	0	300.403	-1.125	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)C[NH+](C)C	ZINC000911433609	663144782	/nfs/dbraw/zinc/14/47/82/663144782.db2.gz	BJTRXHQGDHQOLO-VXGBXAGGSA-N	2	0	300.403	-1.110	20	0		DAADRP
CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000911529664	663147815	/nfs/dbraw/zinc/14/78/15/663147815.db2.gz	WGRBZDXKVVPNDM-QJPTWQEYSA-N	2	0	310.398	-1.622	20	0		DAADRP
O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000911562734	663148102	/nfs/dbraw/zinc/14/81/02/663148102.db2.gz	LLRSLKZICZDWNI-MELADBBJSA-N	2	0	324.425	-1.088	20	0		DAADRP
O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000911562733	663148196	/nfs/dbraw/zinc/14/81/96/663148196.db2.gz	LLRSLKZICZDWNI-HZSPNIEDSA-N	2	0	324.425	-1.088	20	0		DAADRP
CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCCCN1CC[NH2+]CC1	ZINC000911628040	663149667	/nfs/dbraw/zinc/14/96/67/663149667.db2.gz	GRGRZPLOFDSZOG-CQSZACIVSA-N	2	0	313.446	-1.113	20	0		DAADRP
CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCCCN1CC[NH2+]CC1	ZINC000911628039	663149693	/nfs/dbraw/zinc/14/96/93/663149693.db2.gz	GRGRZPLOFDSZOG-AWEZNQCLSA-N	2	0	313.446	-1.113	20	0		DAADRP
C[C@]1(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C[C@H](O)C[NH2+]1	ZINC000911701525	663150480	/nfs/dbraw/zinc/15/04/80/663150480.db2.gz	DEVLLCOGJMZSCM-HEHGZKQESA-N	2	0	324.425	-1.230	20	0		DAADRP
CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N(C)CCN1CC[NH2+]CC1	ZINC000911775508	663151012	/nfs/dbraw/zinc/15/10/12/663151012.db2.gz	QKXDRTZTPUBWCV-AWEZNQCLSA-N	2	0	313.446	-1.160	20	0		DAADRP
CN(CC[N@H+](C)CCO)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000912606840	663153835	/nfs/dbraw/zinc/15/38/35/663153835.db2.gz	YOQPTRJJFXZIKE-ZDUSSCGKSA-N	2	0	314.430	-1.221	20	0		DAADRP
C[NH+](C)C1(C(=O)NC[C@H](CO)NC(=O)C2([NH+](C)C)CC2)CC1	ZINC000913919782	663238441	/nfs/dbraw/zinc/23/84/41/663238441.db2.gz	ZWKURTCYUSPRJF-LLVKDONJSA-N	2	0	312.414	-1.232	20	0		DAADRP
NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC000999765523	663563251	/nfs/dbraw/zinc/56/32/51/663563251.db2.gz	PAFCVKBOPNRTMO-BTJONVMOSA-N	2	0	322.409	-1.085	20	0		DAADRP
CO[C@H]1C[C@@H](C(=O)NCC[NH+](C)CCOCCO)[N@H+](C)C1	ZINC000922116582	663622225	/nfs/dbraw/zinc/62/22/25/663622225.db2.gz	NEFPIKRKQWBMIX-STQMWFEESA-N	2	0	303.403	-1.238	20	0		DAADRP
C[NH+](C)C[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)C[C@H]1C[NH+](C)C	ZINC000705927380	663688674	/nfs/dbraw/zinc/68/86/74/663688674.db2.gz	PIOYIDHYMKAISK-VXGBXAGGSA-N	3	0	304.460	-1.041	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCCS(N)(=O)=O	ZINC000923207734	663695590	/nfs/dbraw/zinc/69/55/90/663695590.db2.gz	MYTBEGRUSUYJMG-UHFFFAOYSA-N	2	0	323.463	-1.200	20	0		DAADRP
COCCOC[C@@H](O)C[N@@H+]1CCC[C@H](N2CCNCC2=O)C1	ZINC000923333818	663696569	/nfs/dbraw/zinc/69/65/69/663696569.db2.gz	TUYSTSNMUOMCHK-KBPBESRZSA-N	2	0	315.414	-1.094	20	0		DAADRP
COCCOC[C@H](O)C[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1	ZINC000923333821	663696655	/nfs/dbraw/zinc/69/66/55/663696655.db2.gz	TUYSTSNMUOMCHK-ZIAGYGMSSA-N	2	0	315.414	-1.094	20	0		DAADRP
COCCOC[C@@H](O)C[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1	ZINC000923333819	663696681	/nfs/dbraw/zinc/69/66/81/663696681.db2.gz	TUYSTSNMUOMCHK-KGLIPLIRSA-N	2	0	315.414	-1.094	20	0		DAADRP
O=C([C@@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1)N1CC[NH2+]CC1	ZINC000923567861	663698826	/nfs/dbraw/zinc/69/88/26/663698826.db2.gz	WHUWXJMXSUSZTQ-LLVKDONJSA-N	2	0	316.427	-1.568	20	0		DAADRP
CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000804056440	663844693	/nfs/dbraw/zinc/84/46/93/663844693.db2.gz	KRQYSVBEBPTTFG-STQMWFEESA-N	2	0	312.414	-1.014	20	0		DAADRP
CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000804056439	663844783	/nfs/dbraw/zinc/84/47/83/663844783.db2.gz	KRQYSVBEBPTTFG-QWHCGFSZSA-N	2	0	312.414	-1.014	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@@H](CO)NC(=O)C[NH+]1CCCC1	ZINC000821888736	663860999	/nfs/dbraw/zinc/86/09/99/663860999.db2.gz	UIDIQBWMDBPJCR-ZDUSSCGKSA-N	2	0	312.414	-1.229	20	0		DAADRP
C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000842164733	663876709	/nfs/dbraw/zinc/87/67/09/663876709.db2.gz	NZJATXPEHKTLQH-AVGNSLFASA-N	2	0	310.398	-1.214	20	0		DAADRP
C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000842164739	663876735	/nfs/dbraw/zinc/87/67/35/663876735.db2.gz	NZJATXPEHKTLQH-RWMBFGLXSA-N	2	0	310.398	-1.214	20	0		DAADRP
O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@]2(CCC[NH2+]2)C1	ZINC000848637605	663892495	/nfs/dbraw/zinc/89/24/95/663892495.db2.gz	RNGSABVDBVKCCB-ZENOOKHLSA-N	2	0	322.409	-1.382	20	0		DAADRP
O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000851685047	663896339	/nfs/dbraw/zinc/89/63/39/663896339.db2.gz	OVWOCTRWWYSHMP-BWAOXVRWSA-N	2	0	322.409	-1.166	20	0		DAADRP
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000861756032	663918489	/nfs/dbraw/zinc/91/84/89/663918489.db2.gz	SLSAPURVKXFPGA-WUHRBBMRSA-N	2	0	310.398	-1.168	20	0		DAADRP
CC[N@H+](CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C(C)C	ZINC000861803219	663918578	/nfs/dbraw/zinc/91/85/78/663918578.db2.gz	VPJQRQXYQZCGNS-LBPRGKRZSA-N	2	0	300.403	-1.063	20	0		DAADRP
CN(CC[NH3+])C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000868390835	663933896	/nfs/dbraw/zinc/93/38/96/663933896.db2.gz	QULSFYIFKBWGMJ-CHWSQXEVSA-N	3	0	313.446	-1.399	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1	ZINC000868397626	663934298	/nfs/dbraw/zinc/93/42/98/663934298.db2.gz	YSECYTVZQDIIFB-OLZOCXBDSA-N	2	0	312.414	-1.027	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1	ZINC000868397625	663934386	/nfs/dbraw/zinc/93/43/86/663934386.db2.gz	YSECYTVZQDIIFB-CHWSQXEVSA-N	2	0	312.414	-1.027	20	0		DAADRP
COCCN1CCN(S(=O)(=O)N2CC[NH2+]CC2)C[C@@H]1C	ZINC000923613666	663935989	/nfs/dbraw/zinc/93/59/89/663935989.db2.gz	ZYVOBKWZKQWEQW-LBPRGKRZSA-N	2	0	306.432	-1.211	20	0		DAADRP
CN(C)C(=O)CN1CCC(NS(=O)(=O)C2C[NH2+]C2)CC1	ZINC000923608849	663936083	/nfs/dbraw/zinc/93/60/83/663936083.db2.gz	XPQGLHRGRHSPPK-UHFFFAOYSA-N	2	0	304.416	-1.570	20	0		DAADRP
C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)C3C[NH2+]C3)CC2)C1	ZINC000923614232	663936152	/nfs/dbraw/zinc/93/61/52/663936152.db2.gz	PCCZNACXJBNDIS-LBPRGKRZSA-N	2	0	302.444	-1.000	20	0		DAADRP
Cn1cnn(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1=O	ZINC000870021148	663936678	/nfs/dbraw/zinc/93/66/78/663936678.db2.gz	BDFXFAQKZXSZKW-CHWSQXEVSA-N	2	0	324.429	-1.220	20	0		DAADRP
COCC1(CNS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]CC1	ZINC000923642346	663945114	/nfs/dbraw/zinc/94/51/14/663945114.db2.gz	CRYGGHLHYTWVTL-UHFFFAOYSA-N	2	0	306.432	-1.258	20	0		DAADRP
C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000876512038	663945447	/nfs/dbraw/zinc/94/54/47/663945447.db2.gz	DRSZZCVRWZKWRI-OLZOCXBDSA-N	2	0	311.430	-1.454	20	0		DAADRP
COC[C@]1(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C[NH2+]CCO1	ZINC000876782428	663948533	/nfs/dbraw/zinc/94/85/33/663948533.db2.gz	QQSMZGSXGJQHHD-HIFRSBDPSA-N	2	0	314.430	-1.257	20	0		DAADRP
COC[C@]1(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)C[NH2+]CCO1	ZINC000876782369	663948655	/nfs/dbraw/zinc/94/86/55/663948655.db2.gz	PLSMVZJTVBQDRX-HIFRSBDPSA-N	2	0	314.430	-1.257	20	0		DAADRP
COC[C@@]1(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C[NH2+]CCO1	ZINC000876782429	663948692	/nfs/dbraw/zinc/94/86/92/663948692.db2.gz	QQSMZGSXGJQHHD-UKRRQHHQSA-N	2	0	314.430	-1.257	20	0		DAADRP
CC[NH+]1CCN(CCNC(=O)[C@]2(COC)C[NH2+]CCO2)CC1	ZINC000876780063	663948716	/nfs/dbraw/zinc/94/87/16/663948716.db2.gz	BRXFURGCZQXMJF-OAHLLOKOSA-N	2	0	314.430	-1.255	20	0		DAADRP
COCC[NH2+]C1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1	ZINC000923653570	663948804	/nfs/dbraw/zinc/94/88/04/663948804.db2.gz	WDOVPERWMFTCJY-UHFFFAOYSA-N	2	0	306.432	-1.163	20	0		DAADRP
O=C(N1CC[NH2+]CC1)N1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1	ZINC000876995347	663949000	/nfs/dbraw/zinc/94/90/00/663949000.db2.gz	RYHKQPBXOZDHTI-CQSZACIVSA-N	2	0	313.377	-1.143	20	0		DAADRP
CCO[C@@H]1CN(C(=O)[C@]2(COC)C[NH2+]CCO2)C[C@H]1C[NH3+]	ZINC000876949877	663949478	/nfs/dbraw/zinc/94/94/78/663949478.db2.gz	YDDOPDSPIQXTPM-YRGRVCCFSA-N	2	0	301.387	-1.186	20	0		DAADRP
O=C(N1CC[NH2+]CC1)N1CCN(S(=O)(=O)C2C[NH2+]C2)CC1	ZINC000923659004	663950407	/nfs/dbraw/zinc/95/04/07/663950407.db2.gz	DPWNVVSHUSXOQM-UHFFFAOYSA-N	2	0	317.415	-2.069	20	0		DAADRP
O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C1	ZINC000923668779	663950976	/nfs/dbraw/zinc/95/09/76/663950976.db2.gz	LEDPDTPZYKMDDA-DVVUODLYSA-N	2	0	316.383	-1.845	20	0		DAADRP
C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000883646933	663961654	/nfs/dbraw/zinc/96/16/54/663961654.db2.gz	FYYWRFWCOZPIKY-HZSPNIEDSA-N	2	0	324.425	-1.136	20	0		DAADRP
O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000884560494	663964525	/nfs/dbraw/zinc/96/45/25/663964525.db2.gz	YTYQSYJMOSIEIB-RQJABVFESA-N	2	0	322.409	-1.071	20	0		DAADRP
O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000884560493	663964573	/nfs/dbraw/zinc/96/45/73/663964573.db2.gz	YTYQSYJMOSIEIB-RFQIPJPRSA-N	2	0	322.409	-1.071	20	0		DAADRP
C[NH+](C)CCN1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1	ZINC000884516225	663964884	/nfs/dbraw/zinc/96/48/84/663964884.db2.gz	FNYFQJQQRVHJOU-KBPBESRZSA-N	2	0	323.441	-1.299	20	0		DAADRP
O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000884560492	663965009	/nfs/dbraw/zinc/96/50/09/663965009.db2.gz	YTYQSYJMOSIEIB-CRWXNKLISA-N	2	0	322.409	-1.071	20	0		DAADRP
C[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C[NH+]1CCN(C)CC1	ZINC000884669619	663965494	/nfs/dbraw/zinc/96/54/94/663965494.db2.gz	BBEXXUFNLOEJKP-RDBSUJKOSA-N	2	0	323.441	-1.441	20	0		DAADRP
COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2	ZINC000884603715	663965564	/nfs/dbraw/zinc/96/55/64/663965564.db2.gz	PMYVCMRYMGSZRP-XQQFMLRXSA-N	2	0	310.398	-1.214	20	0		DAADRP
COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1	ZINC000884642916	663965807	/nfs/dbraw/zinc/96/58/07/663965807.db2.gz	SOWDPHZJFJTRGY-XQQFMLRXSA-N	2	0	310.398	-1.214	20	0		DAADRP
COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1	ZINC000884642678	663965953	/nfs/dbraw/zinc/96/59/53/663965953.db2.gz	OQECINMKCWNCPJ-WOSRLPQWSA-N	2	0	324.425	-1.109	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC[C@H]21	ZINC000884725396	663966386	/nfs/dbraw/zinc/96/63/86/663966386.db2.gz	IKWHWFYNKBGIJM-FRRDWIJNSA-N	2	0	310.398	-1.356	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)CC[C@@H]21	ZINC000884816200	663967844	/nfs/dbraw/zinc/96/78/44/663967844.db2.gz	WEYPVGBONSDKII-UPJWGTAASA-N	2	0	310.398	-1.356	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000884812753	663967889	/nfs/dbraw/zinc/96/78/89/663967889.db2.gz	ZIXXPUZPZCGXQQ-STQMWFEESA-N	2	0	312.414	-1.109	20	0		DAADRP
CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1	ZINC000926332054	663982031	/nfs/dbraw/zinc/98/20/31/663982031.db2.gz	HSRSWFUYPFOAGQ-DOMZBBRYSA-N	2	0	312.414	-1.291	20	0		DAADRP
O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000926335490	663982055	/nfs/dbraw/zinc/98/20/55/663982055.db2.gz	RSSHUROMIHEDLC-CYBMUJFWSA-N	2	0	309.414	-1.686	20	0		DAADRP
CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1	ZINC000926332057	663982258	/nfs/dbraw/zinc/98/22/58/663982258.db2.gz	HSRSWFUYPFOAGQ-WFASDCNBSA-N	2	0	312.414	-1.291	20	0		DAADRP
O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000926325205	663982269	/nfs/dbraw/zinc/98/22/69/663982269.db2.gz	GRXZTAQABUEOAD-AWEZNQCLSA-N	2	0	323.441	-1.296	20	0		DAADRP
[NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1	ZINC000926336643	663982502	/nfs/dbraw/zinc/98/25/02/663982502.db2.gz	ZBAGJSKSKKDDTK-IUODEOHRSA-N	2	0	310.398	-1.395	20	0		DAADRP
CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1	ZINC000926332055	663982661	/nfs/dbraw/zinc/98/26/61/663982661.db2.gz	HSRSWFUYPFOAGQ-IUODEOHRSA-N	2	0	312.414	-1.291	20	0		DAADRP
C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1	ZINC000926325478	663982777	/nfs/dbraw/zinc/98/27/77/663982777.db2.gz	MXDXQNZXBPIFFS-DOMZBBRYSA-N	2	0	312.414	-1.149	20	0		DAADRP
C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1	ZINC000926325482	663982877	/nfs/dbraw/zinc/98/28/77/663982877.db2.gz	MXDXQNZXBPIFFS-SWLSCSKDSA-N	2	0	312.414	-1.149	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C[C@@H]1[NH+](C)C	ZINC000926340255	663982902	/nfs/dbraw/zinc/98/29/02/663982902.db2.gz	FBJZTSYHNCFKAU-OLZOCXBDSA-N	2	0	311.430	-1.584	20	0		DAADRP
CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1	ZINC000926382271	663983648	/nfs/dbraw/zinc/98/36/48/663983648.db2.gz	IVKCKOCHUXHUIY-SWLSCSKDSA-N	2	0	312.414	-1.149	20	0		DAADRP
CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1	ZINC000926382268	663983767	/nfs/dbraw/zinc/98/37/67/663983767.db2.gz	IVKCKOCHUXHUIY-DOMZBBRYSA-N	2	0	312.414	-1.149	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C[C@H](C)N1C	ZINC000926410471	663984231	/nfs/dbraw/zinc/98/42/31/663984231.db2.gz	PHWUMTGLZMFXMW-BETUJISGSA-N	2	0	311.430	-1.441	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@]([NH3+])(CO)C3)CC[C@H]21	ZINC000926396551	663984275	/nfs/dbraw/zinc/98/42/75/663984275.db2.gz	MHNWWELLPFVLBC-XJKCOSOUSA-N	2	0	324.425	-1.149	20	0		DAADRP
C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2	ZINC000926440526	663984308	/nfs/dbraw/zinc/98/43/08/663984308.db2.gz	SAGICOQKJRMQHN-ZENOOKHLSA-N	2	0	324.425	-1.088	20	0		DAADRP
C[NH+](C)CCNC(=O)Cc1n[nH]cc1C(=O)NCC[NH+](C)C	ZINC000929161997	663988104	/nfs/dbraw/zinc/98/81/04/663988104.db2.gz	HADOPDWXCMLFHL-UHFFFAOYSA-N	2	0	310.402	-1.079	20	0		DAADRP
COCC[N@H+](C)C[C@@H](O)CN1CC[C@@H](CS(N)(=O)=O)C1	ZINC000932948810	664000214	/nfs/dbraw/zinc/00/02/14/664000214.db2.gz	UENMEBGYFPHALW-VXGBXAGGSA-N	2	0	309.432	-1.464	20	0		DAADRP
O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21	ZINC000962560198	664379089	/nfs/dbraw/zinc/37/90/89/664379089.db2.gz	ZJOKSVUIODPOHX-ZAZJYDDPSA-N	2	0	320.393	-1.066	20	0		DAADRP
C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)n1	ZINC001018861188	664590748	/nfs/dbraw/zinc/59/07/48/664590748.db2.gz	PWJIZUZLEXKRMP-NSHDSACASA-N	2	0	308.386	-1.266	20	0		DAADRP
NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC001019170085	664595418	/nfs/dbraw/zinc/59/54/18/664595418.db2.gz	ZSEGJUQYJDFQEW-XWAURUHHSA-N	2	0	308.382	-1.475	20	0		DAADRP
C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)n1	ZINC001020165168	664610227	/nfs/dbraw/zinc/61/02/27/664610227.db2.gz	MTIMIOOIISISFV-XYPYZODXSA-N	2	0	308.386	-1.220	20	0		DAADRP
C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CN(CCO)C[C@@H]2O)n1	ZINC001083470407	677722522	/nfs/dbraw/zinc/72/25/22/677722522.db2.gz	QBZYGZNAIZIFJG-OLZOCXBDSA-N	2	0	311.386	-1.788	20	0		DAADRP
C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O	ZINC000912992917	677820998	/nfs/dbraw/zinc/82/09/98/677820998.db2.gz	OIPQWUVENOYSGS-SLEUVZQESA-N	2	0	312.414	-1.103	20	0		DAADRP
Cc1ncc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)C2	ZINC001077682598	677873597	/nfs/dbraw/zinc/87/35/97/677873597.db2.gz	AZQDBTZUOAJRPH-MRVWCRGKSA-N	2	0	308.382	-1.092	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)C1	ZINC001043118581	678365754	/nfs/dbraw/zinc/36/57/54/678365754.db2.gz	HTVFOQBUFBUWGP-CYBMUJFWSA-N	2	0	324.425	-1.277	20	0		DAADRP
CC[C@H](C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1)[NH+](C)C	ZINC001043677074	678389327	/nfs/dbraw/zinc/38/93/27/678389327.db2.gz	FJXKTJXHQMDOAH-GFCCVEGCSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[NH+](C)CC(=O)N1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1	ZINC000900171084	678471447	/nfs/dbraw/zinc/47/14/47/678471447.db2.gz	GQPUFTZCIFPCBQ-SWLSCSKDSA-N	2	0	312.414	-1.326	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2c[nH]cn2)C1	ZINC001047183998	678501374	/nfs/dbraw/zinc/50/13/74/678501374.db2.gz	YOBPAHVDHQSRIH-UHFFFAOYSA-N	2	0	323.397	-1.018	20	0		DAADRP
NC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1	ZINC001048833456	678562436	/nfs/dbraw/zinc/56/24/36/678562436.db2.gz	ODGDADKOJXRSCC-XJFOESAGSA-N	2	0	322.409	-1.275	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1	ZINC001049215627	678577930	/nfs/dbraw/zinc/57/79/30/678577930.db2.gz	GRMPQBONULPPFL-MELADBBJSA-N	2	0	324.425	-1.170	20	0		DAADRP
C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1[NH2+]CC(N)=O	ZINC001054653741	678634164	/nfs/dbraw/zinc/63/41/64/678634164.db2.gz	FMQHBYSCFPWWHQ-YPMHNXCESA-N	2	0	322.413	-1.020	20	0		DAADRP
C[NH+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)C1CC1	ZINC001070209058	678859004	/nfs/dbraw/zinc/85/90/04/678859004.db2.gz	KQVSLCQMTIABIU-HZSPNIEDSA-N	2	0	322.413	-1.048	20	0		DAADRP
COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1	ZINC000390742998	678859875	/nfs/dbraw/zinc/85/98/75/678859875.db2.gz	SKENVBVSEAXIRW-KGLIPLIRSA-N	2	0	316.446	-1.288	20	0		DAADRP
O=C(N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)C12CC[NH+](CC1)C2	ZINC001070312216	678864568	/nfs/dbraw/zinc/86/45/68/678864568.db2.gz	DVPCQUNKRYCVRL-OLZOCXBDSA-N	2	0	320.397	-1.292	20	0		DAADRP
c1ncc(N2CCN3CC[NH2+]C[C@H]3C2)nc1N1CC[NH2+]CC1	ZINC001164399314	718834876	/nfs/dbraw/zinc/83/48/76/718834876.db2.gz	SOGGJUXTBFEAML-ZDUSSCGKSA-N	2	0	303.414	-1.020	20	0		DAADRP
C[NH+]1CCN(c2ccc(N3CCNC(=O)C34C[NH2+]C4)nn2)CC1	ZINC001164412770	718878083	/nfs/dbraw/zinc/87/80/83/718878083.db2.gz	YUJLWVSDKXOLDM-UHFFFAOYSA-N	2	0	317.397	-1.493	20	0		DAADRP
C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC(N)=O	ZINC001273910063	782222064	/nfs/dbraw/zinc/22/20/64/782222064.db2.gz	MDSQHQSAFSZLEH-MJKAUQOVSA-N	2	0	311.386	-1.074	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1	ZINC001202060223	782227263	/nfs/dbraw/zinc/22/72/63/782227263.db2.gz	VPWCFNZKPTXTIS-OLZOCXBDSA-N	2	0	312.414	-1.109	20	0		DAADRP
CC(=O)NCC[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2	ZINC001273999432	782256998	/nfs/dbraw/zinc/25/69/98/782256998.db2.gz	KIWZJNXCNJJCOO-HNNXBMFYSA-N	2	0	312.414	-1.013	20	0		DAADRP
O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O	ZINC001100109490	782553886	/nfs/dbraw/zinc/55/38/86/782553886.db2.gz	GFRSSZTXPCMORQ-UONOGXRCSA-N	2	0	315.414	-1.358	20	0		DAADRP
C[C@@H]([NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1)C(N)=O	ZINC001100870175	782586157	/nfs/dbraw/zinc/58/61/57/782586157.db2.gz	AQLLKYWTVDKYDP-VOMCLLRMSA-N	2	0	300.403	-1.077	20	0		DAADRP
C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21	ZINC001115119503	782642323	/nfs/dbraw/zinc/64/23/23/782642323.db2.gz	ZAQODRCYVQUMQC-VIKVFOODSA-N	2	0	324.425	-1.157	20	0		DAADRP
COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C	ZINC001115125861	782643840	/nfs/dbraw/zinc/64/38/40/782643840.db2.gz	DBDKWRGMPJZVRB-CXTNEJHOSA-N	2	0	315.414	-1.382	20	0		DAADRP
CN(CCN1CC[NH2+]CC1)C(=O)c1cn(CCCC[NH3+])nn1	ZINC001118261259	782710829	/nfs/dbraw/zinc/71/08/29/782710829.db2.gz	VJGXOXKMGGORSM-UHFFFAOYSA-N	2	0	309.418	-1.006	20	0		DAADRP
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1	ZINC001118388537	782718069	/nfs/dbraw/zinc/71/80/69/782718069.db2.gz	BLTGNSCENXDTQJ-FRRDWIJNSA-N	2	0	312.414	-1.063	20	0		DAADRP
OC[C@H]1CC[N@H+](C/C=C\C[NH+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O	ZINC001118558121	782726620	/nfs/dbraw/zinc/72/66/20/782726620.db2.gz	MXNVHSYDYSENPA-UYRVCGCOSA-N	2	0	314.426	-1.107	20	0		DAADRP
[NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCOCC1	ZINC001118865589	782735741	/nfs/dbraw/zinc/73/57/41/782735741.db2.gz	OTUMLLDLMLRVBK-LLVKDONJSA-N	2	0	310.398	-1.037	20	0		DAADRP
C[C@H](NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C1=CC[N@H+](C)CC1	ZINC001118867640	782737082	/nfs/dbraw/zinc/73/70/82/782737082.db2.gz	NBEBNMSKGRQVLW-WCQYABFASA-N	2	0	310.398	-1.142	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+]	ZINC001119351907	782752741	/nfs/dbraw/zinc/75/27/41/782752741.db2.gz	MEVBEJGUUBDNIS-STQMWFEESA-N	2	0	311.430	-1.312	20	0		DAADRP
COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1	ZINC001119417678	782752864	/nfs/dbraw/zinc/75/28/64/782752864.db2.gz	SOZNMKYGOOOSJU-HAQNSBGRSA-N	2	0	300.403	-1.076	20	0		DAADRP
NC(=O)C[N@H+](CCO)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1	ZINC001098534815	775144971	/nfs/dbraw/zinc/14/49/71/775144971.db2.gz	HLDOUMOGBLZSCZ-UHFFFAOYSA-N	2	0	324.425	-1.147	20	0		DAADRP
C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1	ZINC001266547311	775154926	/nfs/dbraw/zinc/15/49/26/775154926.db2.gz	OSHWPYZLKOUFDM-NSHDSACASA-N	2	0	311.386	-1.320	20	0		DAADRP
CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CN(C)CCO1	ZINC001266666799	775168831	/nfs/dbraw/zinc/16/88/31/775168831.db2.gz	DRIZJUJZIQWFSE-VIFPVBQESA-N	2	0	301.347	-2.440	20	0		DAADRP
COCCOC[C@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1	ZINC000300284164	775172324	/nfs/dbraw/zinc/17/23/24/775172324.db2.gz	NKZLXVUHRSYFND-QWHCGFSZSA-N	2	0	303.403	-1.203	20	0		DAADRP
CN(CC[NH2+]CCNS(C)(=O)=O)C(=O)C[C@H]1CC[N@H+](C)C1	ZINC001266989156	775192312	/nfs/dbraw/zinc/19/23/12/775192312.db2.gz	UDFDVGGQFCQLLK-GFCCVEGCSA-N	2	0	320.459	-1.075	20	0		DAADRP
C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCN1C(=O)CNC1=O	ZINC001266985801	775193620	/nfs/dbraw/zinc/19/36/20/775193620.db2.gz	QECOMYRQRDXXAL-NSHDSACASA-N	2	0	323.397	-1.272	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH+](CCO)CC(N)=O)CC2)C1	ZINC001098561205	775197753	/nfs/dbraw/zinc/19/77/53/775197753.db2.gz	WUGAMAVCAXXOBV-GFCCVEGCSA-N	2	0	312.414	-1.291	20	0		DAADRP
CN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001267457063	775240840	/nfs/dbraw/zinc/24/08/40/775240840.db2.gz	RGYQOSDZOGJRBY-LLVKDONJSA-N	2	0	308.382	-1.065	20	0		DAADRP
O=C(CCN1CCOCC1)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21	ZINC001114979615	775326634	/nfs/dbraw/zinc/32/66/34/775326634.db2.gz	AKDHUAATJFZTIV-COMQUAJESA-N	2	0	322.409	-1.356	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C	ZINC001268398395	775380156	/nfs/dbraw/zinc/38/01/56/775380156.db2.gz	YYOIRFOUQFRJEE-JTQLQIEISA-N	2	0	301.391	-1.122	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001268576334	775400565	/nfs/dbraw/zinc/40/05/65/775400565.db2.gz	UUXDZUWGWMRUFC-DLRQAJBASA-N	2	0	311.386	-1.202	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O	ZINC001268580661	775401994	/nfs/dbraw/zinc/40/19/94/775401994.db2.gz	ZXSKUGSORUJGOO-UFFNRZRYSA-N	2	0	311.386	-1.072	20	0		DAADRP
C[C@H]([NH2+]CCCN(C)C(=O)CC[NH+](C)C)C(=O)NC(N)=O	ZINC001268835670	775426007	/nfs/dbraw/zinc/42/60/07/775426007.db2.gz	JVUIRTCGUCPQAM-JTQLQIEISA-N	2	0	301.391	-1.040	20	0		DAADRP
Cc1nc[nH]c1CC(=O)N(CCO)CC[NH2+]Cc1cnnn1C	ZINC001279893440	775428180	/nfs/dbraw/zinc/42/81/80/775428180.db2.gz	TUYLVBSJKNMUTI-UHFFFAOYSA-N	2	0	321.385	-1.000	20	0		DAADRP
CN(CC(=O)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C)C(N)=[NH2+]	ZINC001268997119	775433842	/nfs/dbraw/zinc/43/38/42/775433842.db2.gz	VLNQCDGWLLBAQZ-NEPJUHHUSA-N	2	0	312.418	-1.715	20	0		DAADRP
CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)C2	ZINC001272273561	775568157	/nfs/dbraw/zinc/56/81/57/775568157.db2.gz	QNKSHLSAHOZLPH-RFGFWPKPSA-N	2	0	324.425	-1.328	20	0		DAADRP
C[NH+](C)C1CCC([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1	ZINC001168300295	775648888	/nfs/dbraw/zinc/64/88/88/775648888.db2.gz	STQBYZDKTDBTSF-UXGMPZPXSA-N	2	0	304.387	-1.751	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1	ZINC001127254193	775763587	/nfs/dbraw/zinc/76/35/87/775763587.db2.gz	CZMFZHJMTJNNLU-WDEREUQCSA-N	2	0	311.386	-1.239	20	0		DAADRP
C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CC(N)=O	ZINC001106878682	775800741	/nfs/dbraw/zinc/80/07/41/775800741.db2.gz	XITJXMFWAUPIOQ-VXGBXAGGSA-N	2	0	300.403	-1.266	20	0		DAADRP
C[C@@H]([NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)NC(N)=O	ZINC001127466493	775807298	/nfs/dbraw/zinc/80/72/98/775807298.db2.gz	OPSKBEVJEQTDPF-KOLCDFICSA-N	2	0	311.386	-1.383	20	0		DAADRP
CN1CC[C@@H]([NH2+]CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1=O	ZINC001127562055	775812753	/nfs/dbraw/zinc/81/27/53/775812753.db2.gz	ANXYEPBCUZTEQW-CYBMUJFWSA-N	2	0	322.413	-1.005	20	0		DAADRP
C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+]CC(N)=O)CC1	ZINC001127570696	775813940	/nfs/dbraw/zinc/81/39/40/775813940.db2.gz	CPHMZCRPYJJEGZ-OCCSQVGLSA-N	2	0	312.414	-1.076	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CC[N@@H+]1C	ZINC001127643901	775818940	/nfs/dbraw/zinc/81/89/40/775818940.db2.gz	QOTBPCKGUNUYGX-GHMZBOCLSA-N	2	0	311.386	-1.416	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001127691048	775824064	/nfs/dbraw/zinc/82/40/64/775824064.db2.gz	ZEKBNNVMMFRBMQ-GHMZBOCLSA-N	2	0	313.402	-1.122	20	0		DAADRP
CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC)CC[N@@H+]1C	ZINC001127695720	775825487	/nfs/dbraw/zinc/82/54/87/775825487.db2.gz	VBBUJMHFEQGZDB-WDEREUQCSA-N	2	0	313.402	-1.122	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O	ZINC001124879395	775831911	/nfs/dbraw/zinc/83/19/11/775831911.db2.gz	SQSFVPHQSBTSJJ-NSHDSACASA-N	2	0	311.386	-1.272	20	0		DAADRP
CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C	ZINC001124879783	775832959	/nfs/dbraw/zinc/83/29/59/775832959.db2.gz	ZPJOCKVXIRFFEG-CYBMUJFWSA-N	2	0	300.403	-1.061	20	0		DAADRP
COC(=O)[C@@H](NS(=O)(=O)[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1	ZINC001238705877	775854794	/nfs/dbraw/zinc/85/47/94/775854794.db2.gz	DQXWYZNRMNPUJL-QWRGUYRKSA-N	2	0	305.400	-1.191	20	0		DAADRP
O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CC1	ZINC001127777786	775861407	/nfs/dbraw/zinc/86/14/07/775861407.db2.gz	BQNARQAIKAHUHT-OLZOCXBDSA-N	2	0	310.398	-1.166	20	0		DAADRP
O=C(C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC1	ZINC001127779326	775863605	/nfs/dbraw/zinc/86/36/05/775863605.db2.gz	LGPWOCAJQIEOQF-QWHCGFSZSA-N	2	0	310.398	-1.212	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001127779162	775863707	/nfs/dbraw/zinc/86/37/07/775863707.db2.gz	JQTBKRCDYOEFJI-ZJUUUORDSA-N	2	0	313.358	-2.250	20	0		DAADRP
CS(=O)(=O)CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001127780056	775864710	/nfs/dbraw/zinc/86/47/10/775864710.db2.gz	VERDFCOPPCSHMB-RYUDHWBXSA-N	2	0	319.427	-1.400	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001127779161	775864967	/nfs/dbraw/zinc/86/49/67/775864967.db2.gz	JQTBKRCDYOEFJI-VHSXEESVSA-N	2	0	313.358	-2.250	20	0		DAADRP
CNC(=O)c1ccc(S(=O)(=O)N(CC[NH3+])CC[NH3+])cc1	ZINC001239097149	775869667	/nfs/dbraw/zinc/86/96/67/775869667.db2.gz	PLFYFPUPBDSUFG-UHFFFAOYSA-N	2	0	300.384	-1.046	20	0		DAADRP
CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O	ZINC001128552132	775984584	/nfs/dbraw/zinc/98/45/84/775984584.db2.gz	KPHLGFOJJLTLJL-VHSXEESVSA-N	2	0	319.381	-1.045	20	0		DAADRP
CN1CC[NH+](CCC(=O)NCCN(CC[NH3+])N(O)N=O)CC1	ZINC001143237672	776052923	/nfs/dbraw/zinc/05/29/23/776052923.db2.gz	PRABPTJINVGMEG-UHFFFAOYSA-N	2	0	317.394	-1.712	20	0		DAADRP
C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1	ZINC001129228592	776055043	/nfs/dbraw/zinc/05/50/43/776055043.db2.gz	YWADSNABLTWQIQ-UPJWGTAASA-N	2	0	310.402	-1.048	20	0		DAADRP
CN(c1cnc(O[C@H]2CC[NH2+]C2)nc1)S(=O)(=O)CC[NH3+]	ZINC001164296660	776116006	/nfs/dbraw/zinc/11/60/06/776116006.db2.gz	KAPFIBJGHGAKEB-JTQLQIEISA-N	2	0	301.372	-1.058	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O	ZINC001081732128	776116703	/nfs/dbraw/zinc/11/67/03/776116703.db2.gz	CZDDFIXHQQSHPK-CHWSQXEVSA-N	2	0	314.430	-1.175	20	0		DAADRP
CNC(=O)CN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1	ZINC001099969127	776207482	/nfs/dbraw/zinc/20/74/82/776207482.db2.gz	GOUMIJSKHOMCJG-RYUDHWBXSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O	ZINC001100041279	776250697	/nfs/dbraw/zinc/25/06/97/776250697.db2.gz	GVMXDBGDBPEVSC-UONOGXRCSA-N	2	0	317.430	-1.112	20	0		DAADRP
CN1CCO[C@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)C1	ZINC001156146447	776273684	/nfs/dbraw/zinc/27/36/84/776273684.db2.gz	YXHOJGYXYNDROR-LBPRGKRZSA-N	2	0	313.402	-1.562	20	0		DAADRP
CN1CCO[C@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)C1	ZINC001156145471	776273863	/nfs/dbraw/zinc/27/38/63/776273863.db2.gz	LGCFQSKWMDWQAE-NSHDSACASA-N	2	0	307.416	-1.543	20	0		DAADRP
C[NH+]1CCC(NC(=O)c2ccc(-n3nnnc3C[NH3+])nn2)CC1	ZINC001168920561	776281949	/nfs/dbraw/zinc/28/19/49/776281949.db2.gz	IKUNBVNIFYRUTE-UHFFFAOYSA-N	2	0	317.357	-1.265	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CCC(=O)OC	ZINC001157323511	776380402	/nfs/dbraw/zinc/38/04/02/776380402.db2.gz	STDFEOQKLSRGRQ-UWVGGRQHSA-N	2	0	302.375	-1.373	20	0		DAADRP
C[NH+](C)[C@H](C(=O)NCC[NH2+]CC(=O)N1CCOCC1)C1CC1	ZINC001129436472	776470835	/nfs/dbraw/zinc/47/08/35/776470835.db2.gz	PKYMFIPVBIRPHB-AWEZNQCLSA-N	2	0	312.414	-1.109	20	0		DAADRP
CN(CC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)S(C)(=O)=O	ZINC001129437404	776471288	/nfs/dbraw/zinc/47/12/88/776471288.db2.gz	ZXNUMHMUPAVDEU-GFCCVEGCSA-N	2	0	320.459	-1.076	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C	ZINC001129946987	776488322	/nfs/dbraw/zinc/48/83/22/776488322.db2.gz	DFMXTIUNAKXRSG-NSHDSACASA-N	2	0	301.391	-1.266	20	0		DAADRP
C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1	ZINC001129994399	776489765	/nfs/dbraw/zinc/48/97/65/776489765.db2.gz	LTHRNVRQFNAUIF-OLZOCXBDSA-N	2	0	310.402	-1.046	20	0		DAADRP
CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1	ZINC001130081202	776492252	/nfs/dbraw/zinc/49/22/52/776492252.db2.gz	CXCSYVQFFXADBZ-NEPJUHHUSA-N	2	0	323.401	-1.553	20	0		DAADRP
CNC(=O)C[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1	ZINC001130230425	776498958	/nfs/dbraw/zinc/49/89/58/776498958.db2.gz	KZEAKTOOPYGFTB-UHFFFAOYSA-N	2	0	300.403	-1.203	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H](O)[C@H](CO)C1	ZINC001157936533	776499505	/nfs/dbraw/zinc/49/95/05/776499505.db2.gz	HBRZINRVUAEINF-WCFLWFBJSA-N	2	0	300.403	-2.062	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCNCC(F)(F)C1	ZINC001157944672	776504219	/nfs/dbraw/zinc/50/42/19/776504219.db2.gz	JXQXMUQZROYNAY-LLVKDONJSA-N	2	0	305.373	-1.196	20	0		DAADRP
CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H]([NH3+])CSCC[NH3+]	ZINC001158005635	776519624	/nfs/dbraw/zinc/51/96/24/776519624.db2.gz	AIGLHHMDITYOIC-VHSXEESVSA-N	2	0	304.416	-1.631	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2	ZINC001130805711	776533849	/nfs/dbraw/zinc/53/38/49/776533849.db2.gz	JJQHEGLRZIRWBE-UHFFFAOYSA-N	2	0	311.386	-1.224	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131521948	776572130	/nfs/dbraw/zinc/57/21/30/776572130.db2.gz	MVGFVRMJBANBEG-AKUZOMFGSA-N	2	0	310.398	-1.310	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131521951	776572419	/nfs/dbraw/zinc/57/24/19/776572419.db2.gz	MVGFVRMJBANBEG-NGWKBDRKSA-N	2	0	310.398	-1.310	20	0		DAADRP
O=C(NCC[NH2+]CCOCCO)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131519298	776575252	/nfs/dbraw/zinc/57/52/52/776575252.db2.gz	CSYSHRVKGYVXOC-JVWICGRDSA-N	2	0	313.398	-1.436	20	0		DAADRP
CS(=O)(=O)c1nc2c(c(-n3nncc3C[NH3+])n1)CC[NH2+]CC2	ZINC001158420776	776576403	/nfs/dbraw/zinc/57/64/03/776576403.db2.gz	ZTNAARCKNIBYQD-UHFFFAOYSA-N	2	0	323.382	-1.392	20	0		DAADRP
[NH3+]CCOCCOCC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3	ZINC001158532966	776600902	/nfs/dbraw/zinc/60/09/02/776600902.db2.gz	GBRHZFTUSRFXSO-UMVBOHGHSA-N	2	0	313.398	-1.042	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1	ZINC001100185686	776622399	/nfs/dbraw/zinc/62/23/99/776622399.db2.gz	KQUCPNHYIWSVFY-ILDUYXDCSA-N	2	0	311.386	-1.240	20	0		DAADRP
C[NH+](C)Cc1ccoc1C(=O)NCC[NH2+]CC(=O)NC(N)=O	ZINC001132983622	776649407	/nfs/dbraw/zinc/64/94/07/776649407.db2.gz	FDZQGSQQZGRXAQ-UHFFFAOYSA-N	2	0	311.342	-1.145	20	0		DAADRP
CN(CC[NH2+]CCNC(=O)C1CC[NH+](C)CC1)S(C)(=O)=O	ZINC001133286975	776663073	/nfs/dbraw/zinc/66/30/73/776663073.db2.gz	AOEZNKRRNAJCBF-UHFFFAOYSA-N	2	0	320.459	-1.075	20	0		DAADRP
CCS(=O)(=O)NCCC[NH2+]CCNC(=O)CC[NH+](C)C	ZINC001133297986	776665771	/nfs/dbraw/zinc/66/57/71/776665771.db2.gz	WFRNTNGAYVTKBM-UHFFFAOYSA-N	2	0	308.448	-1.027	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C	ZINC001133415560	776667566	/nfs/dbraw/zinc/66/75/66/776667566.db2.gz	DFMXTIUNAKXRSG-LLVKDONJSA-N	2	0	301.391	-1.266	20	0		DAADRP
C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CCNS(C)(=O)=O	ZINC001133823972	776678283	/nfs/dbraw/zinc/67/82/83/776678283.db2.gz	USFQIGUPOZTNPN-LLVKDONJSA-N	2	0	306.432	-1.274	20	0		DAADRP
C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O	ZINC001133871216	776680505	/nfs/dbraw/zinc/68/05/05/776680505.db2.gz	YQALWLFKYFHNBQ-VXGBXAGGSA-N	2	0	320.459	-1.219	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C	ZINC001133870631	776680871	/nfs/dbraw/zinc/68/08/71/776680871.db2.gz	UZERSURZBFOFCZ-MNOVXSKESA-N	2	0	313.402	-1.264	20	0		DAADRP
C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O	ZINC001133871213	776680924	/nfs/dbraw/zinc/68/09/24/776680924.db2.gz	YQALWLFKYFHNBQ-NEPJUHHUSA-N	2	0	320.459	-1.219	20	0		DAADRP
C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O	ZINC001133863510	776681272	/nfs/dbraw/zinc/68/12/72/776681272.db2.gz	MXQYEVXIZWYRSV-MNOVXSKESA-N	2	0	311.386	-1.558	20	0		DAADRP
C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O	ZINC001133862645	776681366	/nfs/dbraw/zinc/68/13/66/776681366.db2.gz	DYGJOPVMNOXIIS-MNOVXSKESA-N	2	0	306.432	-1.561	20	0		DAADRP
C[N@H+](CC(=O)NCC[NH2+]CC(=O)NC(N)=O)CC(C)(C)C	ZINC001133899331	776682947	/nfs/dbraw/zinc/68/29/47/776682947.db2.gz	CHKNPDVDPVMNAX-UHFFFAOYSA-N	2	0	301.391	-1.135	20	0		DAADRP
CC[NH+](CC)C[C@H](F)C(=O)NCCC[NH2+]CC(=O)NC(N)=O	ZINC001159148366	776697441	/nfs/dbraw/zinc/69/74/41/776697441.db2.gz	DPXFJDZDHAJUSN-JTQLQIEISA-N	2	0	319.381	-1.043	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1	ZINC001134780348	776723601	/nfs/dbraw/zinc/72/36/01/776723601.db2.gz	BPAZQXBGLICSKG-UHFFFAOYSA-N	2	0	313.402	-1.120	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21	ZINC001135095969	776734704	/nfs/dbraw/zinc/73/47/04/776734704.db2.gz	YCEKHCODLVJXOD-QWRGUYRKSA-N	2	0	311.386	-1.096	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21	ZINC001135095968	776734773	/nfs/dbraw/zinc/73/47/73/776734773.db2.gz	YCEKHCODLVJXOD-MNOVXSKESA-N	2	0	311.386	-1.096	20	0		DAADRP
COC[C@@H](O)C[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1	ZINC001135119277	776737241	/nfs/dbraw/zinc/73/72/41/776737241.db2.gz	ZBFGEXVMDQEQKH-ZDUSSCGKSA-N	2	0	313.402	-1.229	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1	ZINC001135118443	776737636	/nfs/dbraw/zinc/73/76/36/776737636.db2.gz	MXBDREFQQNMLDJ-LLVKDONJSA-N	2	0	310.402	-1.101	20	0		DAADRP
CC[NH+](CC)CC(=O)NCC[NH2+]CCNS(=O)(=O)CC	ZINC001135513697	776759883	/nfs/dbraw/zinc/75/98/83/776759883.db2.gz	VAXTVHOEENXBAV-UHFFFAOYSA-N	2	0	308.448	-1.027	20	0		DAADRP
CC[NH+](CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC	ZINC001135513806	776760522	/nfs/dbraw/zinc/76/05/22/776760522.db2.gz	ZFVOHWZZTNOXKP-JTQLQIEISA-N	2	0	301.391	-1.122	20	0		DAADRP
CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)N1CCOCC1	ZINC001135510644	776760546	/nfs/dbraw/zinc/76/05/46/776760546.db2.gz	DHBKPPHDBTVBGJ-UHFFFAOYSA-N	2	0	300.403	-1.107	20	0		DAADRP
CC1CC[NH+](CC(=O)NCC[NH2+]CCNS(C)(=O)=O)CC1	ZINC001135702732	776768785	/nfs/dbraw/zinc/76/87/85/776768785.db2.gz	POIYSFVILZEFPV-UHFFFAOYSA-N	2	0	320.459	-1.027	20	0		DAADRP
CCOC(=O)C[C@H](O)CN(CCC[NH3+])CC(=O)NCCC[NH3+]	ZINC001246050404	776785275	/nfs/dbraw/zinc/78/52/75/776785275.db2.gz	DSIWJTVWIBKIFL-LBPRGKRZSA-N	2	0	318.418	-1.584	20	0		DAADRP
O=S(=O)(CC[NH2+][C@H]1CCOC2(C[NH2+]C2)C1)N1CCNCC1	ZINC001246098321	776788573	/nfs/dbraw/zinc/78/85/73/776788573.db2.gz	AJSSAKSCTYJUJQ-LBPRGKRZSA-N	2	0	318.443	-1.668	20	0		DAADRP
O=C([C@@H]1C[C@H](NC[C@@H]2COCC[NH2+]2)C[NH2+]1)N1CCSC1	ZINC001246278692	776831659	/nfs/dbraw/zinc/83/16/59/776831659.db2.gz	MAAZHEKVENDXBP-TUAOUCFPSA-N	2	0	300.428	-1.172	20	0		DAADRP
O=C([C@@H]1C[C@@H](NC[C@H]2COCC[NH2+]2)C[NH2+]1)N1CCSC1	ZINC001246278694	776833529	/nfs/dbraw/zinc/83/35/29/776833529.db2.gz	MAAZHEKVENDXBP-WOPDTQHZSA-N	2	0	300.428	-1.172	20	0		DAADRP
CC[NH+]1CCN(CCC[NH2+]Cc2cn(CC(N)=O)nn2)CC1	ZINC001308197304	778103404	/nfs/dbraw/zinc/10/34/04/778103404.db2.gz	KVJJNVFJMHMWIN-UHFFFAOYSA-N	2	0	309.418	-1.119	20	0		DAADRP
CN1CC[NH+](CCCCNC(=O)C(=O)NCC2([NH3+])CC2)CC1	ZINC001120420443	779519780	/nfs/dbraw/zinc/51/97/80/779519780.db2.gz	KMFHHYLGLDXDRF-UHFFFAOYSA-N	2	0	311.430	-1.262	20	0		DAADRP
[NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1	ZINC001120420645	779520631	/nfs/dbraw/zinc/52/06/31/779520631.db2.gz	MVWOZBRVBFNRSY-ZDEQEGDKSA-N	2	0	310.398	-1.181	20	0		DAADRP
CCS(=O)(=O)NCCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1	ZINC001120487559	779523411	/nfs/dbraw/zinc/52/34/11/779523411.db2.gz	AMTISUXUYXYIMB-CYBMUJFWSA-N	2	0	322.475	-1.486	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1	ZINC001120514987	779523596	/nfs/dbraw/zinc/52/35/96/779523596.db2.gz	MBGXGEVKWUQCCG-CHWSQXEVSA-N	2	0	311.430	-1.454	20	0		DAADRP
C[C@H]1CN(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CCO1	ZINC001120573946	779526125	/nfs/dbraw/zinc/52/61/25/779526125.db2.gz	JPZPAAOPWHMRHA-LSDHHAIUSA-N	2	0	300.447	-1.095	20	0		DAADRP
CN1CC[NH2+]C[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC001121916387	779552210	/nfs/dbraw/zinc/55/22/10/779552210.db2.gz	XJNLVCNXVWGUOQ-QWHCGFSZSA-N	2	0	311.430	-1.406	20	0		DAADRP
CN1CC[NH2+]C[C@H]1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC001121916388	779552246	/nfs/dbraw/zinc/55/22/46/779552246.db2.gz	XJNLVCNXVWGUOQ-STQMWFEESA-N	2	0	311.430	-1.406	20	0		DAADRP
CN1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@H+](C)CC1	ZINC001122376649	779563377	/nfs/dbraw/zinc/56/33/77/779563377.db2.gz	DOEIWDLYDGPCLH-CYBMUJFWSA-N	2	0	311.430	-1.440	20	0		DAADRP
CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001151048997	779669433	/nfs/dbraw/zinc/66/94/33/779669433.db2.gz	GNNDBMRHOSMKLX-LLVKDONJSA-N	2	0	313.402	-1.120	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)C1	ZINC001151048507	779669505	/nfs/dbraw/zinc/66/95/05/779669505.db2.gz	BXBCBNNUDGAGDA-LBPRGKRZSA-N	2	0	312.414	-1.061	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001151064688	779670414	/nfs/dbraw/zinc/67/04/14/779670414.db2.gz	CZDPLANQOBDEEM-NSHDSACASA-N	2	0	306.432	-1.417	20	0		DAADRP
CN(CC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)S(C)(=O)=O	ZINC001151056374	779671344	/nfs/dbraw/zinc/67/13/44/779671344.db2.gz	MJJNWZXMAKPKBT-LLVKDONJSA-N	2	0	306.432	-1.465	20	0		DAADRP
Cn1c(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)cc(=O)n(C)c1=O	ZINC001151073105	779671377	/nfs/dbraw/zinc/67/13/77/779671377.db2.gz	GBSZHHVPZYCOII-LLVKDONJSA-N	2	0	323.397	-1.759	20	0		DAADRP
CN(CC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)S(C)(=O)=O	ZINC001151056375	779671532	/nfs/dbraw/zinc/67/15/32/779671532.db2.gz	MJJNWZXMAKPKBT-NSHDSACASA-N	2	0	306.432	-1.465	20	0		DAADRP
CCOCCNC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1	ZINC001151114217	779671714	/nfs/dbraw/zinc/67/17/14/779671714.db2.gz	FSLBIHQHIHZHKL-UHFFFAOYSA-N	2	0	300.403	-1.059	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]Cc1cnnn1C	ZINC001151156475	779672318	/nfs/dbraw/zinc/67/23/18/779672318.db2.gz	DHLFMULMIJXXFJ-LBPRGKRZSA-N	2	0	310.402	-1.011	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)N(C)C	ZINC001151159365	779672536	/nfs/dbraw/zinc/67/25/36/779672536.db2.gz	SNIADXCFFPQZHC-GFCCVEGCSA-N	2	0	300.403	-1.251	20	0		DAADRP
CC[C@H]([NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(N)=O	ZINC001151156745	779672574	/nfs/dbraw/zinc/67/25/74/779672574.db2.gz	GTCNBYDDEIYYFL-RYUDHWBXSA-N	2	0	300.403	-1.076	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O	ZINC001151159276	779673057	/nfs/dbraw/zinc/67/30/57/779673057.db2.gz	RIGAUUQHGTVQCV-QWHCGFSZSA-N	2	0	312.414	-1.109	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@@H]1CCCNC1=O	ZINC001151157370	779673228	/nfs/dbraw/zinc/67/32/28/779673228.db2.gz	KQGBCIMICBEUJB-CHWSQXEVSA-N	2	0	312.414	-1.061	20	0		DAADRP
CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1	ZINC001151159470	779673256	/nfs/dbraw/zinc/67/32/56/779673256.db2.gz	UCYOLIABUVTNQQ-GFCCVEGCSA-N	2	0	300.403	-1.203	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@H]1CCCNC1=O	ZINC001151157380	779673425	/nfs/dbraw/zinc/67/34/25/779673425.db2.gz	KQGBCIMICBEUJB-STQMWFEESA-N	2	0	312.414	-1.061	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1	ZINC001151159258	779673512	/nfs/dbraw/zinc/67/35/12/779673512.db2.gz	RFKMHGXTACDWPG-NWDGAFQWSA-N	2	0	300.403	-1.205	20	0		DAADRP
CC[C@H]([NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1)C(N)=O	ZINC001151156740	779673574	/nfs/dbraw/zinc/67/35/74/779673574.db2.gz	GTCNBYDDEIYYFL-NEPJUHHUSA-N	2	0	300.403	-1.076	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1	ZINC001152439408	779693279	/nfs/dbraw/zinc/69/32/79/779693279.db2.gz	KSSCHPZXRAWBAY-UHFFFAOYSA-N	2	0	313.402	-2.009	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O	ZINC001155813031	779736050	/nfs/dbraw/zinc/73/60/50/779736050.db2.gz	QVLCGVXAQQFQGH-LLVKDONJSA-N	2	0	311.386	-1.272	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001157323079	779751696	/nfs/dbraw/zinc/75/16/96/779751696.db2.gz	LIOKMRNTGFZHPU-TYNCELHUSA-N	3	0	311.430	-1.455	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1NC(=O)CC12C[NH2+]C2	ZINC001157323080	779751880	/nfs/dbraw/zinc/75/18/80/779751880.db2.gz	LKWSXAHJBVBGHI-GXSJLCMTSA-N	2	0	311.386	-2.176	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CSCC[NH3+]	ZINC001157337899	779751943	/nfs/dbraw/zinc/75/19/43/779751943.db2.gz	YLTRBOSQNNJNBJ-UWVGGRQHSA-N	3	0	305.448	-1.635	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)COCCOCC[NH3+]	ZINC001157323545	779752646	/nfs/dbraw/zinc/75/26/46/779752646.db2.gz	JQOWYJZNPULIGZ-NSHDSACASA-N	2	0	304.391	-1.662	20	0		DAADRP
[NH3+]CCCC[C@H](NC(=O)C[C@@H](O)C[NH3+])C(=O)N1CCCC1	ZINC001157369164	779752998	/nfs/dbraw/zinc/75/29/98/779752998.db2.gz	QBXCPFWZIPHOPA-NEPJUHHUSA-N	2	0	300.403	-1.068	20	0		DAADRP
C[C@]([NH3+])(CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1	ZINC001157369116	779753019	/nfs/dbraw/zinc/75/30/19/779753019.db2.gz	NYXOJLBTOHKMOG-FZMZJTMJSA-N	2	0	300.403	-1.068	20	0		DAADRP
N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1	ZINC001157379872	779753272	/nfs/dbraw/zinc/75/32/72/779753272.db2.gz	QKUVLZYLAMRZNC-AVGNSLFASA-N	2	0	311.430	-1.231	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@H](C[NH3+])[C@H]1C	ZINC001157846345	779759004	/nfs/dbraw/zinc/75/90/04/779759004.db2.gz	HCJWHZCLPUGTLJ-VLEAKVRGSA-N	2	0	313.402	-1.720	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@H](C[NH3+])[C@@H]1C	ZINC001157846344	779759053	/nfs/dbraw/zinc/75/90/53/779759053.db2.gz	HCJWHZCLPUGTLJ-NAKRPEOUSA-N	2	0	313.402	-1.720	20	0		DAADRP
[NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1	ZINC001157739816	779759228	/nfs/dbraw/zinc/75/92/28/779759228.db2.gz	KAKNILPXMSZQHT-WCQYABFASA-N	2	0	300.378	-1.004	20	0		DAADRP
C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)CN(CC[NH3+])S(C)(=O)=O	ZINC001157841532	779759378	/nfs/dbraw/zinc/75/93/78/779759378.db2.gz	GKZNBFDRSBLTPW-WDEREUQCSA-N	2	0	306.432	-1.208	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1)C(N)=O	ZINC001157810296	779759454	/nfs/dbraw/zinc/75/94/54/779759454.db2.gz	LEUOBFJOKYTMLQ-VPOLOUISSA-N	2	0	313.402	-1.720	20	0		DAADRP
O=C(N1CC(=O)N(C2CC2)C(=O)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001157854010	779760096	/nfs/dbraw/zinc/76/00/96/779760096.db2.gz	WTWKTZUZQWRMKE-MEBBXXQBSA-N	2	0	306.366	-1.455	20	0		DAADRP
CCOC(=O)[C@@H]1CNCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001157998811	779764589	/nfs/dbraw/zinc/76/45/89/779764589.db2.gz	IDEIBGCSPDFFQN-TYNCELHUSA-N	2	0	310.398	-1.451	20	0		DAADRP
O=C([C@@H]1CC[C@@]2(C1)C[NH2+]CCO2)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158091699	779765281	/nfs/dbraw/zinc/76/52/81/779765281.db2.gz	HAVWDTVTUDARQC-UHOFOFEASA-N	2	0	322.409	-1.164	20	0		DAADRP
O=C([C@H]1NC(=O)CC12C[NH2+]C2)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158091822	779765371	/nfs/dbraw/zinc/76/53/71/779765371.db2.gz	IBQCACGUENPMDW-RISCZKNCSA-N	2	0	307.354	-2.845	20	0		DAADRP
[NH3+][C@@H](Cc1cccc(O)c1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158092175	779765412	/nfs/dbraw/zinc/76/54/12/779765412.db2.gz	LRHAJWGTCKMXNI-XJKSGUPXSA-N	2	0	318.377	-1.048	20	0		DAADRP
NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158091457	779765503	/nfs/dbraw/zinc/76/55/03/779765503.db2.gz	CMKYJSPXHGZHCZ-RNCFNFMXSA-N	2	0	312.374	-2.547	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC2(CC([NH3+])C2)CC1	ZINC001158082818	779765548	/nfs/dbraw/zinc/76/55/48/779765548.db2.gz	SNXBEMGLSREPIM-UHFFFAOYSA-N	2	0	318.443	-1.063	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCOC2(CC[NH2+]CC2)C1	ZINC001158076570	779765620	/nfs/dbraw/zinc/76/56/20/779765620.db2.gz	JXHCKIWXFJTJHE-LBPRGKRZSA-N	2	0	310.398	-1.164	20	0		DAADRP
[NH3+]CCOCCOCC(=O)N1CCOC2(CC[NH2+]CC2)C1	ZINC001158070653	779765854	/nfs/dbraw/zinc/76/58/54/779765854.db2.gz	MISSFQDKZJOZIV-UHFFFAOYSA-N	2	0	301.387	-1.041	20	0		DAADRP
O=C(C1=NO[C@]2(CC[NH2+]C2)C1)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158091927	779765907	/nfs/dbraw/zinc/76/59/07/779765907.db2.gz	KKVZMQCLIXOJJE-UONOGXRCSA-N	2	0	307.354	-1.815	20	0		DAADRP
O=C([C@H]1CCSC12C[NH2+]C2)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158093493	779765969	/nfs/dbraw/zinc/76/59/69/779765969.db2.gz	VVRQWXPIVFIHLF-MFKMUULPSA-N	2	0	310.423	-1.228	20	0		DAADRP
O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158093515	779766017	/nfs/dbraw/zinc/76/60/17/779766017.db2.gz	WOWUSGYDWJWUOF-BLLLJJGKSA-N	3	0	321.425	-1.449	20	0		DAADRP
O=C([C@H]1C[NH2+]Cc2ccnn2C1)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158091373	779766054	/nfs/dbraw/zinc/76/60/54/779766054.db2.gz	BUDUXMROOQBHRA-XHDPSFHLSA-N	2	0	318.381	-1.707	20	0		DAADRP
O=C(N1CC(=O)NC[C@]12CC[NH2+]C2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001158092713	779766152	/nfs/dbraw/zinc/76/61/52/779766152.db2.gz	PIHXTUBGZFLRQL-KCPJHIHWSA-N	3	0	307.398	-2.124	20	0		DAADRP
O=C([C@H]1CCSC12C[NH2+]C2)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158093494	779766207	/nfs/dbraw/zinc/76/62/07/779766207.db2.gz	VVRQWXPIVFIHLF-ZWNOBZJWSA-N	2	0	310.423	-1.228	20	0		DAADRP
O=C([C@@H]1CC[C@]2(C1)C[NH2+]CCO2)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158091698	779766237	/nfs/dbraw/zinc/76/62/37/779766237.db2.gz	HAVWDTVTUDARQC-KCXAZCMYSA-N	2	0	322.409	-1.164	20	0		DAADRP
COC(=O)CC[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158110790	779766899	/nfs/dbraw/zinc/76/68/99/779766899.db2.gz	ISQWWTGLHPXDJY-BONVTDFDSA-N	2	0	324.381	-1.795	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158100703	779767043	/nfs/dbraw/zinc/76/70/43/779767043.db2.gz	AVQWMOVNAJBTRC-IINYFYTJSA-N	2	0	309.370	-2.455	20	0		DAADRP
C[NH2+][C@H]1CCCN(CC(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)C1	ZINC001158102914	779767109	/nfs/dbraw/zinc/76/71/09/779767109.db2.gz	XZMQXZOCIBFZML-WFASDCNBSA-N	2	0	309.414	-1.639	20	0		DAADRP
O=C([C@@H]1C[NH2+]C[C@H](O)C1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158110766	779767129	/nfs/dbraw/zinc/76/71/29/779767129.db2.gz	ISHXFTUKXTYHFO-FIXISWKDSA-N	2	0	308.382	-2.105	20	0		DAADRP
O=C(N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)[C@]12C[NH2+]C[C@@H]1CCN2	ZINC001158109785	779767276	/nfs/dbraw/zinc/76/72/76/779767276.db2.gz	CHRJPKJESVKDQE-XZJROXQQSA-N	2	0	319.409	-2.124	20	0		DAADRP
C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158111074	779767552	/nfs/dbraw/zinc/76/75/52/779767552.db2.gz	KBCLCPMKEPOWHW-BLLLJJGKSA-N	3	0	323.441	-1.359	20	0		DAADRP
O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158111016	779767559	/nfs/dbraw/zinc/76/75/59/779767559.db2.gz	JDTZEMAPPXEZBI-ZBEGNZNMSA-N	3	0	319.409	-2.267	20	0		DAADRP
O=C(N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)[C@@]12CC[C@H]1C[NH2+]C2	ZINC001158118789	779767988	/nfs/dbraw/zinc/76/79/88/779767988.db2.gz	DLTUFWNOSQYQKK-IUIKQTSFSA-N	2	0	304.394	-1.076	20	0		DAADRP
O=C([C@@H]1C[NH2+]C[C@@H](F)C1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158112160	779768120	/nfs/dbraw/zinc/76/81/20/779768120.db2.gz	WFXUSTORJDTOGW-ZIBATOQPSA-N	2	0	310.373	-1.128	20	0		DAADRP
[NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158111501	779768214	/nfs/dbraw/zinc/76/82/14/779768214.db2.gz	ONUQVUBQIWAHHH-XHDPSFHLSA-N	2	0	318.381	-1.782	20	0		DAADRP
[NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158118566	779768495	/nfs/dbraw/zinc/76/84/95/779768495.db2.gz	AORXDOLWVKKBNV-LRDDRELGSA-N	3	0	323.441	-1.229	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158118632	779768539	/nfs/dbraw/zinc/76/85/39/779768539.db2.gz	CBINUVQNWGVDBE-YHAQOWFVSA-N	2	0	323.397	-2.224	20	0		DAADRP
N[C@]1(C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CCC[NH2+]C1	ZINC001158118665	779768711	/nfs/dbraw/zinc/76/87/11/779768711.db2.gz	CHNJWTQWGITURX-HUUCEWRRSA-N	2	0	307.398	-1.995	20	0		DAADRP
O=C(c1n[nH]c2c1C[NH2+]C2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158118884	779768717	/nfs/dbraw/zinc/76/87/17/779768717.db2.gz	DCRNSFDFVVTUNF-OAHLLOKOSA-N	2	0	316.365	-1.435	20	0		DAADRP
[NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158111494	779768797	/nfs/dbraw/zinc/76/87/97/779768797.db2.gz	ONUQVUBQIWAHHH-ABAIWWIYSA-N	2	0	318.381	-1.782	20	0		DAADRP
O=C(COC1CC[NH2+]CC1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158119875	779768873	/nfs/dbraw/zinc/76/88/73/779768873.db2.gz	IIHGYWACQVCUFP-INIZCTEOSA-N	2	0	322.409	-1.307	20	0		DAADRP
O=C([C@H]1CO[C@@H]2C[NH2+]C[C@H]12)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158120371	779769222	/nfs/dbraw/zinc/76/92/22/779769222.db2.gz	LJMOBXVXLKMHTH-AZKPJATDSA-N	2	0	320.393	-1.841	20	0		DAADRP
O=C([C@H]1C[NH2+][C@@H]2CCO[C@@H]21)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158121715	779769637	/nfs/dbraw/zinc/76/96/37/779769637.db2.gz	WLCGGHJQVFFMBM-XSUJLISDSA-N	2	0	320.393	-1.699	20	0		DAADRP
NC(=O)CC[C@H]([NH3+])CC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158121371	779770139	/nfs/dbraw/zinc/77/01/39/779770139.db2.gz	SCWBBYNTYWZQKY-ZUZCIYMTSA-N	2	0	323.397	-2.093	20	0		DAADRP
O=C(C1=NO[C@@H]2C[NH2+]C[C@H]12)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158120407	779770164	/nfs/dbraw/zinc/77/01/64/779770164.db2.gz	MDWGCYGTZUIYHE-WMFXKJRFSA-N	2	0	319.365	-2.101	20	0		DAADRP
[NH3+]CC12CC(C1)CN2C(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2	ZINC001158185672	779771167	/nfs/dbraw/zinc/77/11/67/779771167.db2.gz	AAMRUUGATNLXFP-CVZZAPKMSA-N	2	0	317.397	-1.126	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1	ZINC001158179121	779771297	/nfs/dbraw/zinc/77/12/97/779771297.db2.gz	IOMTTZWYMOHUTM-MRVWCRGKSA-N	3	0	311.430	-1.816	20	0		DAADRP
[NH3+][C@@H](CO)Cc1cncn1-c1cncc(N2CC[NH2+]CC2)n1	ZINC001158206390	779771503	/nfs/dbraw/zinc/77/15/03/779771503.db2.gz	MJEDJLRKTJVFLN-LLVKDONJSA-N	2	0	303.370	-1.066	20	0		DAADRP
O=C([C@@H]1C[NH2+]C[C@@H]1O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158277835	779772075	/nfs/dbraw/zinc/77/20/75/779772075.db2.gz	VWLDPPUBKFWIPF-MNOVXSKESA-N	2	0	306.370	-1.721	20	0		DAADRP
O=C([C@H]1C[NH2+]C[C@H](O)C1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158262965	779772226	/nfs/dbraw/zinc/77/22/26/779772226.db2.gz	WSOCVJFFYXIAQG-VXGBXAGGSA-N	2	0	320.397	-1.331	20	0		DAADRP
CNC(=O)C[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1	ZINC001158275446	779772640	/nfs/dbraw/zinc/77/26/40/779772640.db2.gz	VEANQIGKTFXAAI-UHFFFAOYSA-N	2	0	310.402	-1.100	20	0		DAADRP
O=C([C@H]1C[NH2+]CC[C@@H]1O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158260016	779772854	/nfs/dbraw/zinc/77/28/54/779772854.db2.gz	ASWRCCNBRVAJAK-RYUDHWBXSA-N	2	0	320.397	-1.331	20	0		DAADRP
N[C@H]1C[NH2+]C[C@@H]1C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158276876	779772982	/nfs/dbraw/zinc/77/29/82/779772982.db2.gz	GBNDPDIIWQEUCT-QWRGUYRKSA-N	2	0	305.386	-1.754	20	0		DAADRP
O=C([C@@H]1C[NH2+]C[C@@H](O)C1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158262964	779773103	/nfs/dbraw/zinc/77/31/03/779773103.db2.gz	WSOCVJFFYXIAQG-RYUDHWBXSA-N	2	0	320.397	-1.331	20	0		DAADRP
O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1C[C@@H]2CC[NH2+][C@@H]2C1	ZINC001158305160	779773143	/nfs/dbraw/zinc/77/31/43/779773143.db2.gz	DRBHCFAKIHOZGN-SDDRHHMPSA-N	2	0	317.397	-1.256	20	0		DAADRP
O=C(N1CCC2(CC1)COCC(=O)N2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001158327296	779774134	/nfs/dbraw/zinc/77/41/34/779774134.db2.gz	YAJNCCGBHNXUDW-MLGOLLRUSA-N	2	0	322.409	-1.307	20	0		DAADRP
O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC[C@@H]2[NH2+]C[C@H]21	ZINC001158415517	779775346	/nfs/dbraw/zinc/77/53/46/779775346.db2.gz	LZLKUBXXUPQEAL-SDDRHHMPSA-N	2	0	317.397	-1.113	20	0		DAADRP
O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC[C@H]2[NH2+]C[C@H]21	ZINC001158415516	779775490	/nfs/dbraw/zinc/77/54/90/779775490.db2.gz	LZLKUBXXUPQEAL-QJPTWQEYSA-N	2	0	317.397	-1.113	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC[C@H]2[NH2+]C[C@H]21)C(N)=O	ZINC001158421075	779775945	/nfs/dbraw/zinc/77/59/45/779775945.db2.gz	CBYXRVFSCGPDKS-LNFKQOIKSA-N	2	0	311.386	-1.953	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2	ZINC001158495626	779776710	/nfs/dbraw/zinc/77/67/10/779776710.db2.gz	AGCPDJBMZAFALY-VGBQHSPPSA-N	2	0	322.409	-1.310	20	0		DAADRP
O=C(NCCC[NH2+]CCOCCO)[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001158505317	779777089	/nfs/dbraw/zinc/77/70/89/779777089.db2.gz	ARWSOPSRHDPLSG-ZIAGYGMSSA-N	2	0	315.414	-1.046	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@]1(N)CCC[NH2+]C1	ZINC001158498223	779777267	/nfs/dbraw/zinc/77/72/67/779777267.db2.gz	MUASPBBYPWQANY-UUIJZJDISA-N	2	0	310.398	-1.181	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1C[NH2+]CCC1=O	ZINC001158497497	779777269	/nfs/dbraw/zinc/77/72/69/779777269.db2.gz	AEXHJMBCICAGTE-FIQHERPVSA-N	2	0	309.366	-1.083	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3	ZINC001158548772	779778185	/nfs/dbraw/zinc/77/81/85/779778185.db2.gz	ZFNQPRCRACPUQM-NRWUCQMLSA-N	3	0	314.455	-1.015	20	0		DAADRP
O=C([C@@H]1NC(=O)CC12C[NH2+]C2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3	ZINC001158535975	779778283	/nfs/dbraw/zinc/77/82/83/779778283.db2.gz	ZYRWVXPQDVRYCA-NGOBNIPXSA-N	2	0	320.393	-1.556	20	0		DAADRP
O=C(C1=NO[C@@H]2C[NH2+]C[C@H]12)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3	ZINC001158533555	779778353	/nfs/dbraw/zinc/77/83/53/779778353.db2.gz	NVICKFXTLPPHDR-BJIWRROBSA-N	2	0	306.366	-1.060	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1	ZINC001158579426	779778356	/nfs/dbraw/zinc/77/83/56/779778356.db2.gz	SPLRTISFTMTJSG-NAKRPEOUSA-N	2	0	316.377	-1.654	20	0		DAADRP
CN1CCO[C@H]2CN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C[C@H]21	ZINC001158804520	779780360	/nfs/dbraw/zinc/78/03/60/779780360.db2.gz	QTROGNNSPDPYQI-MJBXVCDLSA-N	2	0	311.430	-1.722	20	0		DAADRP
CN1CCO[C@H]2CN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C[C@H]21	ZINC001158804517	779780410	/nfs/dbraw/zinc/78/04/10/779780410.db2.gz	QTROGNNSPDPYQI-MCIONIFRSA-N	2	0	311.430	-1.722	20	0		DAADRP
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@]1(N)CC[NH2+]C1)CC2	ZINC001158891180	779781662	/nfs/dbraw/zinc/78/16/62/779781662.db2.gz	VOJQSFPCLQAEBX-MRXNPFEDSA-N	2	0	323.441	-1.120	20	0		DAADRP
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H](N)CC[NH3+])CC2	ZINC001158891193	779781702	/nfs/dbraw/zinc/78/17/02/779781702.db2.gz	WBPRDNVXQOQQJD-LBPRGKRZSA-N	2	0	311.430	-1.135	20	0		DAADRP
COC(=O)c1cc(S(N)(=O)=O)cnc1N[C@@H]([NH3+])CCC[NH3+]	ZINC001159788088	779797814	/nfs/dbraw/zinc/79/78/14/779797814.db2.gz	GXCAHCHVLOTETL-SECBINFHSA-N	2	0	317.371	-1.049	20	0		DAADRP
C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1CC1	ZINC001159932749	779798823	/nfs/dbraw/zinc/79/88/23/779798823.db2.gz	USEZGOOJXFVWPK-GFCCVEGCSA-N	2	0	320.459	-1.028	20	0		DAADRP
Cn1cc(N2C[C@@H]3CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@@H]3C2=O)cn1	ZINC001160217285	779803405	/nfs/dbraw/zinc/80/34/05/779803405.db2.gz	MNKARRLYRDXOFG-WCFLWFBJSA-N	2	0	320.397	-1.093	20	0		DAADRP
Cn1cc(N2C[C@@H]3CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@@H]3C2=O)cn1	ZINC001160217280	779803628	/nfs/dbraw/zinc/80/36/28/779803628.db2.gz	MNKARRLYRDXOFG-DRZSPHRISA-N	2	0	320.397	-1.093	20	0		DAADRP
CS(=O)(=O)N1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1	ZINC001160432030	779806788	/nfs/dbraw/zinc/80/67/88/779806788.db2.gz	LKIUBXZEDJIJFS-VIFPVBQESA-N	2	0	310.445	-1.891	20	0		DAADRP
CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001160427832	779806795	/nfs/dbraw/zinc/80/67/95/779806795.db2.gz	VEBPTEKCIURHET-NSHDSACASA-N	2	0	301.391	-1.137	20	0		DAADRP
CC(C)NC(=O)CN1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1	ZINC001160485681	779807826	/nfs/dbraw/zinc/80/78/26/779807826.db2.gz	ZATKSIAFCFGIKD-CYBMUJFWSA-N	2	0	323.441	-1.536	20	0		DAADRP
COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)C[NH2+]CCC[NH3+]	ZINC001160495004	779808191	/nfs/dbraw/zinc/80/81/91/779808191.db2.gz	WCKZNXDCQQEWGA-SCZZXKLOSA-N	2	0	319.383	-1.459	20	0		DAADRP
CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1	ZINC001160485701	779808215	/nfs/dbraw/zinc/80/82/15/779808215.db2.gz	ZATKSIAFCFGIKD-ZDUSSCGKSA-N	2	0	323.441	-1.536	20	0		DAADRP
COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)C[NH2+]CCC[NH3+]	ZINC001160494997	779809473	/nfs/dbraw/zinc/80/94/73/779809473.db2.gz	WCKZNXDCQQEWGA-PSASIEDQSA-N	2	0	319.383	-1.459	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)n1ccc([C@@H]2CCC[NH2+]2)nc1=N	ZINC001160541732	779810485	/nfs/dbraw/zinc/81/04/85/779810485.db2.gz	GYLZZNURHMKCHW-GUBZILKMSA-N	2	0	322.369	-1.748	20	0		DAADRP
[NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC(CO)C1	ZINC001160531613	779810838	/nfs/dbraw/zinc/81/08/38/779810838.db2.gz	VXSYBOJAPGCIEX-STQMWFEESA-N	2	0	312.414	-1.116	20	0		DAADRP
N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1	ZINC001160539425	779811430	/nfs/dbraw/zinc/81/14/30/779811430.db2.gz	SNDNUPLHMCGXCI-PWSUYJOCSA-N	2	0	318.381	-1.242	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(CCF)CC1	ZINC001160629948	779811739	/nfs/dbraw/zinc/81/17/39/779811739.db2.gz	VSEUFNYANCUIDD-ZDUSSCGKSA-N	2	0	301.410	-1.150	20	0		DAADRP
CN1CCN(C2CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C2)CC1=O	ZINC001160638097	779813983	/nfs/dbraw/zinc/81/39/83/779813983.db2.gz	ZHCJWIWTTCVBHO-MLGOLLRUSA-N	2	0	321.425	-1.830	20	0		DAADRP
C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CC(N2CCNC(=O)C2)C1	ZINC001160637031	779814146	/nfs/dbraw/zinc/81/41/46/779814146.db2.gz	NPLDCDJCJOPBNO-ZDUSSCGKSA-N	2	0	311.430	-1.312	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1	ZINC001160655501	779814726	/nfs/dbraw/zinc/81/47/26/779814726.db2.gz	OKNRYEZZBOPAPE-UYXSQOIJSA-N	2	0	301.347	-3.386	20	0		DAADRP
NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N2CCO[C@@H](C[NH3+])C2)cc1	ZINC001160644457	779814994	/nfs/dbraw/zinc/81/49/94/779814994.db2.gz	ZBMKMNHOLAJTQO-STQMWFEESA-N	2	0	306.366	-1.159	20	0		DAADRP
[NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H](C[NH3+])C1	ZINC001160643404	779815070	/nfs/dbraw/zinc/81/50/70/779815070.db2.gz	HDQKBWZYUUQTQG-KBPBESRZSA-N	2	0	320.393	-1.141	20	0		DAADRP
O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2[nH]c(=O)[nH]c(=O)c2C1	ZINC001160641081	779815222	/nfs/dbraw/zinc/81/52/22/779815222.db2.gz	WMZIZWVDVPDHTQ-SECBINFHSA-N	2	0	305.338	-1.419	20	0		DAADRP
C[N@@H+]1C[C@H](C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)OC2(CC[NH2+]CC2)C1	ZINC001160652522	779815291	/nfs/dbraw/zinc/81/52/91/779815291.db2.gz	FJKDQZHBUNZOAX-JHJVBQTASA-N	3	0	312.414	-1.640	20	0		DAADRP
CN(CCC1OCCO1)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001160682641	779816762	/nfs/dbraw/zinc/81/67/62/779816762.db2.gz	HFDJHRYZSPBTJR-LBPRGKRZSA-N	2	0	300.403	-1.042	20	0		DAADRP
C[N@H+]1C[C@H]2CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C[C@H]2C1	ZINC001160704932	779817386	/nfs/dbraw/zinc/81/73/86/779817386.db2.gz	RDQHKDFMTDCKQU-PHIMTYICSA-N	2	0	304.416	-1.773	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[NH+]2CCC1CC2	ZINC001160726575	779817435	/nfs/dbraw/zinc/81/74/35/779817435.db2.gz	QBFKGHOBGCHQBL-ONGXEEELSA-N	2	0	311.386	-2.000	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[C@H](O)C[NH3+])C[C@H]1C2	ZINC001160791928	779819584	/nfs/dbraw/zinc/81/95/84/779819584.db2.gz	IOZLQABTNFMVOO-KYSMWIMPSA-N	2	0	311.382	-1.447	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[NH2+]CCN3)C[C@H]1C2	ZINC001160794016	779819645	/nfs/dbraw/zinc/81/96/45/779819645.db2.gz	JQKVIDNIJSEBLV-CRQFQMBKSA-N	2	0	322.409	-1.595	20	0		DAADRP
CCOC(=O)[C@]12CN(C(=O)C[NH2+]CCC[NH3+])C[C@H]1C[NH2+]CC2	ZINC001160812405	779819744	/nfs/dbraw/zinc/81/97/44/779819744.db2.gz	PQWZUPJAGSCIKH-IUODEOHRSA-N	3	0	312.414	-1.074	20	0		DAADRP
CC[C@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)[NH+](C)C	ZINC001160889735	779821416	/nfs/dbraw/zinc/82/14/16/779821416.db2.gz	QRFZNEKWZIJNNO-LLVKDONJSA-N	2	0	308.448	-1.028	20	0		DAADRP
COC(=O)c1cn2c(n1)CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC2	ZINC001160902041	779823028	/nfs/dbraw/zinc/82/30/28/779823028.db2.gz	KLHMVSVRHOBTAG-JTQLQIEISA-N	2	0	319.365	-1.179	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1	ZINC001160971570	779823669	/nfs/dbraw/zinc/82/36/69/779823669.db2.gz	JHZOQNDHDNKDDT-MNOVXSKESA-N	2	0	305.373	-1.068	20	0		DAADRP
CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C1	ZINC001161049920	779824245	/nfs/dbraw/zinc/82/42/45/779824245.db2.gz	JOGDTDALZQATJX-TUAOUCFPSA-N	2	0	300.403	-1.248	20	0		DAADRP
O=C(N1CC(O)([C@H]2CCCC[NH2+]2)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001161000130	779824422	/nfs/dbraw/zinc/82/44/22/779824422.db2.gz	QADLUDSWSZWXDL-UMVBOHGHSA-N	3	0	308.426	-1.099	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[NH3+]	ZINC001161063397	779824712	/nfs/dbraw/zinc/82/47/12/779824712.db2.gz	MGZCJQKQJYXRRL-ZRUFSTJUSA-N	2	0	313.402	-1.578	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[NH3+]	ZINC001161063395	779824780	/nfs/dbraw/zinc/82/47/80/779824780.db2.gz	MGZCJQKQJYXRRL-XWLWVQCSSA-N	2	0	313.402	-1.578	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1	ZINC001161010128	779825505	/nfs/dbraw/zinc/82/55/05/779825505.db2.gz	ZJQKXXRQNXDCDR-DCAQKATOSA-N	2	0	314.386	-2.474	20	0		DAADRP
CCOC(=O)[C@@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001161093105	779826536	/nfs/dbraw/zinc/82/65/36/779826536.db2.gz	IEMBKNMBZWJSCF-TYNCELHUSA-N	2	0	311.382	-1.024	20	0		DAADRP
O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCN(c2ncc(O)cn2)CC1	ZINC001161082815	779826780	/nfs/dbraw/zinc/82/67/80/779826780.db2.gz	RAOUPUUTQKRMTR-GFCCVEGCSA-N	2	0	318.381	-1.360	20	0		DAADRP
CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]([NH3+])CC[S@](C)=O	ZINC001161157809	779829009	/nfs/dbraw/zinc/82/90/09/779829009.db2.gz	KJKUTWRBYWSFKS-FVINQWEUSA-N	2	0	307.416	-1.177	20	0		DAADRP
CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1C[NH2+]C[C@@H]1OC(C)=O	ZINC001161158630	779829125	/nfs/dbraw/zinc/82/91/25/779829125.db2.gz	ZCHVKPUHZMXROD-RYUDHWBXSA-N	2	0	315.370	-1.122	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)N1Cc2ccnn2CC[C@H]1CO	ZINC001161170447	779830227	/nfs/dbraw/zinc/83/02/27/779830227.db2.gz	FQVUTABHSHVVIT-RYUDHWBXSA-N	2	0	313.427	-1.005	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)C(N)=O	ZINC001161231031	779831171	/nfs/dbraw/zinc/83/11/71/779831171.db2.gz	CWFNQLZRFUOMQR-XWLWVQCSSA-N	2	0	313.402	-1.707	20	0		DAADRP
CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C[C@H]2C1	ZINC001161175627	779831475	/nfs/dbraw/zinc/83/14/75/779831475.db2.gz	MSZXKVKYEXUWDQ-RVMXOQNASA-N	2	0	312.414	-1.389	20	0		DAADRP
O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCN(c2ncncn2)CC1	ZINC001161247901	779832913	/nfs/dbraw/zinc/83/29/13/779832913.db2.gz	MUGIDHQALOWROD-NSHDSACASA-N	2	0	303.370	-1.671	20	0		DAADRP
CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@@H]1CCC[NH2+]C1	ZINC001161331256	779833395	/nfs/dbraw/zinc/83/33/95/779833395.db2.gz	VLRRWKHITHZEBL-LLVKDONJSA-N	2	0	306.432	-1.193	20	0		DAADRP
CC(C)N(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@H]1CC[NH2+]C1	ZINC001161352906	779834012	/nfs/dbraw/zinc/83/40/12/779834012.db2.gz	GRTPKBFASUVKLU-NSHDSACASA-N	2	0	306.432	-1.194	20	0		DAADRP
COC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])CCC[NH3+])CCN1C(C)=O	ZINC001161295575	779834823	/nfs/dbraw/zinc/83/48/23/779834823.db2.gz	MBQDYFUMSQQRIQ-MNOVXSKESA-N	2	0	300.359	-1.715	20	0		DAADRP
[NH3+]C1CCN([C@H]2CCN(C(=O)[C@H]3NC(=O)CC34C[NH2+]C4)C2)CC1	ZINC001161380354	779835391	/nfs/dbraw/zinc/83/53/91/779835391.db2.gz	UXVRGGTVTPAKCQ-GXTWGEPZSA-N	2	0	321.425	-1.512	20	0		DAADRP
[NH3+]C1CCN([C@H]2CCN(C(=O)C3=NO[C@@H]4C[NH2+]C[C@H]34)C2)CC1	ZINC001161379918	779835597	/nfs/dbraw/zinc/83/55/97/779835597.db2.gz	RUCQXDKCQHCTKL-RWMBFGLXSA-N	2	0	307.398	-1.015	20	0		DAADRP
[NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C2)CC1	ZINC001161377592	779835901	/nfs/dbraw/zinc/83/59/01/779835901.db2.gz	IBYQPPNEFFKKKV-PMOUVXMZSA-N	2	0	307.442	-1.040	20	0		DAADRP
[NH3+]C1CCN([C@@H]2CCN(C(=O)C3=NO[C@@H]4C[NH2+]C[C@H]34)C2)CC1	ZINC001161379916	779836015	/nfs/dbraw/zinc/83/60/15/779836015.db2.gz	RUCQXDKCQHCTKL-FRRDWIJNSA-N	2	0	307.398	-1.015	20	0		DAADRP
[NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)C[C@@H]12	ZINC001161411826	779836039	/nfs/dbraw/zinc/83/60/39/779836039.db2.gz	BEOXOGCKCAWNSS-WISYIIOYSA-N	2	0	313.423	-1.041	20	0		DAADRP
C[NH+](C)CCN(C(=O)[C@H]1NC(=O)CC12C[NH2+]C2)[C@H]1CCC[NH2+]C1	ZINC001161447239	779836975	/nfs/dbraw/zinc/83/69/75/779836975.db2.gz	WISPAGLYULRVOK-GXTWGEPZSA-N	3	0	323.441	-1.393	20	0		DAADRP
C[NH+](C)CCN(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)[C@@H]1CCC[NH2+]C1	ZINC001161446599	779836997	/nfs/dbraw/zinc/83/69/97/779836997.db2.gz	SUENFOXUVSGTKY-ZIAGYGMSSA-N	4	0	309.458	-1.062	20	0		DAADRP
[NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CC[NH2+]C1	ZINC001161418854	779837301	/nfs/dbraw/zinc/83/73/01/779837301.db2.gz	SQXXCEILKYLMIA-STQMWFEESA-N	2	0	322.365	-1.872	20	0		DAADRP
C[NH+](C)CCN(C(=O)[C@@H]1NC(=O)CC12C[NH2+]C2)[C@@H]1CCC[NH2+]C1	ZINC001161447243	779837401	/nfs/dbraw/zinc/83/74/01/779837401.db2.gz	WISPAGLYULRVOK-OCCSQVGLSA-N	3	0	323.441	-1.393	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1C[NH2+]CCC1=O)CC2	ZINC001161478376	779838086	/nfs/dbraw/zinc/83/80/86/779838086.db2.gz	MCRVJFUMYNINKQ-WBIUFABUSA-N	2	0	309.366	-1.081	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1CO[C@@H]3C[NH2+]C[C@H]13)CC2	ZINC001161476988	779838122	/nfs/dbraw/zinc/83/81/22/779838122.db2.gz	FZKOMZVPIADMSN-CRQFQMBKSA-N	2	0	323.393	-1.026	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])COC(C)=O)CC2	ZINC001161476215	779838554	/nfs/dbraw/zinc/83/85/54/779838554.db2.gz	BLVHEDISQXFOOE-WDMOLILDSA-N	2	0	313.354	-1.370	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])Cn1cccn1)CC2	ZINC001161479648	779838842	/nfs/dbraw/zinc/83/88/42/779838842.db2.gz	QJEAKRPJSGIICC-HUBLWGQQSA-N	2	0	321.381	-1.036	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1C[NH2+]C[C@@H](O)C1)CC2	ZINC001161477778	779838947	/nfs/dbraw/zinc/83/89/47/779838947.db2.gz	JCEQRZIWTWMWNH-ZAZJYDDPSA-N	2	0	311.382	-1.290	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C1=NO[C@@H]3C[NH2+]C[C@H]13)CC2	ZINC001161480877	779839122	/nfs/dbraw/zinc/83/91/22/779839122.db2.gz	VPXWMWFVUKUKLH-DDIVZENXSA-N	2	0	322.365	-1.286	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[NH2+]CCC1=O)CC2	ZINC001161478373	779839190	/nfs/dbraw/zinc/83/91/90/779839190.db2.gz	MCRVJFUMYNINKQ-HCKVZZMMSA-N	2	0	309.366	-1.081	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@](C)(C[NH3+])C1	ZINC001161489499	779839674	/nfs/dbraw/zinc/83/96/74/779839674.db2.gz	UCDXMUUVNDPDJV-PKFCDNJMSA-N	2	0	313.402	-1.719	20	0		DAADRP
[NH3+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)CC12COC2	ZINC001161510417	779840100	/nfs/dbraw/zinc/84/01/00/779840100.db2.gz	OPMCLDUJEBLUPU-RWMBFGLXSA-N	2	0	322.409	-1.085	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC([N@H+](C)[C@H]2CCOC2)C1	ZINC001161499926	779840401	/nfs/dbraw/zinc/84/04/01/779840401.db2.gz	NDNQLGNZOIXFNS-NHCYSSNCSA-N	2	0	314.386	-2.258	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[NH2+]CC[C@H]1O)CC2	ZINC001161481294	779840725	/nfs/dbraw/zinc/84/07/25/779840725.db2.gz	XMIUDIARSYTJGT-BLTAXRJOSA-N	2	0	311.382	-1.290	20	0		DAADRP
[NH3+][C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)CC12COC2	ZINC001161510415	779840750	/nfs/dbraw/zinc/84/07/50/779840750.db2.gz	OPMCLDUJEBLUPU-AVGNSLFASA-N	2	0	322.409	-1.085	20	0		DAADRP
CO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)C[C@@H]1[NH3+]	ZINC001161491594	779841167	/nfs/dbraw/zinc/84/11/67/779841167.db2.gz	FYUQGFAFIXRPSS-YNEHKIRRSA-N	3	0	312.414	-1.376	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1	ZINC001161510996	779842643	/nfs/dbraw/zinc/84/26/43/779842643.db2.gz	UOBIRZJTPOGJOA-XHNCKOQMSA-N	2	0	313.358	-3.120	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])c1nccc(N2CC[NH2+]CC2)n1	ZINC001162123834	779850316	/nfs/dbraw/zinc/85/03/16/779850316.db2.gz	FIRQAGXBSLGVPS-UHFFFAOYSA-N	2	0	300.388	-1.389	20	0		DAADRP
COC(=O)[C@H]1C[NH2+]CCN1c1cncc(N2CC[NH2+]CC2)n1	ZINC001165438576	779884212	/nfs/dbraw/zinc/88/42/12/779884212.db2.gz	HJGIIPXKPWLCMP-LLVKDONJSA-N	2	0	306.370	-1.163	20	0		DAADRP
C[NH+](C)CCC(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1	ZINC001206138681	779907299	/nfs/dbraw/zinc/90/72/99/779907299.db2.gz	SQIWPJXGLOPKHO-UHFFFAOYSA-N	2	0	313.402	-1.039	20	0		DAADRP
C[NH+](C)CCOCC(=O)N1CCC(C[NH2+]CC(N)=O)CC1	ZINC001206873982	779910961	/nfs/dbraw/zinc/91/09/61/779910961.db2.gz	ZHHDUXVOUPDPMS-UHFFFAOYSA-N	2	0	300.403	-1.122	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001207683987	779923141	/nfs/dbraw/zinc/92/31/41/779923141.db2.gz	JCDPMRNJWCNATF-MNOVXSKESA-N	2	0	311.386	-1.144	20	0		DAADRP
CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)CC[NH+](C)C	ZINC001213378267	779977436	/nfs/dbraw/zinc/97/74/36/779977436.db2.gz	JKGFGWFAEDZLJW-CHWSQXEVSA-N	2	0	303.403	-1.238	20	0		DAADRP
C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NC(N)=O	ZINC001215458992	780008915	/nfs/dbraw/zinc/00/89/15/780008915.db2.gz	SMPGOERISPPWDY-OUAUKWLOSA-N	2	0	313.402	-1.042	20	0		DAADRP
CNC(=O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C	ZINC001216402135	780012403	/nfs/dbraw/zinc/01/24/03/780012403.db2.gz	UNOBLBVFHNXKRB-VXGBXAGGSA-N	2	0	300.403	-1.253	20	0		DAADRP
O=c1cc(CO[C@@H]2CN3C[C@H]2[NH2+]CC3)nc2n1CCCNC2	ZINC001217804910	780026434	/nfs/dbraw/zinc/02/64/34/780026434.db2.gz	ZHXCVJSCOCGXFH-CHWSQXEVSA-N	2	0	305.382	-1.091	20	0		DAADRP
Cn1[nH]cnc1=NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC001218501814	780030933	/nfs/dbraw/zinc/03/09/33/780030933.db2.gz	TVLSXIZRWZTNMP-QWRGUYRKSA-N	2	0	323.401	-1.377	20	0		DAADRP
Nc1cn(C(=O)C[C@@H](O)C[NH3+])ccc1=[NH+]CCN1CCOCC1	ZINC001218620148	780036461	/nfs/dbraw/zinc/03/64/61/780036461.db2.gz	FTFCEYXDQXCUHG-GFCCVEGCSA-N	2	0	323.397	-1.347	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1	ZINC001219595928	780122867	/nfs/dbraw/zinc/12/28/67/780122867.db2.gz	WNIJSCVSNKTVGV-NEPJUHHUSA-N	2	0	318.443	-1.193	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1	ZINC001219595931	780122883	/nfs/dbraw/zinc/12/28/83/780122883.db2.gz	WNIJSCVSNKTVGV-VXGBXAGGSA-N	2	0	318.443	-1.193	20	0		DAADRP
O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1COC2(C[NH2+]C2)CN1	ZINC001219617937	780125267	/nfs/dbraw/zinc/12/52/67/780125267.db2.gz	RPTBZQHGXKQYMM-GBIKHYSHSA-N	2	0	302.350	-2.505	20	0		DAADRP
O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1COC2(C[NH2+]C2)CN1	ZINC001219617938	780125355	/nfs/dbraw/zinc/12/53/55/780125355.db2.gz	RPTBZQHGXKQYMM-OUJBWJOFSA-N	2	0	302.350	-2.505	20	0		DAADRP
O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)C1=NO[C@]2(CC[NH2+]C2)C1	ZINC001219616784	780125493	/nfs/dbraw/zinc/12/54/93/780125493.db2.gz	DBAHZFZHANCXKI-CYZMBNFOSA-N	2	0	300.334	-1.327	20	0		DAADRP
O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21	ZINC001219621761	780126370	/nfs/dbraw/zinc/12/63/70/780126370.db2.gz	HBCLDLTZDBQIEA-SVPLCASGSA-N	2	0	301.362	-1.210	20	0		DAADRP
O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21	ZINC001219621763	780127041	/nfs/dbraw/zinc/12/70/41/780127041.db2.gz	HBCLDLTZDBQIEA-XJBAAKRRSA-N	2	0	301.362	-1.210	20	0		DAADRP
O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[NH2+]C[C@H]2CCO[C@H]21	ZINC001219621764	780127398	/nfs/dbraw/zinc/12/73/98/780127398.db2.gz	HBCLDLTZDBQIEA-YGEZULPYSA-N	2	0	301.362	-1.210	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F	ZINC001219621723	780127511	/nfs/dbraw/zinc/12/75/11/780127511.db2.gz	FVPYQZPJVHFWRN-SGMGOOAPSA-N	3	0	317.409	-2.085	20	0		DAADRP
CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F	ZINC001219621591	780127547	/nfs/dbraw/zinc/12/75/47/780127547.db2.gz	DZAGFDQEPMGLDY-JYYRZZBQSA-N	2	0	318.393	-1.345	20	0		DAADRP
[NH3+]CCCC[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CCNCC1	ZINC001219678635	780133634	/nfs/dbraw/zinc/13/36/34/780133634.db2.gz	XNMJWJVFIBPUIL-NSHDSACASA-N	2	0	321.447	-2.206	20	0		DAADRP
O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2	ZINC001219711706	780135367	/nfs/dbraw/zinc/13/53/67/780135367.db2.gz	GYQYAZYGZCSGTB-HBNTYKKESA-N	2	0	306.370	-2.022	20	0		DAADRP
O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12	ZINC001219711806	780135858	/nfs/dbraw/zinc/13/58/58/780135858.db2.gz	IEPJVTZAJSKAHU-VSBTWAGUSA-N	2	0	316.361	-1.455	20	0		DAADRP
O=C(NCCC1(O)C[NH2+]C1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2	ZINC001219696278	780135934	/nfs/dbraw/zinc/13/59/34/780135934.db2.gz	FRMDEBZBWCFRSR-VIFPVBQESA-N	2	0	303.384	-2.396	20	0		DAADRP
O=C(NCCC1(O)C[NH2+]C1)[C@H]1Cn2ccnc2C12CC[NH2+]CC2	ZINC001219694511	780136020	/nfs/dbraw/zinc/13/60/20/780136020.db2.gz	KHUYZYSBQWQUEB-GFCCVEGCSA-N	2	0	319.409	-1.025	20	0		DAADRP
O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2	ZINC001219712728	780136205	/nfs/dbraw/zinc/13/62/05/780136205.db2.gz	UUTAMTQFDKKKCZ-GMTAPVOTSA-N	2	0	317.411	-2.150	20	0		DAADRP
O=C(NCCC1(O)C[NH2+]C1)c1cnc(N2CC[NH2+]CC2)cn1	ZINC001219696714	780136220	/nfs/dbraw/zinc/13/62/20/780136220.db2.gz	LWYNXLPQLVUIQF-UHFFFAOYSA-N	2	0	306.370	-1.660	20	0		DAADRP
CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NCCC1(O)C[NH2+]C1	ZINC001219696318	780136403	/nfs/dbraw/zinc/13/64/03/780136403.db2.gz	HHUQLNUIMYJXLN-JTQLQIEISA-N	2	0	316.402	-1.914	20	0		DAADRP
O=C(NCCC1(O)C[NH2+]C1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2	ZINC001219694986	780136712	/nfs/dbraw/zinc/13/67/12/780136712.db2.gz	OZUXCYJUVHDLDK-LLVKDONJSA-N	2	0	320.397	-1.630	20	0		DAADRP
[NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H]1COC[C@@H]1[NH3+]	ZINC001219721093	780137508	/nfs/dbraw/zinc/13/75/08/780137508.db2.gz	ZJUJGROMFKVTDA-RWMBFGLXSA-N	2	0	306.366	-1.485	20	0		DAADRP
[NH3+][C@H]1COC[C@H]1NC(=O)[C@H]1Cn2cnnc2C12CC[NH2+]CC2	ZINC001219721010	780137936	/nfs/dbraw/zinc/13/79/36/780137936.db2.gz	XSVINEUUDIHJJZ-OUAUKWLOSA-N	2	0	306.370	-1.629	20	0		DAADRP
CS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)nc1	ZINC001219716312	780137942	/nfs/dbraw/zinc/13/79/42/780137942.db2.gz	JWSKMEZBJGUPET-GFCCVEGCSA-N	2	0	324.406	-1.090	20	0		DAADRP
C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1	ZINC001219736772	780138792	/nfs/dbraw/zinc/13/87/92/780138792.db2.gz	HBBWVEJMWJBIFQ-TUAOUCFPSA-N	2	0	310.398	-1.181	20	0		DAADRP
O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001219736691	780139544	/nfs/dbraw/zinc/13/95/44/780139544.db2.gz	FLSYLDKFAZZEIW-RYUDHWBXSA-N	2	0	322.409	-1.403	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@H]1CC2(C[NH2+]C2)CO1	ZINC001219737508	780139579	/nfs/dbraw/zinc/13/95/79/780139579.db2.gz	XWCYHINYXLTIFE-SNVBAGLBSA-N	2	0	320.415	-2.299	20	0		DAADRP
O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001219736690	780140044	/nfs/dbraw/zinc/14/00/44/780140044.db2.gz	FLSYLDKFAZZEIW-NWDGAFQWSA-N	2	0	322.409	-1.403	20	0		DAADRP
O=C(NCc1nnc2n1CCC[NH2+]C2)C1=NO[C@@]2(CC[NH2+]C2)C1	ZINC001219748779	780141016	/nfs/dbraw/zinc/14/10/16/780141016.db2.gz	BRNFHTGWCVLWEC-AWEZNQCLSA-N	2	0	319.369	-1.104	20	0		DAADRP
O=C(NCc1nnc2n1CCC[NH2+]C2)[C@]12C[NH2+]C[C@@H]1CCN2	ZINC001219750200	780142424	/nfs/dbraw/zinc/14/24/24/780142424.db2.gz	XGVRGOXWXTWTKX-HZMBPMFUSA-N	2	0	305.386	-1.661	20	0		DAADRP
CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1nnc2n1CCC[NH2+]C2	ZINC001219750249	780142577	/nfs/dbraw/zinc/14/25/77/780142577.db2.gz	ZAZRBWMATOBCFK-GHMZBOCLSA-N	2	0	322.369	-1.461	20	0		DAADRP
NC(=O)CC[C@H]([NH3+])CC(=O)NCc1nnc2n1CCC[NH2+]C2	ZINC001219749391	780142783	/nfs/dbraw/zinc/14/27/83/780142783.db2.gz	MHGOCMQDKYOXLF-VIFPVBQESA-N	2	0	309.374	-1.630	20	0		DAADRP
[NH3+][C@@H](C(=O)NCc1nnc2n1CCC[NH2+]C2)C1CC[NH2+]CC1	ZINC001219748833	780142804	/nfs/dbraw/zinc/14/28/04/780142804.db2.gz	DRFVZVPLGAIFGN-CYBMUJFWSA-N	3	0	307.402	-1.286	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2	ZINC001219750269	780143201	/nfs/dbraw/zinc/14/32/01/780143201.db2.gz	ZNRHFEQLIPQXSJ-VIFPVBQESA-N	3	0	313.431	-1.593	20	0		DAADRP
O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1CCC2(C[NH2+]C2)O1	ZINC001219749152	780143231	/nfs/dbraw/zinc/14/32/31/780143231.db2.gz	ILYPJSIKNXEIBY-SNVBAGLBSA-N	2	0	306.370	-1.091	20	0		DAADRP
O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1COC2(C[NH2+]C2)CN1	ZINC001219764685	780144219	/nfs/dbraw/zinc/14/42/19/780144219.db2.gz	JWPRFAZJMKFEIV-FRRDWIJNSA-N	2	0	309.414	-2.273	20	0		DAADRP
O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1NC(=O)CC12C[NH2+]C2	ZINC001219764964	780144299	/nfs/dbraw/zinc/14/42/99/780144299.db2.gz	QPTDEQANKXUSNI-NTZNESFSSA-N	2	0	307.398	-2.126	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@]1(F)CCC[NH2+]C1	ZINC001219771982	780145654	/nfs/dbraw/zinc/14/56/54/780145654.db2.gz	VBRPHPZUFKJKAO-TZMCWYRMSA-N	3	0	301.410	-1.055	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@]1(F)CCC[NH2+]C1	ZINC001219770870	780146445	/nfs/dbraw/zinc/14/64/45/780146445.db2.gz	GAEXKOKSGZRKLC-RVBZMBCESA-N	2	0	317.365	-2.098	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@]1(F)CCC[NH2+]C1	ZINC001219771979	780146527	/nfs/dbraw/zinc/14/65/27/780146527.db2.gz	VBRPHPZUFKJKAO-GXTWGEPZSA-N	3	0	301.410	-1.055	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@]1(F)CCC[NH2+]C1	ZINC001219768947	780146617	/nfs/dbraw/zinc/14/66/17/780146617.db2.gz	REEUIRNAJRPFAU-NSHDSACASA-N	2	0	310.395	-1.585	20	0		DAADRP
CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1	ZINC001219766536	780146687	/nfs/dbraw/zinc/14/66/87/780146687.db2.gz	VWPKCGSLVYJODE-ZOBORPQBSA-N	2	0	310.398	-1.453	20	0		DAADRP
C[S@](=O)CC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1	ZINC001219766551	780146950	/nfs/dbraw/zinc/14/69/50/780146950.db2.gz	WAMWREGSGWSGSS-SWDFKHAISA-N	2	0	302.444	-1.508	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@]1(F)CCC[NH2+]C1	ZINC001219771981	780147085	/nfs/dbraw/zinc/14/70/85/780147085.db2.gz	VBRPHPZUFKJKAO-OCCSQVGLSA-N	3	0	301.410	-1.055	20	0		DAADRP
[NH3+]CCC[C@@H]([NH3+])C(=O)NCc1cc(=O)n2c(n1)CNCCC2	ZINC001219802807	780147831	/nfs/dbraw/zinc/14/78/31/780147831.db2.gz	CSGMGKGTMPIAHB-LLVKDONJSA-N	2	0	308.386	-1.581	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC[C@H]1CCOC12C[NH2+]C2	ZINC001219802683	780147929	/nfs/dbraw/zinc/14/79/29/780147929.db2.gz	ABCRRPKYXOAJPR-RYUDHWBXSA-N	2	0	310.398	-1.261	20	0		DAADRP
O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@H]1COC2(C[NH2+]C2)CN1	ZINC001219799993	780148509	/nfs/dbraw/zinc/14/85/09/780148509.db2.gz	FXKKEQJELPCKFI-NWDGAFQWSA-N	2	0	310.398	-1.798	20	0		DAADRP
NC(=O)NCCC[C@H]([NH3+])C(=O)NCc1noc2c1C[NH2+]CC2	ZINC001219809959	780150307	/nfs/dbraw/zinc/15/03/07/780150307.db2.gz	XHIPKFXAICGMFN-VIFPVBQESA-N	2	0	310.358	-1.288	20	0		DAADRP
CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@]12C[NH2+]C[C@H]1COC2	ZINC001219815372	780152104	/nfs/dbraw/zinc/15/21/04/780152104.db2.gz	XYRJNCGCVXKXEB-UHXUCMFUSA-N	2	0	312.414	-1.172	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H]1C[NH2+]Cc2ccsc21	ZINC001219826739	780153381	/nfs/dbraw/zinc/15/33/81/780153381.db2.gz	UVSNAPFFPFHVKC-UJNFCWOMSA-N	2	0	312.395	-1.167	20	0		DAADRP
O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]CC12C[NH2+]C2	ZINC001219834729	780153430	/nfs/dbraw/zinc/15/34/30/780153430.db2.gz	SPHVPBVUANBDEJ-WWGRRREGSA-N	3	0	324.425	-1.693	20	0		DAADRP
[NH3+]CCC[C@H]([NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219834742	780153475	/nfs/dbraw/zinc/15/34/75/780153475.db2.gz	SSPZYTGLYORDJE-SGMGOOAPSA-N	3	0	300.403	-1.436	20	0		DAADRP
O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)C1(O)CC[NH2+]CC1	ZINC001219835166	780153498	/nfs/dbraw/zinc/15/34/98/780153498.db2.gz	YLVDXZWCTQGUDE-TZMCWYRMSA-N	2	0	313.398	-1.388	20	0		DAADRP
O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@]12C[NH2+][C@@H](CO1)C2	ZINC001219833943	780153691	/nfs/dbraw/zinc/15/36/91/780153691.db2.gz	MNQRDGLZVGZJPF-RJZRQDKASA-N	2	0	311.382	-1.371	20	0		DAADRP
O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]C[C@@H](O)C1	ZINC001219834711	780153754	/nfs/dbraw/zinc/15/37/54/780153754.db2.gz	SKAXQTVDMNBOHN-OSFYFWSMSA-N	2	0	313.398	-1.532	20	0		DAADRP
O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]CCCO1	ZINC001219833712	780153813	/nfs/dbraw/zinc/15/38/13/780153813.db2.gz	HOLREMUOTWYKIL-KCQAQPDRSA-N	2	0	313.398	-1.124	20	0		DAADRP
[NH3+][C@@H](Cn1cccn1)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219834875	780153880	/nfs/dbraw/zinc/15/38/80/780153880.db2.gz	TWASEUZVEXISIN-KCQAQPDRSA-N	2	0	323.397	-1.278	20	0		DAADRP
[NH3+]CC(=O)NCC(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219835090	780153897	/nfs/dbraw/zinc/15/38/97/780153897.db2.gz	WLMAZDARBZRGAZ-MFKMUULPSA-N	2	0	300.359	-2.427	20	0		DAADRP
O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C1=NO[C@@H]2C[NH2+]C[C@H]12	ZINC001219834060	780154022	/nfs/dbraw/zinc/15/40/22/780154022.db2.gz	NYWRBEMAUUGQFO-ZAZJYDDPSA-N	2	0	324.381	-1.528	20	0		DAADRP
NC1(C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CC[NH2+]CC1	ZINC001219837806	780154600	/nfs/dbraw/zinc/15/46/00/780154600.db2.gz	MBYRCFOFOHRLIS-JSGCOSHPSA-N	2	0	312.414	-1.421	20	0		DAADRP
[NH3+]CCC[NH2+]CC(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219836750	780154612	/nfs/dbraw/zinc/15/46/12/780154612.db2.gz	DPZPMGDKMFZSIG-OCCSQVGLSA-N	3	0	300.403	-1.564	20	0		DAADRP
O=C(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219838025	780154753	/nfs/dbraw/zinc/15/47/53/780154753.db2.gz	NUJJMXKLFBOSTJ-IPYPFGDCSA-N	2	0	313.398	-1.124	20	0		DAADRP
O=C(CN1CC[NH2+]CC1)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219838212	780154777	/nfs/dbraw/zinc/15/47/77/780154777.db2.gz	OTEJVJNOTVHAKZ-UKRRQHHQSA-N	2	0	312.414	-1.597	20	0		DAADRP
[NH3+][C@H]1CCCCN(CC(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)C1=O	ZINC001219847718	780156318	/nfs/dbraw/zinc/15/63/18/780156318.db2.gz	PZLOQBLJXVINLR-ZJQBRPOHSA-N	2	0	310.398	-1.038	20	0		DAADRP
O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001219848004	780156393	/nfs/dbraw/zinc/15/63/93/780156393.db2.gz	VCAUAJBKALNIBD-MROQNXINSA-N	2	0	322.409	-1.262	20	0		DAADRP
C[S@@](=O)CC[C@H]([NH3+])C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21	ZINC001219852469	780157650	/nfs/dbraw/zinc/15/76/50/780157650.db2.gz	SMIHLZSFNJMYSL-YTVCGQLNSA-N	2	0	303.428	-1.177	20	0		DAADRP
O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1	ZINC001219856200	780157877	/nfs/dbraw/zinc/15/78/77/780157877.db2.gz	BTTBWOFCHBJMQP-IKOXMDCHSA-N	2	0	322.409	-1.168	20	0		DAADRP
CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21	ZINC001219852562	780157966	/nfs/dbraw/zinc/15/79/66/780157966.db2.gz	URGHOWXERPEVEG-QSLWVIQJSA-N	2	0	311.382	-1.122	20	0		DAADRP
Cn1cc2c(n1)[C@@H](CNC(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)OCC2	ZINC001219884694	780158753	/nfs/dbraw/zinc/15/87/53/780158753.db2.gz	AMPHPKJWIQTLQK-NWDGAFQWSA-N	2	0	305.382	-1.041	20	0		DAADRP
Cn1cc2c(n1)[C@H](CNC(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)OCC2	ZINC001219884695	780158857	/nfs/dbraw/zinc/15/88/57/780158857.db2.gz	AMPHPKJWIQTLQK-RYUDHWBXSA-N	2	0	305.382	-1.041	20	0		DAADRP
CC[C@H](C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1O)[NH+](C)C	ZINC001219875180	780159549	/nfs/dbraw/zinc/15/95/49/780159549.db2.gz	RDGSAXKRDXQRSG-LPWJVIDDSA-N	2	0	303.403	-1.505	20	0		DAADRP
CC[C@H](C(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1O)[NH+](C)C	ZINC001219875179	780159628	/nfs/dbraw/zinc/15/96/28/780159628.db2.gz	RDGSAXKRDXQRSG-LOWDOPEQSA-N	2	0	303.403	-1.505	20	0		DAADRP
CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1	ZINC001219891364	780160292	/nfs/dbraw/zinc/16/02/92/780160292.db2.gz	SOJIZEKWSURAAM-WHOFXGATSA-N	2	0	309.414	-1.526	20	0		DAADRP
CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1	ZINC001219891362	780160533	/nfs/dbraw/zinc/16/05/33/780160533.db2.gz	SOJIZEKWSURAAM-LNSITVRQSA-N	2	0	309.414	-1.526	20	0		DAADRP
CS(=O)(=O)N(C(=O)[C@H]1C[NH2+]CCN1)c1ccc(C[NH3+])cc1	ZINC001219938734	780164271	/nfs/dbraw/zinc/16/42/71/780164271.db2.gz	BQZUHSXSSOYZMI-GFCCVEGCSA-N	2	0	312.395	-1.001	20	0		DAADRP
NOCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC001219969856	780167208	/nfs/dbraw/zinc/16/72/08/780167208.db2.gz	ONRBXBRXCMNWHX-QWRGUYRKSA-N	2	0	301.391	-1.560	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCCc1c[nH][nH]c1=O	ZINC001219969479	780168082	/nfs/dbraw/zinc/16/80/82/780168082.db2.gz	BIAZAGFQERVWSZ-PWSUYJOCSA-N	2	0	310.402	-1.635	20	0		DAADRP
CCn1c(N)c(NC(=O)[C@@H]([NH3+])CCC[NH3+])c(=O)n(CC)c1=O	ZINC001219971795	780168174	/nfs/dbraw/zinc/16/81/74/780168174.db2.gz	BLEKNGQUDADJOP-QMMMGPOBSA-N	2	0	312.374	-1.363	20	0		DAADRP
COC(=O)C1(NC(=O)[C@H]([NH3+])CCCNC(N)=O)CC[NH2+]CC1	ZINC001219999071	780168799	/nfs/dbraw/zinc/16/87/99/780168799.db2.gz	JNTAKRQAORHVGU-SECBINFHSA-N	2	0	315.374	-1.826	20	0		DAADRP
Cn1c(=O)[nH]c(=O)c(N=O)c1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2	ZINC001219984611	780169414	/nfs/dbraw/zinc/16/94/14/780169414.db2.gz	QMYDUPRPJRZNIT-ZCFIWIBFSA-N	2	0	308.298	-1.369	20	0		DAADRP
COC(=O)C1(NC(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])CC[NH2+]CC1	ZINC001220001204	780169517	/nfs/dbraw/zinc/16/95/17/780169517.db2.gz	LIWOYQHBBDDWOH-IUCAKERBSA-N	2	0	300.359	-1.750	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCC[C@H]1CCC[N@H+](C)C1	ZINC001219980507	780169523	/nfs/dbraw/zinc/16/95/23/780169523.db2.gz	JLFVRMJGLKUZPG-TUAOUCFPSA-N	2	0	300.403	-1.341	20	0		DAADRP
CS(=O)(=O)N1CC(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1	ZINC001220145512	780186603	/nfs/dbraw/zinc/18/66/03/780186603.db2.gz	FQJSECQSUCXRIP-NSHDSACASA-N	2	0	319.431	-2.503	20	0		DAADRP
COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1	ZINC001220230994	780192975	/nfs/dbraw/zinc/19/29/75/780192975.db2.gz	WKXIHFHAROKKCD-XQQFMLRXSA-N	2	0	315.414	-1.503	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC(C)(C)C[NH+](C)C	ZINC001220254412	780197251	/nfs/dbraw/zinc/19/72/51/780197251.db2.gz	PNSOCTYZOGOZGS-UWVGGRQHSA-N	2	0	315.418	-1.602	20	0		DAADRP
Cn1ccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cc1=O	ZINC001220271579	780198709	/nfs/dbraw/zinc/19/87/09/780198709.db2.gz	AYHUVYOSEZUNRL-KGLIPLIRSA-N	2	0	322.409	-1.002	20	0		DAADRP
NC(=O)NCCC[C@H]([NH3+])C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2	ZINC001220315202	780201348	/nfs/dbraw/zinc/20/13/48/780201348.db2.gz	AOAUSPIQEVMWAR-MJVIPROJSA-N	2	0	313.402	-1.211	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1ncn2c1C[NH2+]CCC2	ZINC001220312654	780201391	/nfs/dbraw/zinc/20/13/91/780201391.db2.gz	AIZSXXVMTKBVLW-NSHDSACASA-N	2	0	320.397	-1.139	20	0		DAADRP
O=C(NCc1ncn2c1C[NH2+]CCC2)[C@H]1NC(=O)CC12C[NH2+]C2	ZINC001220310757	780201814	/nfs/dbraw/zinc/20/18/14/780201814.db2.gz	FVYUTQYAIFGJBZ-CYBMUJFWSA-N	2	0	318.381	-1.529	20	0		DAADRP
O=C(NCc1ncn2c1C[NH2+]CCC2)[C@@H]1NC(=O)CC12C[NH2+]C2	ZINC001220310758	780202121	/nfs/dbraw/zinc/20/21/21/780202121.db2.gz	FVYUTQYAIFGJBZ-ZDUSSCGKSA-N	2	0	318.381	-1.529	20	0		DAADRP
Cc1cc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)n(N)c(=O)c1	ZINC001220323066	780202623	/nfs/dbraw/zinc/20/26/23/780202623.db2.gz	CBIVHODLOCHIGO-LLVKDONJSA-N	2	0	308.386	-1.441	20	0		DAADRP
O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@H]1COC2(C[NH2+]C2)CN1	ZINC001220317225	780203284	/nfs/dbraw/zinc/20/32/84/780203284.db2.gz	WZMXNEFJCMEJRR-SCRDCRAPSA-N	2	0	310.398	-1.656	20	0		DAADRP
CNOCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC001220403438	780210126	/nfs/dbraw/zinc/21/01/26/780210126.db2.gz	QZKHYYYPVVJOGQ-RYUDHWBXSA-N	2	0	315.418	-1.299	20	0		DAADRP
[NH3+]CCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)nn1	ZINC001220390361	780210257	/nfs/dbraw/zinc/21/02/57/780210257.db2.gz	ZYUBNHMQLZCULF-GFCCVEGCSA-N	2	0	308.386	-1.004	20	0		DAADRP
[NH3+]CCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)nn1	ZINC001220390362	780210673	/nfs/dbraw/zinc/21/06/73/780210673.db2.gz	ZYUBNHMQLZCULF-LBPRGKRZSA-N	2	0	308.386	-1.004	20	0		DAADRP
O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2	ZINC001220428696	780213590	/nfs/dbraw/zinc/21/35/90/780213590.db2.gz	CMBCFOSVXIJZCG-VXGBXAGGSA-N	2	0	320.397	-1.366	20	0		DAADRP
O=C(NC[C@@H]1COCC[NH2+]1)c1cnc(N2CC[NH2+]CC2)cn1	ZINC001220431583	780213881	/nfs/dbraw/zinc/21/38/81/780213881.db2.gz	KJNZNGRQPZDWLL-LLVKDONJSA-N	2	0	306.370	-1.396	20	0		DAADRP
O=C(NC[C@H]1COCC[NH2+]1)c1cnc(N2CC[NH2+]CC2)cn1	ZINC001220431584	780214168	/nfs/dbraw/zinc/21/41/68/780214168.db2.gz	KJNZNGRQPZDWLL-NSHDSACASA-N	2	0	306.370	-1.396	20	0		DAADRP
CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC001220428891	780214552	/nfs/dbraw/zinc/21/45/52/780214552.db2.gz	HDEOHQZOIYEQCH-TUAOUCFPSA-N	2	0	300.403	-1.031	20	0		DAADRP
O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2	ZINC001220429434	780214597	/nfs/dbraw/zinc/21/45/97/780214597.db2.gz	RMGIQPLFBSFUTM-QWRGUYRKSA-N	2	0	321.385	-1.971	20	0		DAADRP
CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CCN3)O1	ZINC001220481584	780218186	/nfs/dbraw/zinc/21/81/86/780218186.db2.gz	KTFPHMANTIBSAE-HVNMYJMUSA-N	2	0	312.414	-1.221	20	0		DAADRP
CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C2(N)CC[NH2+]CC2)O1	ZINC001220481754	780218253	/nfs/dbraw/zinc/21/82/53/780218253.db2.gz	PYCYRQKSHRZPDU-IJLUTSLNSA-N	2	0	300.403	-1.092	20	0		DAADRP
CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)O1	ZINC001220481224	780218303	/nfs/dbraw/zinc/21/83/03/780218303.db2.gz	AFTRJBDHQWAUCN-HKUMRIAESA-N	3	0	312.414	-1.364	20	0		DAADRP
CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)O1	ZINC001220481222	780218355	/nfs/dbraw/zinc/21/83/55/780218355.db2.gz	AFTRJBDHQWAUCN-BYNQJWBRSA-N	3	0	312.414	-1.364	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]([NH3+])c1ccccc1	ZINC001220504247	780219677	/nfs/dbraw/zinc/21/96/77/780219677.db2.gz	WIHOCWYGLVMBOM-DLOVCJGASA-N	2	0	321.381	-1.490	20	0		DAADRP
CN(CC(=O)NCCOCCOCC[NH3+])[C@H]1CCC[NH2+]C1	ZINC001220519163	780221074	/nfs/dbraw/zinc/22/10/74/780221074.db2.gz	DRZKZFJTXGIZHW-ZDUSSCGKSA-N	2	0	302.419	-1.222	20	0		DAADRP
CN(CC[NH3+])CCNC(=O)[C@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1	ZINC001220515759	780221178	/nfs/dbraw/zinc/22/11/78/780221178.db2.gz	JUFUJCGDQUSMPL-CYBMUJFWSA-N	3	0	313.446	-1.554	20	0		DAADRP
[NH3+]CCOCCOCCNC(=O)[C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21	ZINC001220519234	780222077	/nfs/dbraw/zinc/22/20/77/780222077.db2.gz	HIWCZBXURGFUDZ-UPJWGTAASA-N	2	0	301.387	-1.281	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC[NH2+]C1	ZINC001220521523	780222427	/nfs/dbraw/zinc/22/24/27/780222427.db2.gz	HQXAZVANOPKRDD-NSHDSACASA-N	3	0	308.382	-1.278	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)CC[NH2+]C1	ZINC001220521972	780222470	/nfs/dbraw/zinc/22/24/70/780222470.db2.gz	WAOMRGDTTIANJL-MEBBXXQBSA-N	3	0	308.382	-1.135	20	0		DAADRP
[NH3+]CCOCCOCCNC(=O)C1=NO[C@@]2(CC[NH2+]C2)C1	ZINC001220519535	780223276	/nfs/dbraw/zinc/22/32/76/780223276.db2.gz	RFGHPSAJPSOKFV-ZDUSSCGKSA-N	2	0	300.359	-1.397	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CSCC[NH3+])CC[NH2+]C1	ZINC001220523777	780223419	/nfs/dbraw/zinc/22/34/19/780223419.db2.gz	UBZMOXRQBVPRNM-JTQLQIEISA-N	2	0	316.427	-1.068	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)c2nnn3c2CNCC3)CC[NH2+]C1	ZINC001220525623	780223482	/nfs/dbraw/zinc/22/34/82/780223482.db2.gz	MERJYLQCYNKABS-UHFFFAOYSA-N	2	0	320.353	-1.078	20	0		DAADRP
CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NCCOCCOCC[NH3+]	ZINC001220519336	780223554	/nfs/dbraw/zinc/22/35/54/780223554.db2.gz	KLJGNKNFWPYNEY-NWDGAFQWSA-N	2	0	303.359	-1.754	20	0		DAADRP
[NH3+]CCOCCOCCNC(=O)C1=NO[C@]2(CC[NH2+]C2)C1	ZINC001220519534	780223570	/nfs/dbraw/zinc/22/35/70/780223570.db2.gz	RFGHPSAJPSOKFV-CYBMUJFWSA-N	2	0	300.359	-1.397	20	0		DAADRP
CCOC(=O)CN(CC[NH3+])C(=O)[C@H](CCCC[NH3+])NC(C)=O	ZINC001220585269	780232161	/nfs/dbraw/zinc/23/21/61/780232161.db2.gz	FFPWSXSJBLYBSJ-LBPRGKRZSA-N	2	0	316.402	-1.030	20	0		DAADRP
CCOC(=O)CN(CC[NH3+])C(=O)[C@H](CC(C)C)NC(=O)C[NH3+]	ZINC001220583731	780232294	/nfs/dbraw/zinc/23/22/94/780232294.db2.gz	WKEKBEDXCOSLSG-NSHDSACASA-N	2	0	316.402	-1.174	20	0		DAADRP
CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O	ZINC001220688720	780239406	/nfs/dbraw/zinc/23/94/06/780239406.db2.gz	OCPZIDNTAHVONB-OLZOCXBDSA-N	2	0	303.403	-1.502	20	0		DAADRP
CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@@H]1O	ZINC001220688924	780241003	/nfs/dbraw/zinc/24/10/03/780241003.db2.gz	WEDSTUXYCPFDPI-UPJWGTAASA-N	2	0	303.403	-1.503	20	0		DAADRP
C[C@H]1COCCN1CCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001220724123	780242740	/nfs/dbraw/zinc/24/27/40/780242740.db2.gz	DZLHPXLXCUIQAR-GXTWGEPZSA-N	2	0	313.446	-1.426	20	0		DAADRP
COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1	ZINC001220771866	780246563	/nfs/dbraw/zinc/24/65/63/780246563.db2.gz	FGSTVHHPOQELRK-QWHCGFSZSA-N	2	0	323.397	-1.053	20	0		DAADRP
COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2	ZINC001220770492	780247453	/nfs/dbraw/zinc/24/74/53/780247453.db2.gz	XQGIHURZQHMSEE-NEPJUHHUSA-N	2	0	321.381	-1.571	20	0		DAADRP
O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@@H]1COC2(C[NH2+]C2)CN1	ZINC001220800019	780249154	/nfs/dbraw/zinc/24/91/54/780249154.db2.gz	KIVHLRRHSXRTJY-AEJSXWLSSA-N	2	0	322.331	-1.027	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[NH2+]C1	ZINC001220829927	780250012	/nfs/dbraw/zinc/25/00/12/780250012.db2.gz	GHUQJWRVUSPBIE-JTQLQIEISA-N	2	0	310.354	-1.609	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CCCNC(N)=O)C[NH2+]C1	ZINC001220827673	780250016	/nfs/dbraw/zinc/25/00/16/780250016.db2.gz	XINOGLBUFYUYMU-VIFPVBQESA-N	2	0	313.358	-1.701	20	0		DAADRP
CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@@H]1O	ZINC001220826293	780250333	/nfs/dbraw/zinc/25/03/33/780250333.db2.gz	WPFSGZLLVFLANV-MCIONIFRSA-N	2	0	317.430	-1.113	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@@H]1O	ZINC001220830633	780250643	/nfs/dbraw/zinc/25/06/43/780250643.db2.gz	FMVXVNRKSSUAPV-UPJWGTAASA-N	2	0	314.430	-1.034	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@@H]1O	ZINC001220830804	780251394	/nfs/dbraw/zinc/25/13/94/780251394.db2.gz	JABPRTLAJUYBGF-UPJWGTAASA-N	2	0	312.414	-1.280	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])C[NH2+]C1	ZINC001220827910	780251516	/nfs/dbraw/zinc/25/15/16/780251516.db2.gz	CKZXRVPKYWQIRD-CABZTGNLSA-N	2	0	324.381	-1.139	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCN1CCNCC1=O	ZINC001220875087	780253981	/nfs/dbraw/zinc/25/39/81/780253981.db2.gz	SCHBMBQQJOUUBL-GFCCVEGCSA-N	2	0	312.418	-2.715	20	0		DAADRP
O=C(NCCN1CCNCC1=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1	ZINC001220872094	780255477	/nfs/dbraw/zinc/25/54/77/780255477.db2.gz	KCYJXNMPENTVNG-GFCCVEGCSA-N	2	0	309.414	-1.591	20	0		DAADRP
C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCN(CC[NH3+])N(O)N=O	ZINC001220900275	780256786	/nfs/dbraw/zinc/25/67/86/780256786.db2.gz	FXVZHSQMKYNFKS-JTQLQIEISA-N	3	0	305.383	-1.632	20	0		DAADRP
[NH3+]CCN(CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2)N(O)N=O	ZINC001220901066	780257029	/nfs/dbraw/zinc/25/70/29/780257029.db2.gz	SJVUEUUIXXIFCQ-GXSJLCMTSA-N	2	0	301.351	-2.398	20	0		DAADRP
C[S@@](=O)CC[C@H]([NH3+])C(=O)NCCN(CC[NH3+])N(O)N=O	ZINC001220903499	780257922	/nfs/dbraw/zinc/25/79/22/780257922.db2.gz	SXIWBRYUGGTPDE-FFVOIRBGSA-N	2	0	310.380	-2.253	20	0		DAADRP
CS(=O)(=O)N1CCC(CNC(=O)C[NH2+]CCC[NH3+])CC1	ZINC001220926192	780257995	/nfs/dbraw/zinc/25/79/95/780257995.db2.gz	ANEYLXHIZXJGIH-UHFFFAOYSA-N	2	0	306.432	-1.287	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)NCCO[C@H]1CC[NH2+]C1	ZINC001220936176	780260224	/nfs/dbraw/zinc/26/02/24/780260224.db2.gz	DBSUQTCSWVKVEZ-JTQLQIEISA-N	2	0	308.404	-2.299	20	0		DAADRP
O=C(NCCO[C@H]1CC[NH2+]C1)[C@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001220936751	780260967	/nfs/dbraw/zinc/26/09/67/780260967.db2.gz	IRWKCJUQOKMHNH-NWDGAFQWSA-N	2	0	310.398	-1.403	20	0		DAADRP
[NH3+][C@H]1CC[C@H](N(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C2COC2)CC1	ZINC001220930915	780260994	/nfs/dbraw/zinc/26/09/94/780260994.db2.gz	UXLOGZIOUBVGFT-YRGRVCCFSA-N	2	0	324.425	-1.186	20	0		DAADRP
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1	ZINC001221007174	780268124	/nfs/dbraw/zinc/26/81/24/780268124.db2.gz	YQBYSNXNSLEKQK-LPWJVIDDSA-N	2	0	312.414	-1.328	20	0		DAADRP
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2[NH2+]CC[C@H]2O)CC1	ZINC001221006306	780268214	/nfs/dbraw/zinc/26/82/14/780268214.db2.gz	DREKYZZALAYROH-BYNQJWBRSA-N	2	0	312.414	-1.186	20	0		DAADRP
COCCC1([NH3+])CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC1	ZINC001221137008	780277628	/nfs/dbraw/zinc/27/76/28/780277628.db2.gz	ZFZBHHAQLPAGSS-QWRGUYRKSA-N	2	0	316.402	-1.833	20	0		DAADRP
COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+]	ZINC001221188123	780281651	/nfs/dbraw/zinc/28/16/51/780281651.db2.gz	OQXDQRHGRKJWED-DCAQKATOSA-N	2	0	314.386	-1.279	20	0		DAADRP
COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1	ZINC001221190195	780284377	/nfs/dbraw/zinc/28/43/77/780284377.db2.gz	FFNNZHSDUJBAGC-NEPJUHHUSA-N	3	0	315.418	-1.867	20	0		DAADRP
O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2	ZINC001221367225	780291979	/nfs/dbraw/zinc/29/19/79/780291979.db2.gz	NVOQVPFFOUOXFB-IVZWLZJFSA-N	2	0	305.375	-1.421	20	0		DAADRP
O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2	ZINC001221367123	780293102	/nfs/dbraw/zinc/29/31/02/780293102.db2.gz	XOROJUNUIYTHQE-HBNTYKKESA-N	2	0	323.376	-1.260	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H](C1CCC1)C1C[NH2+]C1	ZINC001221411029	780295238	/nfs/dbraw/zinc/29/52/38/780295238.db2.gz	TYQXCXZNPIGPPY-ZDUSSCGKSA-N	2	0	318.443	-1.289	20	0		DAADRP
Cn1cc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c(=O)n(C)c1=O	ZINC001222099538	780307389	/nfs/dbraw/zinc/30/73/89/780307389.db2.gz	GZFPBMNOIKPBHP-UHFFFAOYSA-N	2	0	307.398	-1.389	20	0		DAADRP
O=C1CN(Cc2cnc3n2CC[NH2+]CC3)[C@@]2(CC[NH2+]C2)CN1	ZINC001222374732	780311854	/nfs/dbraw/zinc/31/18/54/780311854.db2.gz	WFJKUCYPIQOGLA-OAHLLOKOSA-N	2	0	304.398	-1.307	20	0		DAADRP
CN(C[C@H]1CCN1CCOCCO)C(=O)[C@H]1CN(C)CCO1	ZINC001231368820	780380889	/nfs/dbraw/zinc/38/08/89/780380889.db2.gz	OMPUDKGSNXUSMN-ZIAGYGMSSA-N	2	0	315.414	-1.141	20	0		DAADRP
NC(=O)[C@H]1CN(Cc2cccc(C(=O)NCC[NH3+])c2)CC[NH2+]1	ZINC001235754431	780418816	/nfs/dbraw/zinc/41/88/16/780418816.db2.gz	NDBDPVBPRFBCPE-CYBMUJFWSA-N	2	0	305.382	-1.366	20	0		DAADRP
c1nc2n(c1CN1CC[NH2+]CCNCC[NH2+]CC1)CC[NH2+]CC2	ZINC001235870268	780420565	/nfs/dbraw/zinc/42/05/65/780420565.db2.gz	JKBWUGGQPGYGLE-UHFFFAOYSA-N	3	0	321.473	-1.387	20	0		DAADRP
O=C(NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O)C12CC[NH+](CC1)C2	ZINC001278178392	780433976	/nfs/dbraw/zinc/43/39/76/780433976.db2.gz	FSBCHLVYMMJIRJ-QWRGUYRKSA-N	2	0	324.381	-2.046	20	0		DAADRP
O=S(=O)(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1CC[NH2+]C1	ZINC001238328715	780436301	/nfs/dbraw/zinc/43/63/01/780436301.db2.gz	TYRIAKPVFHZCAT-FRRDWIJNSA-N	2	0	319.427	-1.337	20	0		DAADRP
COC(=O)C1(NS(=O)(=O)C2CC[NH2+]CC2)CC[NH2+]CC1	ZINC001238395114	780436361	/nfs/dbraw/zinc/43/63/61/780436361.db2.gz	UNZZVBBSPCZHMC-UHFFFAOYSA-N	2	0	305.400	-1.047	20	0		DAADRP
O=C1C[C@@H]2[NH2+]CC[C@@]2(NS(=O)(=O)CC2CC[NH2+]CC2)N1	ZINC001238334578	780436433	/nfs/dbraw/zinc/43/64/33/780436433.db2.gz	YYHQLIAVISBRPP-JQWIXIFHSA-N	2	0	302.400	-1.517	20	0		DAADRP
O=S(=O)(NCc1nnn2c1C[NH2+]CCC2)[C@@H]1CC[NH2+]C1	ZINC001238247800	780436620	/nfs/dbraw/zinc/43/66/20/780436620.db2.gz	OBBKHQQGKDXYTM-SECBINFHSA-N	2	0	300.388	-1.447	20	0		DAADRP
CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)[C@H]1CC[NH2+]C1	ZINC001238411861	780436995	/nfs/dbraw/zinc/43/69/95/780436995.db2.gz	HGONGJCSYIQRBX-AXFHLTTASA-N	2	0	305.400	-1.191	20	0		DAADRP
COC(=O)[C@H](NS(=O)(=O)C1CC[NH2+]CC1)[C@H]1CC[NH2+]C1	ZINC001238898257	780438909	/nfs/dbraw/zinc/43/89/09/780438909.db2.gz	PQTCJNQJGFDUHM-GXSJLCMTSA-N	2	0	305.400	-1.191	20	0		DAADRP
COC(=O)[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)C1CC[NH2+]CC1	ZINC001238713424	780439501	/nfs/dbraw/zinc/43/95/01/780439501.db2.gz	KSAGCXDVKDSZGE-MNOVXSKESA-N	2	0	305.400	-1.191	20	0		DAADRP
[NH3+]CCS(=O)(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001239048090	780440724	/nfs/dbraw/zinc/44/07/24/780440724.db2.gz	XHKSHOVHSVBKOF-UHFFFAOYSA-N	2	0	300.388	-1.539	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1S(=O)(=O)[C@H]1CC[NH2+]C1	ZINC001239063772	780440875	/nfs/dbraw/zinc/44/08/75/780440875.db2.gz	XUUSYBLMVOSRSL-FIQHERPVSA-N	2	0	317.411	-1.097	20	0		DAADRP
O=S(=O)([C@@H]1CC[NH2+]C1)N1CCOC[C@]2(C[NH2+]CCO2)C1	ZINC001238999241	780441053	/nfs/dbraw/zinc/44/10/53/780441053.db2.gz	HZOKQWFOGFEHHM-NEPJUHHUSA-N	2	0	305.400	-1.631	20	0		DAADRP
O=C1NCC[C@]12CN(S(=O)(=O)[C@@H]1CC[NH2+]C1)CC21C[NH2+]C1	ZINC001239014899	780441128	/nfs/dbraw/zinc/44/11/28/780441128.db2.gz	ZOVDBENQKUVDLU-MFKMUULPSA-N	2	0	314.411	-1.910	20	0		DAADRP
O=C1CN(S(=O)(=O)C2CC[NH2+]CC2)[C@]2(CC[NH2+]C2)CN1	ZINC001239006681	780441201	/nfs/dbraw/zinc/44/12/01/780441201.db2.gz	YNVGBQOIKHTYOZ-LBPRGKRZSA-N	2	0	302.400	-1.768	20	0		DAADRP
COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(S(=O)(=O)CC[NH3+])C2	ZINC001239064325	780442688	/nfs/dbraw/zinc/44/26/88/780442688.db2.gz	JBQKADTVNNMBBA-XZUYRWCXSA-N	2	0	317.411	-1.395	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)C(F)F	ZINC001239132085	780443906	/nfs/dbraw/zinc/44/39/06/780443906.db2.gz	ZIMSTJKNKOBVTC-UHFFFAOYSA-N	2	0	302.347	-1.345	20	0		DAADRP
CCOCCS(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+]	ZINC001239131595	780443998	/nfs/dbraw/zinc/44/39/98/780443998.db2.gz	RSKAQBJTUYYCFN-UHFFFAOYSA-N	2	0	324.447	-1.532	20	0		DAADRP
COC(=O)[C@H](C)NC(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+]	ZINC001239299826	780444022	/nfs/dbraw/zinc/44/40/22/780444022.db2.gz	PKPAXQQAIRPCBB-JTQLQIEISA-N	2	0	317.390	-1.627	20	0		DAADRP
COC(=O)[C@@]1(N)CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1	ZINC001239129804	780444030	/nfs/dbraw/zinc/44/40/30/780444030.db2.gz	PXSBJGQCPWFTOB-GFCCVEGCSA-N	2	0	305.400	-1.108	20	0		DAADRP
COCCNC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+]	ZINC001239452433	780444894	/nfs/dbraw/zinc/44/48/94/780444894.db2.gz	PNXSZHCXOORZJO-UHFFFAOYSA-N	2	0	305.448	-1.377	20	0		DAADRP
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1NC[C@@H](O)CC1(O)CC[NH2+]CC1	ZINC001246002858	780447695	/nfs/dbraw/zinc/44/76/95/780447695.db2.gz	SMGPGAYBDKLADG-YNEHKIRRSA-N	2	0	315.414	-1.407	20	0		DAADRP
O[C@@H](C[NH2+]C1CN(C2CC[NH2+]CC2)C1)CC1(O)CC[NH2+]CC1	ZINC001245990062	780447709	/nfs/dbraw/zinc/44/77/09/780447709.db2.gz	ORSDEEZYLZPHHB-OAHLLOKOSA-N	3	0	312.458	-1.122	20	0		DAADRP
COC(=O)[C@H]1C[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CCN1	ZINC001246039477	780447833	/nfs/dbraw/zinc/44/78/33/780447833.db2.gz	MWWGFWOEGWJEHI-NWDGAFQWSA-N	2	0	301.387	-1.701	20	0		DAADRP
O[C@H](C[NH2+]C1CN(C2CC[NH2+]CC2)C1)CC1(O)CC[NH2+]CC1	ZINC001245990060	780447951	/nfs/dbraw/zinc/44/79/51/780447951.db2.gz	ORSDEEZYLZPHHB-HNNXBMFYSA-N	3	0	312.458	-1.122	20	0		DAADRP
O=C1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)[C@@]2(CC[NH2+]C2)CN1	ZINC001246021027	780447987	/nfs/dbraw/zinc/44/79/87/780447987.db2.gz	DKYJBEFEDYMFOY-TZMCWYRMSA-N	2	0	312.414	-1.984	20	0		DAADRP
COC(=O)C1(NC[C@H](O)CC2(O)CC[NH2+]CC2)CC[NH2+]CC1	ZINC001245987908	780448151	/nfs/dbraw/zinc/44/81/51/780448151.db2.gz	MXXCRDJYQOJTNG-GFCCVEGCSA-N	2	0	315.414	-1.263	20	0		DAADRP
COC(=O)[C@@H]1C[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CCN1	ZINC001246039476	780448299	/nfs/dbraw/zinc/44/82/99/780448299.db2.gz	MWWGFWOEGWJEHI-NEPJUHHUSA-N	2	0	301.387	-1.701	20	0		DAADRP
CCOC(=O)C1=C(NC[C@@H](O)CC2(O)CC[NH2+]CC2)C[NH2+]C1	ZINC001246010999	780448474	/nfs/dbraw/zinc/44/84/74/780448474.db2.gz	PKQLTVREXNBNPD-NSHDSACASA-N	2	0	313.398	-1.138	20	0		DAADRP
COC(=O)[C@@H]1C[C@@H]([NH3+])CN(C[C@H](O)CC2(O)CC[NH2+]CC2)C1	ZINC001246054940	780449459	/nfs/dbraw/zinc/44/94/59/780449459.db2.gz	IYAUVVLDMSHYCY-JHJVBQTASA-N	2	0	315.414	-1.326	20	0		DAADRP
COC(=O)[C@]1(N)CC[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1	ZINC001246056444	780449563	/nfs/dbraw/zinc/44/95/63/780449563.db2.gz	VPGUEGDCPBYALS-RISCZKNCSA-N	2	0	301.387	-1.572	20	0		DAADRP
CC[NH+](CC)C[C@@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1	ZINC001246055932	780449777	/nfs/dbraw/zinc/44/97/77/780449777.db2.gz	MVPJYRITVAOZJE-OAHLLOKOSA-N	3	0	301.479	-1.227	20	0		DAADRP
O=C([C@@H]1C[C@@H](N[C@H]2CCOC23C[NH2+]C3)C[NH2+]1)N1CCSC1	ZINC001246129178	780450555	/nfs/dbraw/zinc/45/05/55/780450555.db2.gz	SVUKRRXWDZFERW-WOPDTQHZSA-N	2	0	312.439	-1.030	20	0		DAADRP
O=S(=O)(CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)N1CCNCC1	ZINC001246101524	780450652	/nfs/dbraw/zinc/45/06/52/780450652.db2.gz	QIFSAWDNOOCPHS-LBPRGKRZSA-N	2	0	317.459	-2.095	20	0		DAADRP
O=C([C@@H]1C[C@H](N[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[NH2+]1)N1CCSC1	ZINC001246140181	780450657	/nfs/dbraw/zinc/45/06/57/780450657.db2.gz	ZMWDMUWBOGKVGP-OBPIAQAESA-N	2	0	312.439	-1.174	20	0		DAADRP
O=S1(=O)CC[C@@H]([NH2+][C@@H]2CSC3(C[NH2+]C3)C2)C12CNC2	ZINC001246147029	780450665	/nfs/dbraw/zinc/45/06/65/780450665.db2.gz	PEDZZHFIXVDPFC-VHSXEESVSA-N	2	0	303.453	-1.047	20	0		DAADRP
O=C([C@@H]1C[C@@H](NCCN2CC[NH2+]CC2)C[NH2+]1)N1CCSC1	ZINC001246121000	780450797	/nfs/dbraw/zinc/45/07/97/780450797.db2.gz	VCOZCBPHZVMCOE-OLZOCXBDSA-N	2	0	313.471	-1.255	20	0		DAADRP
O=C([C@@H]1C[C@@H](N[C@@H]2CCOC23C[NH2+]C3)C[NH2+]1)N1CCSC1	ZINC001246129166	780450828	/nfs/dbraw/zinc/45/08/28/780450828.db2.gz	SVUKRRXWDZFERW-GRYCIOLGSA-N	2	0	312.439	-1.030	20	0		DAADRP
O=S1(=O)CC[C@H]([NH2+][C@@H]2CSC3(C[NH2+]C3)C2)C12CNC2	ZINC001246147028	780450840	/nfs/dbraw/zinc/45/08/40/780450840.db2.gz	PEDZZHFIXVDPFC-UWVGGRQHSA-N	2	0	303.453	-1.047	20	0		DAADRP
O=S(=O)(CC[NH2+][C@H]1CCC2(C[NH2+]C2)C1)N1CCNCC1	ZINC001246102911	780450877	/nfs/dbraw/zinc/45/08/77/780450877.db2.gz	UETFLQRNKVYMQV-LBPRGKRZSA-N	2	0	302.444	-1.047	20	0		DAADRP
O=C([C@@H]1C[C@@H](N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)C[NH2+]1)N1CCSC1	ZINC001246133518	780451077	/nfs/dbraw/zinc/45/10/77/780451077.db2.gz	JTXSDJBDOYEFQZ-UJPOAAIJSA-N	2	0	312.439	-1.174	20	0		DAADRP
O=C([C@@H]1C[C@@H]([NH2+]CCC2(O)C[NH2+]C2)CN1)N1CCSC1	ZINC001246109217	780451110	/nfs/dbraw/zinc/45/11/10/780451110.db2.gz	ADDPUFGHAMMBIA-MNOVXSKESA-N	2	0	300.428	-1.436	20	0		DAADRP
OCCOCCOCCOCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1	ZINC001246201326	780451148	/nfs/dbraw/zinc/45/11/48/780451148.db2.gz	GNYDKCBSMURGSL-AWEZNQCLSA-N	2	0	317.430	-1.288	20	0		DAADRP
O=S(=O)(CC[NH2+][C@H]1CSC2(C[NH2+]C2)C1)N1CCNCC1	ZINC001246102716	780451229	/nfs/dbraw/zinc/45/12/29/780451229.db2.gz	SPSNJYMDPKFDOL-LLVKDONJSA-N	2	0	320.484	-1.342	20	0		DAADRP
O=C([C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH2+]CC2)CN1)N1CCSC1	ZINC001246173328	780451366	/nfs/dbraw/zinc/45/13/66/780451366.db2.gz	LGXHKJUPXJTHHQ-NEPJUHHUSA-N	2	0	314.455	-1.046	20	0		DAADRP
O=C([C@@H]1C[C@@H](N[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[NH2+]1)N1CCSC1	ZINC001246140183	780451597	/nfs/dbraw/zinc/45/15/97/780451597.db2.gz	ZMWDMUWBOGKVGP-UJPOAAIJSA-N	2	0	312.439	-1.174	20	0		DAADRP
[NH3+]CCOCCOCCOCCOCCN[C@@H]1CC[NH2+]C1	ZINC001246211983	780452067	/nfs/dbraw/zinc/45/20/67/780452067.db2.gz	CERJHPDJLWIQDU-CQSZACIVSA-N	2	0	305.419	-1.037	20	0		DAADRP
O=C([C@@H]1C[C@@H](NC[C@]2(O)CCC[NH2+]C2)C[NH2+]1)N1CCSC1	ZINC001246226137	780452174	/nfs/dbraw/zinc/45/21/74/780452174.db2.gz	FRFWGLWISVRXKH-DYEKYZERSA-N	2	0	314.455	-1.046	20	0		DAADRP
O=C([C@@H]1C[C@@H](N[C@@]2(CO)CC[NH2+]C2)C[NH2+]1)N1CCSC1	ZINC001246286878	780452350	/nfs/dbraw/zinc/45/23/50/780452350.db2.gz	HZSUABGRAMUYCB-MDZLAQPJSA-N	2	0	300.428	-1.436	20	0		DAADRP
O=C([C@@H]1C[C@H](N[C@@H]2CC[NH2+]C[C@@H]2O)C[NH2+]1)N1CCSC1	ZINC001246217460	780452532	/nfs/dbraw/zinc/45/25/32/780452532.db2.gz	GSCIGAKMTYFATI-USZNOCQGSA-N	2	0	300.428	-1.438	20	0		DAADRP
O=C([C@@H]1C[C@H](NC[C@H]2COCC[NH2+]2)C[NH2+]1)N1CCSC1	ZINC001246278691	780452630	/nfs/dbraw/zinc/45/26/30/780452630.db2.gz	MAAZHEKVENDXBP-SRVKXCTJSA-N	2	0	300.428	-1.172	20	0		DAADRP
CN(CC[NH3+])CCN[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1	ZINC001246284834	780452784	/nfs/dbraw/zinc/45/27/84/780452784.db2.gz	PRMOXUSCNIHQIE-RYUDHWBXSA-N	2	0	301.460	-1.270	20	0		DAADRP
O=C([C@@H]1C[C@H](NC[C@@]2(O)CCC[NH2+]C2)C[NH2+]1)N1CCSC1	ZINC001246226140	780453166	/nfs/dbraw/zinc/45/31/66/780453166.db2.gz	FRFWGLWISVRXKH-SGMGOOAPSA-N	2	0	314.455	-1.046	20	0		DAADRP
O=C([C@@H]1C[C@@H](NC[C@@]2(O)CC[NH2+]C2)C[NH2+]1)N1CCSC1	ZINC001246217934	780453321	/nfs/dbraw/zinc/45/33/21/780453321.db2.gz	NTBQLAIYBMFHOR-NTZNESFSSA-N	2	0	300.428	-1.436	20	0		DAADRP
[NH3+]CCOCCOCCOCCOCCN[C@H]1CC[NH2+]C1	ZINC001246211965	780453325	/nfs/dbraw/zinc/45/33/25/780453325.db2.gz	CERJHPDJLWIQDU-AWEZNQCLSA-N	2	0	305.419	-1.037	20	0		DAADRP
O=C([C@@H]1C[C@H](N[C@H]2C[NH2+]C[C@@H]2CO)C[NH2+]1)N1CCSC1	ZINC001246311541	780453802	/nfs/dbraw/zinc/45/38/02/780453802.db2.gz	WTYCBMWNCQDXEG-RHYQMDGZSA-N	2	0	300.428	-1.580	20	0		DAADRP
O=C([C@@H]1C[C@@H](N[C@H]2CC[NH2+]C[C@@H]2O)C[NH2+]1)N1CCSC1	ZINC001246308563	780454164	/nfs/dbraw/zinc/45/41/64/780454164.db2.gz	GSCIGAKMTYFATI-RHYQMDGZSA-N	2	0	300.428	-1.438	20	0		DAADRP
O=C1NCC[C@@]12C[N@@H+]([C@H]1CCOC3(C[NH2+]C3)C1)CC21C[NH2+]C1	ZINC001246631304	780455371	/nfs/dbraw/zinc/45/53/71/780455371.db2.gz	WEWDYDVWKABRBI-BLLLJJGKSA-N	3	0	306.410	-1.081	20	0		DAADRP
[NH3+][C@@H]1C[C@H](O)CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1	ZINC001246541589	780455534	/nfs/dbraw/zinc/45/55/34/780455534.db2.gz	OYFFWTAJFPGSQF-RHYQMDGZSA-N	2	0	300.428	-1.356	20	0		DAADRP
O=C1NCC[C@]12C[N@@H+](C1C[C@@H]3COC[C@H](C1)N3)CC21C[NH2+]C1	ZINC001246630630	780455639	/nfs/dbraw/zinc/45/56/39/780455639.db2.gz	UJRUKKUAHUBYPP-GYVWXKFASA-N	2	0	306.410	-1.083	20	0		DAADRP
COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CCN1	ZINC001246627556	780455718	/nfs/dbraw/zinc/45/57/18/780455718.db2.gz	NAVVWFIBKUZQIK-MQIPJXDCSA-N	2	0	322.409	-1.309	20	0		DAADRP
O=C1NCC[C@]12C[N@@H+]([C@H]1CCOC3(C[NH2+]C3)C1)CC21C[NH2+]C1	ZINC001246631305	780455735	/nfs/dbraw/zinc/45/57/35/780455735.db2.gz	WEWDYDVWKABRBI-LRDDRELGSA-N	3	0	306.410	-1.081	20	0		DAADRP
C[C@@H]1C[C@H]([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CC[NH2+]1	ZINC001246524125	780455752	/nfs/dbraw/zinc/45/57/52/780455752.db2.gz	JQGCUSBFJJYDNA-DSAGSKJYSA-N	2	0	304.387	-1.439	20	0		DAADRP
[NH3+][C@@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[C@H]1O	ZINC001246569257	780455762	/nfs/dbraw/zinc/45/57/62/780455762.db2.gz	CNQMVJRFPNWNTH-WISYIIOYSA-N	2	0	300.428	-1.356	20	0		DAADRP
O=C([C@@H]1C[C@@H](N2CC[NH2+][C@@H](CO)C2)C[NH2+]1)N1CCSC1	ZINC001246796246	780456791	/nfs/dbraw/zinc/45/67/91/780456791.db2.gz	LISQNSLVENXXNB-UTUOFQBUSA-N	2	0	300.428	-1.484	20	0		DAADRP
O=C([C@@H]1C[C@H](N2CCO[C@H]3C[NH2+]C[C@H]32)C[NH2+]1)N1CCSC1	ZINC001246666975	780456876	/nfs/dbraw/zinc/45/68/76/780456876.db2.gz	WPJHYKLMHITVCG-RVMXOQNASA-N	2	0	312.439	-1.078	20	0		DAADRP
CNC(=O)CN1CCO[C@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21	ZINC001246727648	780457165	/nfs/dbraw/zinc/45/71/65/780457165.db2.gz	CXFCYEJNIFTWOR-MJBXVCDLSA-N	2	0	323.441	-1.789	20	0		DAADRP
O=C([C@@H]1C[C@H](N2CC[NH2+]C[C@H]2CO)C[NH2+]1)N1CCSC1	ZINC001246700280	780457185	/nfs/dbraw/zinc/45/71/85/780457185.db2.gz	PIKPHCWRCNURKW-SRVKXCTJSA-N	2	0	300.428	-1.484	20	0		DAADRP
O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1CCO[C@H]1CC[NH2+]C1)O3	ZINC001247007806	780458250	/nfs/dbraw/zinc/45/82/50/780458250.db2.gz	GDSDNCFOGCWIFY-RNJOBUHISA-N	2	0	317.411	-1.490	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])[C@H]1CCS(=O)(=O)C1	ZINC001246921966	780458324	/nfs/dbraw/zinc/45/83/24/780458324.db2.gz	UCTUVTDYULGMQV-NSHDSACASA-N	2	0	306.432	-1.711	20	0		DAADRP
[NH3+][C@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC12COC2	ZINC001246985856	780458510	/nfs/dbraw/zinc/45/85/10/780458510.db2.gz	BZTJXQPUFDRPFY-WOPDTQHZSA-N	2	0	312.439	-1.091	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCOCCO)C1	ZINC001278766327	780484183	/nfs/dbraw/zinc/48/41/83/780484183.db2.gz	IVIGRIJZQJOTCY-UKRRQHHQSA-N	2	0	315.414	-1.358	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)CC[NH+](C)C	ZINC001278804973	780490577	/nfs/dbraw/zinc/49/05/77/780490577.db2.gz	VKXWRXRUMXHINR-QWRGUYRKSA-N	2	0	314.386	-1.848	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)CC[NH+](C)C	ZINC001278804969	780491108	/nfs/dbraw/zinc/49/11/08/780491108.db2.gz	VKXWRXRUMXHINR-GHMZBOCLSA-N	2	0	314.386	-1.848	20	0		DAADRP
C[NH+]1CCN(C[C@H](O)C[NH2+]CCN2CCCOCC2)CC1	ZINC001261436417	780541466	/nfs/dbraw/zinc/54/14/66/780541466.db2.gz	AVPQBTIOZVFDLN-OAHLLOKOSA-N	2	0	300.447	-1.093	20	0		DAADRP
C[NH2+]C1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1	ZINC001261559021	780548210	/nfs/dbraw/zinc/54/82/10/780548210.db2.gz	XWMQPIICFURCIT-QWHCGFSZSA-N	2	0	310.398	-1.526	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1	ZINC001261838622	780560698	/nfs/dbraw/zinc/56/06/98/780560698.db2.gz	LIECAXXYYIMDHD-GFCCVEGCSA-N	2	0	300.403	-1.170	20	0		DAADRP
COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCN1C	ZINC001262262393	780569315	/nfs/dbraw/zinc/56/93/15/780569315.db2.gz	NDKWJPUFQOXZDO-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
[NH3+]C1(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1	ZINC001262547666	780573940	/nfs/dbraw/zinc/57/39/40/780573940.db2.gz	AMCZQIAYRBBZCJ-GFCCVEGCSA-N	2	0	310.398	-1.037	20	0		DAADRP
O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCNCC[NH2+]CC1	ZINC001262544793	780574177	/nfs/dbraw/zinc/57/41/77/780574177.db2.gz	KPXBHLWEUVUVIB-ZIAGYGMSSA-N	2	0	323.441	-1.249	20	0		DAADRP
O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCNCC[NH2+]CC1	ZINC001262544792	780574667	/nfs/dbraw/zinc/57/46/67/780574667.db2.gz	KPXBHLWEUVUVIB-UONOGXRCSA-N	2	0	323.441	-1.249	20	0		DAADRP
O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCNCC[NH2+]CC1	ZINC001262544790	780574701	/nfs/dbraw/zinc/57/47/01/780574701.db2.gz	KPXBHLWEUVUVIB-KBPBESRZSA-N	2	0	323.441	-1.249	20	0		DAADRP
CC(C)N1C(=O)C[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1=O	ZINC001262570642	780575030	/nfs/dbraw/zinc/57/50/30/780575030.db2.gz	AUGMXSVALVBVJB-STQMWFEESA-N	2	0	312.414	-1.280	20	0		DAADRP
CN(CCC[NH+](C)C)CCNC(=O)[C@@]1(C(=O)[O-])C[NH2+]CCO1	ZINC001263155165	780576864	/nfs/dbraw/zinc/57/68/64/780576864.db2.gz	NFTKTAPMZWYHTL-CQSZACIVSA-N	2	0	316.402	-1.571	20	0		DAADRP
C[NH+](C)CCN1CC[NH+](C[C@H](O)CN2CCOCC2)CC1	ZINC000384438191	780580327	/nfs/dbraw/zinc/58/03/27/780580327.db2.gz	JNEFVEYRJFDJBF-HNNXBMFYSA-N	2	0	300.447	-1.141	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1	ZINC001265570311	780604725	/nfs/dbraw/zinc/60/47/25/780604725.db2.gz	YQNRFDXBACLQPI-UTUOFQBUSA-N	2	0	318.443	-1.276	20	0		DAADRP
CCNC(=O)C[NH2+]CCN(CCO)C(=O)C1CC[NH+](C)CC1	ZINC001279821341	780628623	/nfs/dbraw/zinc/62/86/23/780628623.db2.gz	WWEAIAVJDVEDAB-UHFFFAOYSA-N	2	0	314.430	-1.125	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O	ZINC001283790914	780776663	/nfs/dbraw/zinc/77/66/63/780776663.db2.gz	BQHPHTQEGLGGHV-GHMZBOCLSA-N	2	0	322.431	-2.304	20	0		DAADRP
CN(CCOCC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001284877635	780843326	/nfs/dbraw/zinc/84/33/26/780843326.db2.gz	HFJKDYNSQUWVOP-CHWSQXEVSA-N	2	0	312.414	-1.109	20	0		DAADRP
CN(CC(=O)Nc1cnn(CCN2CCOCC2)c1)C(N)=[NH2+]	ZINC001144129109	781365470	/nfs/dbraw/zinc/36/54/70/781365470.db2.gz	VONAIYWHRTWPQI-UHFFFAOYSA-N	2	0	309.374	-1.021	20	0		DAADRP
[NH3+]C[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)CCO1	ZINC001160644196	781378775	/nfs/dbraw/zinc/37/87/75/781378775.db2.gz	WPEWUFBSJVXMOL-VHSXEESVSA-N	2	0	303.384	-2.051	20	0		DAADRP
C[C@H]([NH2+]CCCNC(=O)COCC[NH+](C)C)C(=O)NC(N)=O	ZINC001171217862	781384994	/nfs/dbraw/zinc/38/49/94/781384994.db2.gz	OPPDJWMISYMSNO-JTQLQIEISA-N	2	0	317.390	-1.756	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001171216909	781385120	/nfs/dbraw/zinc/38/51/20/781385120.db2.gz	KXIXZVREXPSZGY-LLVKDONJSA-N	2	0	313.402	-1.120	20	0		DAADRP
CN1CC[C@H]([NH2+]CCCNC(=O)COCC[NH+](C)C)C1=O	ZINC001171216867	781385718	/nfs/dbraw/zinc/38/57/18/781385718.db2.gz	KEBIBCFDUJNJPE-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
CCOC(=O)C1(C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)C[NH2+]C1	ZINC001160999448	781419652	/nfs/dbraw/zinc/41/96/52/781419652.db2.gz	DUJMXSRIUBEHMR-NSHDSACASA-N	2	0	311.382	-1.146	20	0		DAADRP
CC[N@H+](C)CCC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O	ZINC001146718902	781420553	/nfs/dbraw/zinc/42/05/53/781420553.db2.gz	KOOJTDFJFPWMBT-UHFFFAOYSA-N	2	0	308.448	-1.075	20	0		DAADRP
O=C(NCCC[NH2+][C@@H]1CCC(=O)NC1=O)C12CC[NH+](CC1)C2	ZINC001171295238	781431838	/nfs/dbraw/zinc/43/18/38/781431838.db2.gz	ZXZLRCOWGYTUSU-LLVKDONJSA-N	2	0	308.382	-1.017	20	0		DAADRP
Cn1[nH]c(C[NH2+]CCCNC(=O)C23CC[NH+](CC2)C3)nc1=O	ZINC001171303337	781441115	/nfs/dbraw/zinc/44/11/15/781441115.db2.gz	GLQFJRSXFDHJGK-UHFFFAOYSA-N	2	0	308.386	-1.200	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C	ZINC001147842470	781458350	/nfs/dbraw/zinc/45/83/50/781458350.db2.gz	ZEPYCRIKOWKYEC-UHFFFAOYSA-N	2	0	317.390	-1.884	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C	ZINC001147848398	781458684	/nfs/dbraw/zinc/45/86/84/781458684.db2.gz	NLUVFGKDPMFQPI-UHFFFAOYSA-N	2	0	303.363	-2.274	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001147892059	781458741	/nfs/dbraw/zinc/45/87/41/781458741.db2.gz	HKTCXEQCMSGBHW-GFCCVEGCSA-N	2	0	320.459	-1.027	20	0		DAADRP
C[C@@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)NC1CC1	ZINC001147891932	781458875	/nfs/dbraw/zinc/45/88/75/781458875.db2.gz	FJJCRZQNOJDQGQ-LLVKDONJSA-N	2	0	300.403	-1.063	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCC[NH2+]CCNC(=O)C1CC1	ZINC001147891570	781458919	/nfs/dbraw/zinc/45/89/19/781458919.db2.gz	DATRHUXQCXXFHI-UHFFFAOYSA-N	2	0	300.403	-1.203	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCC[NH2+]CCCS(C)(=O)=O	ZINC001147893020	781459113	/nfs/dbraw/zinc/45/91/13/781459113.db2.gz	OBRHBMVUSLCFFN-UHFFFAOYSA-N	2	0	309.432	-1.295	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)N1CCCC1	ZINC001147841253	781459482	/nfs/dbraw/zinc/45/94/82/781459482.db2.gz	BFDWFVATJGRHAX-UHFFFAOYSA-N	2	0	300.403	-1.107	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCC[NH2+]CCN1CCCC1=O	ZINC001147893432	781459510	/nfs/dbraw/zinc/45/95/10/781459510.db2.gz	QBZDUYFNMXPEAR-UHFFFAOYSA-N	2	0	300.403	-1.107	20	0		DAADRP
CC(C)NC(=O)NCC[NH2+]CCNC(=O)COCC[NH+](C)C	ZINC001147886050	781459701	/nfs/dbraw/zinc/45/97/01/781459701.db2.gz	SCVMMWAWGSUXMP-UHFFFAOYSA-N	2	0	317.434	-1.022	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1	ZINC001147877209	781460340	/nfs/dbraw/zinc/46/03/40/781460340.db2.gz	GSDAXPOGUXXQRI-ZDUSSCGKSA-N	2	0	312.414	-1.107	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001147899983	781461772	/nfs/dbraw/zinc/46/17/72/781461772.db2.gz	FTMFXFRYTCRGAL-QWRGUYRKSA-N	2	0	313.402	-1.122	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C12CC[NH+](CC1)C2	ZINC001148001106	781461821	/nfs/dbraw/zinc/46/18/21/781461821.db2.gz	ZXGCZZXATFMREW-SNVBAGLBSA-N	2	0	311.386	-1.368	20	0		DAADRP
O=C(NCC[NH2+]CCCN1C(=O)CNC1=O)C12CC[NH+](CC1)C2	ZINC001147994262	781462645	/nfs/dbraw/zinc/46/26/45/781462645.db2.gz	AFJOFGYFAZWKKX-UHFFFAOYSA-N	2	0	323.397	-1.270	20	0		DAADRP
CCC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC(=O)NC	ZINC001148571129	781476176	/nfs/dbraw/zinc/47/61/76/781476176.db2.gz	XEAVCSZXHRJNPO-UHFFFAOYSA-N	2	0	301.391	-1.120	20	0		DAADRP
CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1	ZINC001148638786	781476254	/nfs/dbraw/zinc/47/62/54/781476254.db2.gz	RLNYPUBWSMMNLL-UHFFFAOYSA-N	2	0	313.402	-2.008	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001176063275	781613221	/nfs/dbraw/zinc/61/32/21/781613221.db2.gz	APDBBKSOTXNDJS-QWRGUYRKSA-N	2	0	313.402	-1.122	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001176063276	781613599	/nfs/dbraw/zinc/61/35/99/781613599.db2.gz	APDBBKSOTXNDJS-WDEREUQCSA-N	2	0	313.402	-1.122	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001176071039	781613946	/nfs/dbraw/zinc/61/39/46/781613946.db2.gz	BIIMRARBGYULEB-LLVKDONJSA-N	2	0	313.402	-1.120	20	0		DAADRP
CS(=O)(=O)NCC[NH2+]CCCNC(=O)C[NH+]1CCCC1	ZINC001176110285	781614129	/nfs/dbraw/zinc/61/41/29/781614129.db2.gz	JOYKNUOXYIMFBN-UHFFFAOYSA-N	2	0	306.432	-1.273	20	0		DAADRP
C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@@]1(C)C[NH2+]CC(N)=O	ZINC001181009160	781682607	/nfs/dbraw/zinc/68/26/07/781682607.db2.gz	QLVNDFMHMDLKNR-TYNCELHUSA-N	2	0	312.414	-1.124	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	ZINC001181652098	781690429	/nfs/dbraw/zinc/69/04/29/781690429.db2.gz	ISYSTOZHXCAYHM-MNOVXSKESA-N	2	0	311.386	-1.273	20	0		DAADRP
COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001151066747	781694215	/nfs/dbraw/zinc/69/42/15/781694215.db2.gz	YIELYNLLKUUXCL-STQMWFEESA-N	2	0	303.403	-1.332	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1	ZINC001151066574	781694486	/nfs/dbraw/zinc/69/44/86/781694486.db2.gz	WMMINEKGYLWNDN-STQMWFEESA-N	2	0	312.414	-1.203	20	0		DAADRP
COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001151066746	781694617	/nfs/dbraw/zinc/69/46/17/781694617.db2.gz	YIELYNLLKUUXCL-QWHCGFSZSA-N	2	0	303.403	-1.332	20	0		DAADRP
C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)CCO1	ZINC001151064972	781694665	/nfs/dbraw/zinc/69/46/65/781694665.db2.gz	GJVPUUIEOZFCPS-STQMWFEESA-N	2	0	312.414	-1.109	20	0		DAADRP
O=C(C[NH+]1CCCC1)NCC[NH2+]C[C@H](O)CN1CCCC1=O	ZINC001151098377	781702849	/nfs/dbraw/zinc/70/28/49/781702849.db2.gz	YVXPJCSMWMEFKJ-ZDUSSCGKSA-N	2	0	312.414	-1.229	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)N1CCC1	ZINC001151152473	781704716	/nfs/dbraw/zinc/70/47/16/781704716.db2.gz	ULMYVJFWEIKPJW-ZDUSSCGKSA-N	2	0	312.414	-1.107	20	0		DAADRP
COC[C@H](O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1	ZINC001151156434	781706329	/nfs/dbraw/zinc/70/63/29/781706329.db2.gz	CKMRKUOKSVDOAK-QWHCGFSZSA-N	2	0	303.403	-1.332	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1	ZINC001182623220	781710796	/nfs/dbraw/zinc/71/07/96/781710796.db2.gz	HGZSJCNTIVXZHK-NEPJUHHUSA-N	2	0	323.397	-1.286	20	0		DAADRP
NC(=[NH2+])N(CCCC[NH3+])C(=O)Cn1cc(F)c(=O)[nH]c1=O	ZINC001183663176	781730463	/nfs/dbraw/zinc/73/04/63/781730463.db2.gz	RXBKGSQCZNERPK-UHFFFAOYSA-N	2	0	300.294	-1.451	20	0		DAADRP
C[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1	ZINC001185384471	781760414	/nfs/dbraw/zinc/76/04/14/781760414.db2.gz	DYBIYRYDVWSDCY-LLVKDONJSA-N	2	0	311.386	-1.286	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1	ZINC001185401910	781760813	/nfs/dbraw/zinc/76/08/13/781760813.db2.gz	YSRCQTCBJQAWLY-GHMZBOCLSA-N	2	0	313.402	-1.027	20	0		DAADRP
C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001185651100	781761889	/nfs/dbraw/zinc/76/18/89/781761889.db2.gz	RTZOHWXWWWZRPZ-WDEREUQCSA-N	2	0	311.386	-1.144	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001185659936	781764508	/nfs/dbraw/zinc/76/45/08/781764508.db2.gz	UDVWYKSSTOVOCJ-WDEREUQCSA-N	2	0	311.386	-1.286	20	0		DAADRP
CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1	ZINC001186825060	781791574	/nfs/dbraw/zinc/79/15/74/781791574.db2.gz	XKYBYNYZIFBSFS-LLVKDONJSA-N	2	0	313.402	-1.026	20	0		DAADRP
C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1	ZINC001187121284	781795825	/nfs/dbraw/zinc/79/58/25/781795825.db2.gz	GOYUSLYDTYMQHJ-CYBMUJFWSA-N	2	0	303.403	-1.236	20	0		DAADRP
C[C@H]([NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)C(=O)NC(N)=O	ZINC001187843145	781808533	/nfs/dbraw/zinc/80/85/33/781808533.db2.gz	VHRTXUAECGXEFG-WDEREUQCSA-N	2	0	311.386	-1.144	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)C1	ZINC001203699836	781837448	/nfs/dbraw/zinc/83/74/48/781837448.db2.gz	UTFBFJXCZPZYBK-SNVBAGLBSA-N	2	0	311.386	-1.286	20	0		DAADRP
NC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1	ZINC001377347711	921806594	/nfs/dbraw/zinc/80/65/94/921806594.db2.gz	VYDAVLYCIDNWTH-ZDUSSCGKSA-N	2	0	324.425	-1.243	20	0		DAADRP
C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H]1CCC(=O)NC1=O	ZINC001317281766	916281405	/nfs/dbraw/zinc/28/14/05/916281405.db2.gz	FMGWTHHDIZYDJZ-QWRGUYRKSA-N	2	0	308.382	-1.018	20	0		DAADRP
CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)CC[NH+](C)C	ZINC001317623316	916340609	/nfs/dbraw/zinc/34/06/09/916340609.db2.gz	KJIHBCQXENRLFX-UHFFFAOYSA-N	2	0	300.403	-1.155	20	0		DAADRP
CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001317662254	916345174	/nfs/dbraw/zinc/34/51/74/916345174.db2.gz	XBWCHZHUGHYANG-NSHDSACASA-N	2	0	311.386	-1.462	20	0		DAADRP
CS(=O)(=O)CC[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001320297154	916500772	/nfs/dbraw/zinc/50/07/72/916500772.db2.gz	YPHUBTKYEMUPPK-LLVKDONJSA-N	2	0	319.427	-1.807	20	0		DAADRP
CCN(CC[NH2+]CC(=O)N1CCC1)C(=O)[C@H]1CN(C)CCO1	ZINC001320703680	916523606	/nfs/dbraw/zinc/52/36/06/916523606.db2.gz	RUZOHYRKQMTBTC-CYBMUJFWSA-N	2	0	312.414	-1.013	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O)C1	ZINC001321249148	916559569	/nfs/dbraw/zinc/55/95/69/916559569.db2.gz	IZCCMVPMTZSFAP-VUDBWIFFSA-N	2	0	311.386	-1.215	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001322442080	916636094	/nfs/dbraw/zinc/63/60/94/916636094.db2.gz	IKSVGMKYEONHAS-LLVKDONJSA-N	2	0	313.402	-1.026	20	0		DAADRP
C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C	ZINC001322512022	916639281	/nfs/dbraw/zinc/63/92/81/916639281.db2.gz	PBWQLDVYCYULOU-GHMZBOCLSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N(CC[NH3+])CCO	ZINC001325347342	916844350	/nfs/dbraw/zinc/84/43/50/916844350.db2.gz	ZNGLANMIUBLGIA-NWDGAFQWSA-N	2	0	300.403	-1.245	20	0		DAADRP
CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001326146371	916901589	/nfs/dbraw/zinc/90/15/89/916901589.db2.gz	KSFFULHYJRKJSO-GFCCVEGCSA-N	2	0	300.403	-1.515	20	0		DAADRP
C[NH+]1CCN(C[C@H](O)C[NH2+]CCCN2CCOCC2)CC1	ZINC001326145944	916902925	/nfs/dbraw/zinc/90/29/25/916902925.db2.gz	GPQVVRVGCOMXJU-OAHLLOKOSA-N	2	0	300.447	-1.093	20	0		DAADRP
C[NH+](C)CC[C@@H](N)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC001326577259	916931679	/nfs/dbraw/zinc/93/16/79/916931679.db2.gz	JONLDHJSLPZMHW-CHWSQXEVSA-N	2	0	313.446	-1.031	20	0		DAADRP
C[NH+](C)CC[C@H](N)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC001326577263	916933180	/nfs/dbraw/zinc/93/31/80/916933180.db2.gz	JONLDHJSLPZMHW-STQMWFEESA-N	2	0	313.446	-1.031	20	0		DAADRP
C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)[C@H]1CN(C)CCO1	ZINC001326600436	916933286	/nfs/dbraw/zinc/93/32/86/916933286.db2.gz	WWZLLKZVUBOQOV-SOUVJXGZSA-N	2	0	300.447	-1.097	20	0		DAADRP
C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)[C@@H]1CN(C)CCO1	ZINC001326600437	916933820	/nfs/dbraw/zinc/93/38/20/916933820.db2.gz	WWZLLKZVUBOQOV-ZNMIVQPWSA-N	2	0	300.447	-1.097	20	0		DAADRP
CC1(C)CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]1	ZINC001326837780	916961490	/nfs/dbraw/zinc/96/14/90/916961490.db2.gz	XQWVUHKTWNZFMU-NWDGAFQWSA-N	2	0	310.398	-1.526	20	0		DAADRP
C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1[NH3+]	ZINC001326877974	916964758	/nfs/dbraw/zinc/96/47/58/916964758.db2.gz	XTRGWCUIMDVVMO-WUHRBBMRSA-N	2	0	310.398	-1.541	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CCOCCO)C1	ZINC001327015452	916980313	/nfs/dbraw/zinc/98/03/13/916980313.db2.gz	BGEOYHYOMWZQJP-UONOGXRCSA-N	2	0	315.414	-1.094	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCCCCC[NH3+]	ZINC001327055841	916986278	/nfs/dbraw/zinc/98/62/78/916986278.db2.gz	OHIPRLMNBHZZGP-ZDUSSCGKSA-N	2	0	313.446	-1.016	20	0		DAADRP
COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cn(CCCC[NH3+])nn1	ZINC001327120249	916993723	/nfs/dbraw/zinc/99/37/23/916993723.db2.gz	DEXGGCFWXCFFRO-GFCCVEGCSA-N	2	0	324.385	-1.006	20	0		DAADRP
O=C(N[C@H]1CC[NH2+]C1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC001327470166	917016668	/nfs/dbraw/zinc/01/66/68/917016668.db2.gz	BFHSFMNYLRKQTE-MELADBBJSA-N	2	0	324.425	-1.042	20	0		DAADRP
O=C(N[C@H]1CC[NH2+]C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC001327470164	917017495	/nfs/dbraw/zinc/01/74/95/917017495.db2.gz	BFHSFMNYLRKQTE-BFHYXJOUSA-N	2	0	324.425	-1.042	20	0		DAADRP
C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC001327708553	917036916	/nfs/dbraw/zinc/03/69/16/917036916.db2.gz	YSOXHUJVEAGNCV-FVCCEPFGSA-N	2	0	310.398	-1.541	20	0		DAADRP
C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1	ZINC001328369259	917082063	/nfs/dbraw/zinc/08/20/63/917082063.db2.gz	CDLGXDAFCYEEGK-LBPRGKRZSA-N	2	0	312.414	-1.230	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC001328987335	917127010	/nfs/dbraw/zinc/12/70/10/917127010.db2.gz	IYDWMEGXRJGJIA-LBPRGKRZSA-N	2	0	312.414	-1.061	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C	ZINC001328976088	917127950	/nfs/dbraw/zinc/12/79/50/917127950.db2.gz	XOKWCCJNZPNSME-GFCCVEGCSA-N	2	0	315.418	-2.299	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC001328987308	917128139	/nfs/dbraw/zinc/12/81/39/917128139.db2.gz	IYDWMEGXRJGJIA-GFCCVEGCSA-N	2	0	312.414	-1.061	20	0		DAADRP
C[NH+]1CCN(C[C@H](O)C[NH2+]CCCN2C(=O)CCC2=O)CC1	ZINC001329139574	917144627	/nfs/dbraw/zinc/14/46/27/917144627.db2.gz	ASUIKJJRVMDEKN-CYBMUJFWSA-N	2	0	312.414	-1.277	20	0		DAADRP
C[C@H](CN1CCOCC1)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1	ZINC001329135383	917145188	/nfs/dbraw/zinc/14/51/88/917145188.db2.gz	RKDAPSURBKHXMU-HUUCEWRRSA-N	2	0	300.447	-1.095	20	0		DAADRP
C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1	ZINC001329163364	917148548	/nfs/dbraw/zinc/14/85/48/917148548.db2.gz	SAAUQKQIJGYQCU-CYBMUJFWSA-N	2	0	313.446	-1.112	20	0		DAADRP
CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	ZINC001329465011	917170963	/nfs/dbraw/zinc/17/09/63/917170963.db2.gz	IKZPXEHHQWLDJP-TXEJJXNPSA-N	2	0	300.403	-1.124	20	0		DAADRP
[NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCCCN2CC[NH2+]CC2)n1	ZINC001329824025	917202610	/nfs/dbraw/zinc/20/26/10/917202610.db2.gz	SRDPJJXXIYPDCB-UHFFFAOYSA-N	2	0	323.401	-1.265	20	0		DAADRP
NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cn(CC[NH3+])nn2)C1	ZINC001329925877	917212613	/nfs/dbraw/zinc/21/26/13/917212613.db2.gz	OXVRBDUXXOKQTM-NSHDSACASA-N	2	0	323.401	-1.446	20	0		DAADRP
O=C(NCC1=CC[NH2+]CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC001329948677	917215269	/nfs/dbraw/zinc/21/52/69/917215269.db2.gz	DGORYRSDNOYNOE-QWHCGFSZSA-N	2	0	308.382	-1.700	20	0		DAADRP
O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC[C@H]1COCC[NH2+]1	ZINC001330025113	917223067	/nfs/dbraw/zinc/22/30/67/917223067.db2.gz	WUNMOJNOOFUPIK-RYUDHWBXSA-N	2	0	310.398	-1.309	20	0		DAADRP
CN(CCO)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC001330379548	917242703	/nfs/dbraw/zinc/24/27/03/917242703.db2.gz	OJUMBUFITXTFDG-CHWSQXEVSA-N	2	0	314.430	-1.365	20	0		DAADRP
C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1	ZINC001330527310	917253704	/nfs/dbraw/zinc/25/37/04/917253704.db2.gz	YHCFMKRYIWBKAG-ZDUSSCGKSA-N	2	0	313.446	-1.146	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1	ZINC001331119785	917280197	/nfs/dbraw/zinc/28/01/97/917280197.db2.gz	PVETZCLYLREKTH-YNEHKIRRSA-N	2	0	311.430	-1.266	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1	ZINC001331119783	917280439	/nfs/dbraw/zinc/28/04/39/917280439.db2.gz	PVETZCLYLREKTH-JHJVBQTASA-N	2	0	311.430	-1.266	20	0		DAADRP
C[NH+]1CCN(CCn2cc(CCN3CC[NH2+]CC3)nn2)CC1	ZINC001331856160	917346512	/nfs/dbraw/zinc/34/65/12/917346512.db2.gz	BZIGFXDCJRRLIH-UHFFFAOYSA-N	2	0	307.446	-1.027	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21	ZINC001332250698	917360901	/nfs/dbraw/zinc/36/09/01/917360901.db2.gz	NOVNHFWFUNQRGD-RDBSUJKOSA-N	2	0	323.441	-1.299	20	0		DAADRP
[NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC001332415523	917370034	/nfs/dbraw/zinc/37/00/34/917370034.db2.gz	DDIRYEMKIVEOGW-RWMBFGLXSA-N	2	0	310.398	-1.539	20	0		DAADRP
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1	ZINC001332946681	917417024	/nfs/dbraw/zinc/41/70/24/917417024.db2.gz	ZBIQTCJNASNWJQ-BETUJISGSA-N	2	0	311.430	-1.536	20	0		DAADRP
C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC001333180226	917427652	/nfs/dbraw/zinc/42/76/52/917427652.db2.gz	ZUMNLYSTUHXQBQ-STQMWFEESA-N	2	0	313.446	-1.160	20	0		DAADRP
CNC(=O)C[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001333207716	917427899	/nfs/dbraw/zinc/42/78/99/917427899.db2.gz	XEQZSYDEXVWPFQ-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
CN(C)c1ncc(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)n1C	ZINC001333897291	917465903	/nfs/dbraw/zinc/46/59/03/917465903.db2.gz	HSMKFTJYXIIBDL-UWVGGRQHSA-N	2	0	306.370	-1.325	20	0		DAADRP
COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1	ZINC001333958044	917469089	/nfs/dbraw/zinc/46/90/89/917469089.db2.gz	GHTUGYUOPGDUMU-HAQNSBGRSA-N	2	0	300.403	-1.076	20	0		DAADRP
CN1CC[N@H+](C)CC(C(=O)N2CC(N3CC[NH+](C)CC3)C2)C1	ZINC001334141352	917478212	/nfs/dbraw/zinc/47/82/12/917478212.db2.gz	WPAUIOLLVIXDMS-UHFFFAOYSA-N	2	0	309.458	-1.062	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1	ZINC001335207296	917532436	/nfs/dbraw/zinc/53/24/36/917532436.db2.gz	KWDVNTJWGFMJDC-FRRDWIJNSA-N	2	0	311.430	-1.408	20	0		DAADRP
CN(C)c1ncc(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)n1C	ZINC001335216943	917533707	/nfs/dbraw/zinc/53/37/07/917533707.db2.gz	NHJYMYLATYWWGQ-SNVBAGLBSA-N	2	0	324.385	-1.793	20	0		DAADRP
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1	ZINC001335239997	917534890	/nfs/dbraw/zinc/53/48/90/917534890.db2.gz	GASCQLBNXRWEKR-TYNCELHUSA-N	2	0	312.414	-1.245	20	0		DAADRP
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1	ZINC001335240000	917536845	/nfs/dbraw/zinc/53/68/45/917536845.db2.gz	GASCQLBNXRWEKR-ZOWXZIJZSA-N	2	0	312.414	-1.245	20	0		DAADRP
[NH3+][C@@]1(CO)CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1	ZINC001335769811	917561554	/nfs/dbraw/zinc/56/15/54/917561554.db2.gz	WMRYMBWDGBETJL-WBMJQRKESA-N	2	0	324.425	-1.101	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2	ZINC001335751727	917561590	/nfs/dbraw/zinc/56/15/90/917561590.db2.gz	RCFJOLZFWYEWIC-WUHRBBMRSA-N	2	0	309.414	-1.643	20	0		DAADRP
[NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1	ZINC001335801850	917562246	/nfs/dbraw/zinc/56/22/46/917562246.db2.gz	MFKNYGFKCVVBDJ-CRWXNKLISA-N	2	0	324.425	-1.103	20	0		DAADRP
[NH3+][C@@]1(CO)CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1	ZINC001335769809	917563112	/nfs/dbraw/zinc/56/31/12/917563112.db2.gz	WMRYMBWDGBETJL-LRDDRELGSA-N	2	0	324.425	-1.101	20	0		DAADRP
[NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1	ZINC001336134067	917571452	/nfs/dbraw/zinc/57/14/52/917571452.db2.gz	KQDWHFISKGDQJV-MJBXVCDLSA-N	2	0	324.425	-1.149	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC001337377936	917618076	/nfs/dbraw/zinc/61/80/76/917618076.db2.gz	SHYYPXARHCQOHX-FRRDWIJNSA-N	2	0	309.414	-1.689	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C[NH+](C)C	ZINC001338321433	917677716	/nfs/dbraw/zinc/67/77/16/917677716.db2.gz	HOHKOSGAOWIHGO-TUAOUCFPSA-N	2	0	300.403	-1.077	20	0		DAADRP
[NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1	ZINC001338321958	917678910	/nfs/dbraw/zinc/67/89/10/917678910.db2.gz	MFKNYGFKCVVBDJ-XUXIUFHCSA-N	2	0	324.425	-1.103	20	0		DAADRP
[NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1	ZINC001338321957	917679052	/nfs/dbraw/zinc/67/90/52/917679052.db2.gz	MFKNYGFKCVVBDJ-XDQVBPFNSA-N	2	0	324.425	-1.103	20	0		DAADRP
C[NH2+]CCOCCN(C)C(=O)[C@H]1CCCN(CC[NH3+])C1=O	ZINC001340833483	917742425	/nfs/dbraw/zinc/74/24/25/917742425.db2.gz	PBMQJHQFDZLATG-GFCCVEGCSA-N	2	0	300.403	-1.122	20	0		DAADRP
C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1	ZINC001340926939	917745510	/nfs/dbraw/zinc/74/55/10/917745510.db2.gz	ATQGSGUKLSKQAB-ILXRZTDVSA-N	2	0	307.442	-1.119	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O	ZINC001341685052	917764809	/nfs/dbraw/zinc/76/48/09/917764809.db2.gz	RDNUXKGPCFIBFG-GFCCVEGCSA-N	2	0	300.403	-1.122	20	0		DAADRP
O=C(NCCC[NH2+]C1CC1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2	ZINC001342125124	917779779	/nfs/dbraw/zinc/77/97/79/917779779.db2.gz	OOJDPSDGOGUXJQ-GWCFXTLKSA-N	2	0	301.412	-1.121	20	0		DAADRP
CN1CC[NH2+]C[C@H]1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC001343487837	917811522	/nfs/dbraw/zinc/81/15/22/917811522.db2.gz	SLDHZOSYRZLPCV-QWRGUYRKSA-N	2	0	323.363	-1.158	20	0		DAADRP
COCCN1CC[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1	ZINC001345605885	917850817	/nfs/dbraw/zinc/85/08/17/917850817.db2.gz	LHUQSLYCRVYZSM-HUUCEWRRSA-N	2	0	300.447	-1.095	20	0		DAADRP
COCC[NH2+]CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC001345767302	917856074	/nfs/dbraw/zinc/85/60/74/917856074.db2.gz	NBBNCLXNIGVTMZ-AWEZNQCLSA-N	2	0	314.430	-1.255	20	0		DAADRP
[NH3+]CCCCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC001345957984	917866059	/nfs/dbraw/zinc/86/60/59/917866059.db2.gz	FYQIMKTUIUGKCO-QWHCGFSZSA-N	2	0	312.414	-1.101	20	0		DAADRP
C[C@H]1C[C@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@@H+]1C	ZINC001345911106	917866332	/nfs/dbraw/zinc/86/63/32/917866332.db2.gz	IDBLTGFWDZPHMR-QWHCGFSZSA-N	2	0	311.430	-1.393	20	0		DAADRP
C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C[NH+]1CCN(C)CC1	ZINC001347074618	917909562	/nfs/dbraw/zinc/90/95/62/917909562.db2.gz	BMTBMWHDULNINT-STQMWFEESA-N	2	0	311.430	-1.536	20	0		DAADRP
C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+](C)CCOCCO	ZINC001348131931	917928563	/nfs/dbraw/zinc/92/85/63/917928563.db2.gz	MHLCWNSYOYMKIG-KBPBESRZSA-N	2	0	314.430	-1.568	20	0		DAADRP
C[NH+]1CCN(C[C@H](O)C[NH2+]CCS(=O)(=O)C2CC2)CC1	ZINC001348971846	917984879	/nfs/dbraw/zinc/98/48/79/917984879.db2.gz	GUJGGGJANRGQEG-GFCCVEGCSA-N	2	0	305.444	-1.239	20	0		DAADRP
[NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CC[NH2+]CC1)C2=O	ZINC001349110787	917995004	/nfs/dbraw/zinc/99/50/04/917995004.db2.gz	GAJBYMXISWYUCE-XHDPSFHLSA-N	2	0	323.397	-1.142	20	0		DAADRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+]	ZINC001350004874	918047191	/nfs/dbraw/zinc/04/71/91/918047191.db2.gz	MEVBEJGUUBDNIS-OLZOCXBDSA-N	2	0	311.430	-1.312	20	0		DAADRP
CN(CC[NH+](C)C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1	ZINC001350352628	918060192	/nfs/dbraw/zinc/06/01/92/918060192.db2.gz	ACANRRNAXUNOFL-UHFFFAOYSA-N	2	0	310.358	-1.723	20	0		DAADRP
O=C(NC[C@H]1COCC[NH2+]1)C(=O)NC1CC[NH+](C2CC2)CC1	ZINC001351550546	918095093	/nfs/dbraw/zinc/09/50/93/918095093.db2.gz	GLJVVCUQSYRZIZ-LBPRGKRZSA-N	2	0	310.398	-1.166	20	0		DAADRP
CN1CC[NH+](C2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)CC1	ZINC001351982521	918115347	/nfs/dbraw/zinc/11/53/47/918115347.db2.gz	HUWVZQLOVGRBDP-UHFFFAOYSA-N	2	0	323.441	-1.343	20	0		DAADRP
Cn1cc(S(=O)(=O)NCCN2CC[NH2+]CC[NH2+]CC2)cn1	ZINC001354184700	918168907	/nfs/dbraw/zinc/16/89/07/918168907.db2.gz	LJTRBZPGFLTNSF-UHFFFAOYSA-N	2	0	316.431	-1.807	20	0		DAADRP
COCCC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1	ZINC001357413006	918288597	/nfs/dbraw/zinc/28/85/97/918288597.db2.gz	FOCMWYXQMKWACP-GFCCVEGCSA-N	2	0	312.414	-1.109	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001365816651	919240253	/nfs/dbraw/zinc/24/02/53/919240253.db2.gz	KQUCPNHYIWSVFY-OUAUKWLOSA-N	2	0	311.386	-1.240	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001365833511	919240907	/nfs/dbraw/zinc/24/09/07/919240907.db2.gz	KQUCPNHYIWSVFY-GMTAPVOTSA-N	2	0	311.386	-1.240	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C1CC1	ZINC001366025813	919267877	/nfs/dbraw/zinc/26/78/77/919267877.db2.gz	HHCYJMXNHXAHAS-QWRGUYRKSA-N	2	0	311.386	-1.240	20	0		DAADRP
C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O	ZINC001366095472	919281825	/nfs/dbraw/zinc/28/18/25/919281825.db2.gz	ZARRJSQVYOIHSW-OUAUKWLOSA-N	2	0	311.386	-1.146	20	0		DAADRP
C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O	ZINC001366129911	919286728	/nfs/dbraw/zinc/28/67/28/919286728.db2.gz	ZHEFVWICAZJXID-GWOFURMSSA-N	2	0	311.386	-1.099	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001366339140	919312380	/nfs/dbraw/zinc/31/23/80/919312380.db2.gz	BZDGEORLTAADNR-QWRGUYRKSA-N	2	0	313.402	-1.122	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1	ZINC001366397053	919323720	/nfs/dbraw/zinc/32/37/20/919323720.db2.gz	GOQLGTWXRXFYEW-QWHCGFSZSA-N	2	0	312.414	-1.109	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1	ZINC001366397047	919325133	/nfs/dbraw/zinc/32/51/33/919325133.db2.gz	GOQLGTWXRXFYEW-CHWSQXEVSA-N	2	0	312.414	-1.109	20	0		DAADRP
CC[C@H](C(=O)NC[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1)[NH+](C)C	ZINC001366697302	919366938	/nfs/dbraw/zinc/36/69/38/919366938.db2.gz	BBDRTYXTCRCHNO-GHMZBOCLSA-N	2	0	313.402	-1.040	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[NH+]1CCCC1	ZINC001366774392	919378674	/nfs/dbraw/zinc/37/86/74/919378674.db2.gz	JJWVCQVTCGIUPV-NSHDSACASA-N	2	0	313.402	-1.026	20	0		DAADRP
CC[C@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001367262560	919444674	/nfs/dbraw/zinc/44/46/74/919444674.db2.gz	QLNIRJCDNYIXAI-NXEZZACHSA-N	2	0	301.391	-1.137	20	0		DAADRP
CC(C)[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1)[NH+](C)C	ZINC001367585475	919493471	/nfs/dbraw/zinc/49/34/71/919493471.db2.gz	FXFVHRRBTSGGMI-OCCSQVGLSA-N	2	0	314.430	-1.128	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O	ZINC001367584388	919496014	/nfs/dbraw/zinc/49/60/14/919496014.db2.gz	RJXRWYLOYVSPCF-RKDXNWHRSA-N	2	0	301.347	-2.658	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CC1	ZINC001367594838	919509512	/nfs/dbraw/zinc/50/95/12/919509512.db2.gz	SMKUZAQNIQYHKJ-OLZOCXBDSA-N	2	0	312.414	-1.184	20	0		DAADRP
CC(C)[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001367598893	919511774	/nfs/dbraw/zinc/51/17/74/919511774.db2.gz	DDQNUPREDJWTGY-MWLCHTKSSA-N	2	0	317.390	-2.166	20	0		DAADRP
COC[C@H](O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001367609373	919526115	/nfs/dbraw/zinc/52/61/15/919526115.db2.gz	RGVATNWVWQHZCK-XQQFMLRXSA-N	2	0	303.403	-1.455	20	0		DAADRP
COC[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001367614353	919527495	/nfs/dbraw/zinc/52/74/95/919527495.db2.gz	AFCXLCYQBSQRKU-NEPJUHHUSA-N	2	0	301.387	-1.844	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001367628053	919540723	/nfs/dbraw/zinc/54/07/23/919540723.db2.gz	WMNPFVRQZCUZNY-VXGBXAGGSA-N	2	0	300.403	-1.517	20	0		DAADRP
O=C(C[NH+]1CCCC1)NC[C@]1(O)CC[N@H+](CCn2cncn2)C1	ZINC001368280639	919658185	/nfs/dbraw/zinc/65/81/85/919658185.db2.gz	BLYSMQHMLAYBNA-OAHLLOKOSA-N	2	0	322.413	-1.073	20	0		DAADRP
NC(=O)C[NH2+]C1CCN(CCNC(=O)C23CC[NH+](CC2)C3)CC1	ZINC001368360791	919702381	/nfs/dbraw/zinc/70/23/81/919702381.db2.gz	QHRIRBIDVMSHKJ-UHFFFAOYSA-N	2	0	323.441	-1.262	20	0		DAADRP
CC[C@@H](C(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O)[NH+](C)C	ZINC001368393513	919714397	/nfs/dbraw/zinc/71/43/97/919714397.db2.gz	FUIWEQTYILWSAW-RYUDHWBXSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[C@H]([NH2+]CCN(CCO)C(=O)C[NH+]1CCCC1)C(=O)N(C)C	ZINC001368402812	919718867	/nfs/dbraw/zinc/71/88/67/919718867.db2.gz	ALDRDLXSHMETBM-ZDUSSCGKSA-N	2	0	314.430	-1.031	20	0		DAADRP
COC[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2	ZINC001369340216	919878308	/nfs/dbraw/zinc/87/83/08/919878308.db2.gz	LBEFGVYTPMUJSN-OLZOCXBDSA-N	2	0	315.414	-1.311	20	0		DAADRP
COC[C@@H](O)C[NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2	ZINC001369340239	919879952	/nfs/dbraw/zinc/87/99/52/919879952.db2.gz	LBEFGVYTPMUJSN-STQMWFEESA-N	2	0	315.414	-1.311	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C	ZINC001369351077	919890424	/nfs/dbraw/zinc/89/04/24/919890424.db2.gz	SNLSCSIAIGXQFL-UWVGGRQHSA-N	2	0	317.390	-2.151	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C	ZINC001369351074	919892322	/nfs/dbraw/zinc/89/23/22/919892322.db2.gz	SNLSCSIAIGXQFL-NXEZZACHSA-N	2	0	317.390	-2.151	20	0		DAADRP
CC(C)N(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001369378121	919913994	/nfs/dbraw/zinc/91/39/94/919913994.db2.gz	BALOWUWXSIGMDH-OLZOCXBDSA-N	2	0	314.430	-1.128	20	0		DAADRP
CN(C[C@H](O)C[NH2+]Cc1cnnn1C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001369476593	919954724	/nfs/dbraw/zinc/95/47/24/919954724.db2.gz	QSNIUAGKMZDMLJ-CHWSQXEVSA-N	2	0	310.402	-1.182	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)CCC[NH+](C)C	ZINC001369483797	919957935	/nfs/dbraw/zinc/95/79/35/919957935.db2.gz	MGYKXMNFKDDXCN-RYUDHWBXSA-N	2	0	300.403	-1.374	20	0		DAADRP
CN(C[C@H](O)C[N@H+](C)CCO)C(=O)COC1CC[NH+](C)CC1	ZINC001369510847	919978286	/nfs/dbraw/zinc/97/82/86/919978286.db2.gz	BYCNEHWXPYOPCN-CYBMUJFWSA-N	2	0	317.430	-1.159	20	0		DAADRP
C[C@@H]([NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O	ZINC001370405842	920057209	/nfs/dbraw/zinc/05/72/09/920057209.db2.gz	RWQQWUSJADPUNC-MNOVXSKESA-N	2	0	323.397	-1.144	20	0		DAADRP
C[NH+](C)CCCC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001370709692	920135873	/nfs/dbraw/zinc/13/58/73/920135873.db2.gz	VKDKDNLULHUWPL-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001370753777	920157216	/nfs/dbraw/zinc/15/72/16/920157216.db2.gz	LESQEBZCEFYKPO-QWHCGFSZSA-N	2	0	324.425	-1.373	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2	ZINC001370751402	920158227	/nfs/dbraw/zinc/15/82/27/920158227.db2.gz	IDSMDFSYFWIVJY-QWHCGFSZSA-N	2	0	324.425	-1.230	20	0		DAADRP
CN(C[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)C[NH+]1CCCC1	ZINC001371002801	920211522	/nfs/dbraw/zinc/21/15/22/920211522.db2.gz	ABXCLQLWIYXUKT-CYBMUJFWSA-N	2	0	314.430	-1.031	20	0		DAADRP
CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)C1	ZINC001371545768	920286994	/nfs/dbraw/zinc/28/69/94/920286994.db2.gz	NUFLBLKXNGVTIM-NSHDSACASA-N	2	0	313.402	-1.026	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1	ZINC001371626111	920291596	/nfs/dbraw/zinc/29/15/96/920291596.db2.gz	XRKQGYAVWBDMNE-NSHDSACASA-N	2	0	311.386	-1.285	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C	ZINC001371824787	920301403	/nfs/dbraw/zinc/30/14/03/920301403.db2.gz	FUKAPNXIVLXWEU-SNVBAGLBSA-N	2	0	301.391	-1.122	20	0		DAADRP
C[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1	ZINC001373221770	920465688	/nfs/dbraw/zinc/46/56/88/920465688.db2.gz	FNKOYADYYGOZSJ-NSHDSACASA-N	2	0	313.402	-1.039	20	0		DAADRP
CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001374284376	920599210	/nfs/dbraw/zinc/59/92/10/920599210.db2.gz	UWFUOGFGQIISOH-ZJUUUORDSA-N	2	0	301.391	-1.042	20	0		DAADRP
CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001374315110	920602067	/nfs/dbraw/zinc/60/20/67/920602067.db2.gz	UWFUOGFGQIISOH-NXEZZACHSA-N	2	0	301.391	-1.042	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O	ZINC001374324160	920602171	/nfs/dbraw/zinc/60/21/71/920602171.db2.gz	FEZPXOGVYWSZPB-VXGBXAGGSA-N	2	0	300.403	-1.124	20	0		DAADRP
CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001374315113	920602659	/nfs/dbraw/zinc/60/26/59/920602659.db2.gz	UWFUOGFGQIISOH-VHSXEESVSA-N	2	0	301.391	-1.042	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O	ZINC001374674946	920687196	/nfs/dbraw/zinc/68/71/96/920687196.db2.gz	SOAGWDVFCSRURD-VXGBXAGGSA-N	2	0	300.403	-1.327	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)NC(N)=O	ZINC001374685548	920693298	/nfs/dbraw/zinc/69/32/98/920693298.db2.gz	OVCLRQADXRRBBW-ZJUUUORDSA-N	2	0	317.390	-2.023	20	0		DAADRP
CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC	ZINC001374686089	920694432	/nfs/dbraw/zinc/69/44/32/920694432.db2.gz	SBPUFPRMWTWNLB-NEPJUHHUSA-N	2	0	300.403	-1.327	20	0		DAADRP
CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(=O)NC)[NH+](C)C	ZINC001374903628	920725554	/nfs/dbraw/zinc/72/55/54/920725554.db2.gz	CJEOHEUJGPAFRH-VHSXEESVSA-N	2	0	301.391	-1.124	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1	ZINC001375269271	920758855	/nfs/dbraw/zinc/75/88/55/920758855.db2.gz	GJOPEEKALQXHRS-LLVKDONJSA-N	2	0	311.386	-1.239	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC(=O)NC(N)=O)CC2)C1	ZINC001375522801	920783643	/nfs/dbraw/zinc/78/36/43/920783643.db2.gz	SNBRFHFBVVGWJA-SNVBAGLBSA-N	2	0	311.386	-1.239	20	0		DAADRP
CNC(=O)C[NH2+]C1(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1	ZINC001375546537	920787118	/nfs/dbraw/zinc/78/71/18/920787118.db2.gz	YPATVHWRFMCUEE-LBPRGKRZSA-N	2	0	312.414	-1.061	20	0		DAADRP
COC[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1	ZINC001376048101	920840374	/nfs/dbraw/zinc/84/03/74/920840374.db2.gz	ITNSGDAQVIXEBZ-GUTXKFCHSA-N	2	0	315.414	-1.359	20	0		DAADRP
CNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001376312651	920917741	/nfs/dbraw/zinc/91/77/41/920917741.db2.gz	FHINUCFACBVXEL-LBPRGKRZSA-N	2	0	322.413	-1.005	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@@H]2C1	ZINC001376413042	920931517	/nfs/dbraw/zinc/93/15/17/920931517.db2.gz	XEDODRDEDFYJDO-GRYCIOLGSA-N	2	0	323.397	-1.334	20	0		DAADRP
C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O	ZINC001376629913	920996654	/nfs/dbraw/zinc/99/66/54/920996654.db2.gz	LTXSSDIZLXUOSZ-RYUDHWBXSA-N	2	0	300.403	-1.245	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(N)=O	ZINC001377603965	921845688	/nfs/dbraw/zinc/84/56/88/921845688.db2.gz	SVSMXWMKRUNNJU-JTQLQIEISA-N	2	0	301.391	-1.042	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C	ZINC001378748363	922002703	/nfs/dbraw/zinc/00/27/03/922002703.db2.gz	CXSVAGVYCIUSKM-MNOVXSKESA-N	2	0	313.402	-1.027	20	0		DAADRP
C[N@H+](CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O)C1CCC1	ZINC001379206501	922071699	/nfs/dbraw/zinc/07/16/99/922071699.db2.gz	ODECZFPZFBALPQ-CHWSQXEVSA-N	2	0	312.414	-1.184	20	0		DAADRP
CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C2([NH+](C)C)CCC2)C1=O	ZINC001379208441	922074761	/nfs/dbraw/zinc/07/47/61/922074761.db2.gz	SPIVCEKUZCNCER-VXGBXAGGSA-N	2	0	312.414	-1.232	20	0		DAADRP
C[N@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1)C1CCC1	ZINC001379208860	922075598	/nfs/dbraw/zinc/07/55/98/922075598.db2.gz	UAOISUYWBZMKIJ-CYBMUJFWSA-N	2	0	312.414	-1.230	20	0		DAADRP
COC[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1	ZINC001379236691	922090036	/nfs/dbraw/zinc/09/00/36/922090036.db2.gz	GOMYWPFFSLGRFT-STQMWFEESA-N	2	0	303.403	-1.598	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2cnnn2C)C1	ZINC001379245032	922092331	/nfs/dbraw/zinc/09/23/31/922092331.db2.gz	QJGHKQMLYZXTRH-WCQYABFASA-N	2	0	310.402	-1.276	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2cnnn2C)C1	ZINC001379245023	922095133	/nfs/dbraw/zinc/09/51/33/922095133.db2.gz	QJGHKQMLYZXTRH-DGCLKSJQSA-N	2	0	310.402	-1.276	20	0		DAADRP
O=C(C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)N1CCCC1	ZINC001379253476	922101835	/nfs/dbraw/zinc/10/18/35/922101835.db2.gz	ANZLWRJEFGKQSP-ZDUSSCGKSA-N	2	0	324.425	-1.229	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001379259639	922106208	/nfs/dbraw/zinc/10/62/08/922106208.db2.gz	PZVLWNJUSGMKCT-LBPRGKRZSA-N	2	0	312.414	-1.327	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C(C)C	ZINC001379299979	922119179	/nfs/dbraw/zinc/11/91/79/922119179.db2.gz	YRMXTYNPMYRGJE-SNVBAGLBSA-N	2	0	317.390	-2.151	20	0		DAADRP
C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001379357907	922132095	/nfs/dbraw/zinc/13/20/95/922132095.db2.gz	KFAHPEXXBYARJK-KOLCDFICSA-N	2	0	311.386	-1.383	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C	ZINC001379395442	922152324	/nfs/dbraw/zinc/15/23/24/922152324.db2.gz	IUPSXTRLURHIIC-KXUCPTDWSA-N	2	0	315.374	-2.412	20	0		DAADRP
C[N@H+](CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O)C1CCC1	ZINC001379410087	922162111	/nfs/dbraw/zinc/16/21/11/922162111.db2.gz	KADCQCFNQSCIJG-DGCLKSJQSA-N	2	0	312.414	-1.184	20	0		DAADRP
O=C(NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O)C12CCC[NH+]1CCC2	ZINC001379433632	922174596	/nfs/dbraw/zinc/17/45/96/922174596.db2.gz	LCAQJEBGCSBLJM-STQMWFEESA-N	2	0	324.425	-1.040	20	0		DAADRP
CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001379468040	922187198	/nfs/dbraw/zinc/18/71/98/922187198.db2.gz	FTVROSYALIYJAY-SRVKXCTJSA-N	2	0	300.403	-1.471	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C	ZINC001379470519	922187408	/nfs/dbraw/zinc/18/74/08/922187408.db2.gz	XUBGCPOJDYJVNF-SNVBAGLBSA-N	2	0	301.391	-1.124	20	0		DAADRP
COC[C@H](O)C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2	ZINC001379505600	922206241	/nfs/dbraw/zinc/20/62/41/922206241.db2.gz	OMXFXDCGJSOMBB-NWDGAFQWSA-N	2	0	301.387	-1.844	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCN(C)C1=O	ZINC001379504038	922206872	/nfs/dbraw/zinc/20/68/72/922206872.db2.gz	RVONOXKMXYMFAS-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001379526714	922218109	/nfs/dbraw/zinc/21/81/09/922218109.db2.gz	KNWKIPWQZZJSCW-RYUDHWBXSA-N	2	0	300.403	-1.471	20	0		DAADRP
CN(C[C@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001379761694	922253112	/nfs/dbraw/zinc/25/31/12/922253112.db2.gz	RWKJHOIZHVDWCT-CHWSQXEVSA-N	2	0	312.414	-1.232	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C	ZINC001379846951	922278542	/nfs/dbraw/zinc/27/85/42/922278542.db2.gz	XVECVBLMXGJTOZ-NEPJUHHUSA-N	2	0	300.403	-1.422	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C	ZINC001379846965	922279013	/nfs/dbraw/zinc/27/90/13/922279013.db2.gz	XVECVBLMXGJTOZ-RYUDHWBXSA-N	2	0	300.403	-1.422	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH+](C)[C@H]1CCNC1=O	ZINC001379970096	922309667	/nfs/dbraw/zinc/30/96/67/922309667.db2.gz	KTFFJNCDIMLJEP-OLZOCXBDSA-N	2	0	314.430	-1.034	20	0		DAADRP
C[NH+](C)C1(C(=O)NCC2([NH2+]CC(=O)NC(N)=O)CC2)CCC1	ZINC001380080171	922323181	/nfs/dbraw/zinc/32/31/81/922323181.db2.gz	KKLKXEMVWXHAIG-UHFFFAOYSA-N	2	0	311.386	-1.096	20	0		DAADRP
C[C@H]([NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1)C(=O)NC(N)=O	ZINC001380169132	922337830	/nfs/dbraw/zinc/33/78/30/922337830.db2.gz	KZASFZARNBJRBQ-JTQLQIEISA-N	2	0	311.386	-1.096	20	0		DAADRP
C[C@@H]([NH2+]CCN(CCO)C(=O)C1([NH+](C)C)CCC1)C(N)=O	ZINC001380764775	922450492	/nfs/dbraw/zinc/45/04/92/922450492.db2.gz	LGPJHFNBLHWZBT-LLVKDONJSA-N	2	0	300.403	-1.245	20	0		DAADRP
CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]2CCC[N@@H+]2C)C1=O	ZINC001380761812	922451991	/nfs/dbraw/zinc/45/19/91/922451991.db2.gz	HJYDXXOABVQYGQ-CHWSQXEVSA-N	2	0	312.414	-1.278	20	0		DAADRP
CC[C@H](C(=O)N(CCO)CC[NH2+][C@@H]1CCN(C)C1=O)[NH+](C)C	ZINC001380765492	922454354	/nfs/dbraw/zinc/45/43/54/922454354.db2.gz	MDADSBWALIACLW-CHWSQXEVSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[C@H]([NH2+]CCN(CCO)C(=O)C1([NH+](C)C)CCC1)C(N)=O	ZINC001380764780	922455086	/nfs/dbraw/zinc/45/50/86/922455086.db2.gz	LGPJHFNBLHWZBT-NSHDSACASA-N	2	0	300.403	-1.245	20	0		DAADRP
C[NH+](C)C1(C(=O)N(CCO)CC[NH2+][C@H]2CCNC2=O)CCC1	ZINC001380765678	922455481	/nfs/dbraw/zinc/45/54/81/922455481.db2.gz	NOMDOIDCMMDGRF-LBPRGKRZSA-N	2	0	312.414	-1.230	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1	ZINC001380917036	922478992	/nfs/dbraw/zinc/47/89/92/922478992.db2.gz	XPMXNVCOOMVGAP-KGLIPLIRSA-N	2	0	324.425	-1.109	20	0		DAADRP
CC[N@H+](C)CCC(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1	ZINC001381038359	922494015	/nfs/dbraw/zinc/49/40/15/922494015.db2.gz	AABGENJFEYOZSY-CQSZACIVSA-N	2	0	300.403	-1.243	20	0		DAADRP
CNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1	ZINC001381168122	922507997	/nfs/dbraw/zinc/50/79/97/922507997.db2.gz	LYCWHGIOFSUXTR-GFCCVEGCSA-N	2	0	312.414	-1.373	20	0		DAADRP
CNC(=O)C[NH2+]CC1(O)CCN(C(=O)C23CC[NH+](CC2)C3)CC1	ZINC001381158077	922508189	/nfs/dbraw/zinc/50/81/89/922508189.db2.gz	SCBVDYDILYDENN-UHFFFAOYSA-N	2	0	324.425	-1.229	20	0		DAADRP
COC[C@H](O)C[NH+]1CCC(CO)(NC(=O)CC[NH+](C)C)CC1	ZINC001381256579	922516041	/nfs/dbraw/zinc/51/60/41/922516041.db2.gz	UXRRTACBUMQXQZ-CYBMUJFWSA-N	2	0	317.430	-1.112	20	0		DAADRP
CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C)CC[N@@H+]1C	ZINC001382207590	922617030	/nfs/dbraw/zinc/61/70/30/922617030.db2.gz	KOJGTTSVOAQDTB-FRRDWIJNSA-N	2	0	314.430	-1.128	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C1CCC1	ZINC001382216238	922625543	/nfs/dbraw/zinc/62/55/43/922625543.db2.gz	RMTSXGSRSUKQJA-WDEREUQCSA-N	2	0	300.403	-1.328	20	0		DAADRP
C[C@@H]([NH2+][C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C	ZINC001382232343	922632357	/nfs/dbraw/zinc/63/23/57/922632357.db2.gz	CGVPGAOADYIYJY-NEPJUHHUSA-N	2	0	314.430	-1.128	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCc2ncnn21	ZINC001382237441	922635785	/nfs/dbraw/zinc/63/57/85/922635785.db2.gz	QZOKKUPYGBRULV-RYUDHWBXSA-N	2	0	310.402	-1.216	20	0		DAADRP
CNC(=O)C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C	ZINC001382250891	922644069	/nfs/dbraw/zinc/64/40/69/922644069.db2.gz	ONOVPGCWCKWTPE-NSHDSACASA-N	2	0	302.419	-1.223	20	0		DAADRP
O=C(NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O)C12CC[NH+](CC1)C2	ZINC001382268240	922651289	/nfs/dbraw/zinc/65/12/89/922651289.db2.gz	UFFBIKHUNCWIFM-VXGBXAGGSA-N	2	0	310.398	-1.573	20	0		DAADRP
CNC(=O)C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C(C)C)CC1	ZINC001382266819	922653245	/nfs/dbraw/zinc/65/32/45/922653245.db2.gz	VETOXWKTPVJVPW-ZDUSSCGKSA-N	2	0	314.430	-1.081	20	0		DAADRP
C[C@H]([NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O	ZINC001382277188	922660843	/nfs/dbraw/zinc/66/08/43/922660843.db2.gz	ZYCNVHHREXZXJJ-UWVGGRQHSA-N	2	0	315.374	-2.268	20	0		DAADRP
Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1=O	ZINC001382276847	922661022	/nfs/dbraw/zinc/66/10/22/922661022.db2.gz	YYUFGAPHEJOMLR-ZIAGYGMSSA-N	2	0	322.409	-1.096	20	0		DAADRP
C[C@@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O	ZINC001382277187	922663044	/nfs/dbraw/zinc/66/30/44/922663044.db2.gz	ZYCNVHHREXZXJJ-NXEZZACHSA-N	2	0	315.374	-2.268	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)C1CC[NH+](C)CC1	ZINC001382414401	922734391	/nfs/dbraw/zinc/73/43/91/922734391.db2.gz	OMURVKCIIVAEFB-CHWSQXEVSA-N	2	0	312.414	-1.374	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001382439922	922751472	/nfs/dbraw/zinc/75/14/72/922751472.db2.gz	HGJRFWUTNSYNJE-OLZOCXBDSA-N	2	0	314.430	-1.128	20	0		DAADRP
CC[NH+](CC)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001382438086	922752157	/nfs/dbraw/zinc/75/21/57/922752157.db2.gz	DDCFSJNRWPFRHK-CHWSQXEVSA-N	2	0	314.430	-1.127	20	0		DAADRP
CN(C[C@H](O)C[NH2+]Cc1cnnn1C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001382444905	922757926	/nfs/dbraw/zinc/75/79/26/922757926.db2.gz	POGFGDJYENUZOE-WCQYABFASA-N	2	0	310.402	-1.324	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)C[NH+]1CCCC1	ZINC001382445793	922758034	/nfs/dbraw/zinc/75/80/34/922758034.db2.gz	RFUCQAAENHDLJU-QWHCGFSZSA-N	2	0	312.414	-1.230	20	0		DAADRP
COC[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C	ZINC001382476416	922778046	/nfs/dbraw/zinc/77/80/46/922778046.db2.gz	PLTIRWKKDKCALU-MGPQQGTHSA-N	2	0	317.430	-1.161	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)NC(=O)Cc2ncc[nH]2)C1	ZINC001382627080	922823229	/nfs/dbraw/zinc/82/32/29/922823229.db2.gz	BVNIPTJPEZVENX-NWDGAFQWSA-N	2	0	323.397	-1.113	20	0		DAADRP
C[NH+](C)CCC(=O)NC1(CCO)CN(C(=O)CC[NH+](C)C)C1	ZINC001383166024	922893262	/nfs/dbraw/zinc/89/32/62/922893262.db2.gz	NTBVTPJGZOHIOA-UHFFFAOYSA-N	2	0	314.430	-1.031	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001383901151	922966550	/nfs/dbraw/zinc/96/65/50/922966550.db2.gz	YWXOGDHJGWTJPE-NEPJUHHUSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O	ZINC001384033782	923034025	/nfs/dbraw/zinc/03/40/25/923034025.db2.gz	WHYGDLJXHGIXTK-CHWSQXEVSA-N	2	0	324.425	-1.278	20	0		DAADRP
CC[C@@H](C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)[NH+](C)C	ZINC001384832907	923131245	/nfs/dbraw/zinc/13/12/45/923131245.db2.gz	SFFAVAVHZGKUSB-AGIUHOORSA-N	2	0	314.430	-1.034	20	0		DAADRP
CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1	ZINC001384832922	923131892	/nfs/dbraw/zinc/13/18/92/923131892.db2.gz	SNBYWGNDMZLTEZ-OLZOCXBDSA-N	2	0	314.430	-1.032	20	0		DAADRP
CCC[N@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[NH+](C)C1	ZINC001389095025	923548980	/nfs/dbraw/zinc/54/89/80/923548980.db2.gz	ILJQNSUBLGZGPZ-OLZOCXBDSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[NH+](C)CCC(=O)N1CCC[C@H](C[NH2+]CC(=O)NC(N)=O)C1	ZINC001390102729	923716893	/nfs/dbraw/zinc/71/68/93/923716893.db2.gz	ZIWMAFUDXYUVAD-LLVKDONJSA-N	2	0	313.402	-1.039	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001390570663	923759545	/nfs/dbraw/zinc/75/95/45/923759545.db2.gz	ZTEZVNFJXVGMPV-NSHDSACASA-N	2	0	323.397	-1.272	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001391217893	923820072	/nfs/dbraw/zinc/82/00/72/923820072.db2.gz	GKPUCTVUCWDAFW-GHMZBOCLSA-N	2	0	313.402	-1.170	20	0		DAADRP
CC[NH+](CC)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001392099934	923933470	/nfs/dbraw/zinc/93/34/70/923933470.db2.gz	QYHQNFCFXYXZNX-QWHCGFSZSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001392100504	923933664	/nfs/dbraw/zinc/93/36/64/923933664.db2.gz	NIBSPVHQXQJNKU-GHMZBOCLSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001392125876	923938415	/nfs/dbraw/zinc/93/84/15/923938415.db2.gz	QVAXITGIRGGANE-MNOVXSKESA-N	2	0	313.402	-1.040	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001392374369	923985348	/nfs/dbraw/zinc/98/53/48/923985348.db2.gz	JVEKVKSGFMBBET-STQMWFEESA-N	2	0	312.414	-1.469	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001392374360	923987011	/nfs/dbraw/zinc/98/70/11/923987011.db2.gz	JVEKVKSGFMBBET-OLZOCXBDSA-N	2	0	312.414	-1.469	20	0		DAADRP
CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C2CCC2)C1=O	ZINC001392376828	923988879	/nfs/dbraw/zinc/98/88/79/923988879.db2.gz	RADHILNUVROJCT-QWHCGFSZSA-N	2	0	312.414	-1.232	20	0		DAADRP
CN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C2CCC2)C1=O	ZINC001392376829	923990268	/nfs/dbraw/zinc/99/02/68/923990268.db2.gz	RADHILNUVROJCT-STQMWFEESA-N	2	0	312.414	-1.232	20	0		DAADRP
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1	ZINC001392389786	924002437	/nfs/dbraw/zinc/00/24/37/924002437.db2.gz	OZIIKRYTVAUBJB-QWHCGFSZSA-N	2	0	312.414	-1.230	20	0		DAADRP
CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1	ZINC001392390233	924003333	/nfs/dbraw/zinc/00/33/33/924003333.db2.gz	HRPBCEHUMXUDDA-RYUDHWBXSA-N	2	0	300.403	-1.340	20	0		DAADRP
CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1	ZINC001392390232	924003961	/nfs/dbraw/zinc/00/39/61/924003961.db2.gz	HRPBCEHUMXUDDA-NWDGAFQWSA-N	2	0	300.403	-1.340	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001392394290	924005650	/nfs/dbraw/zinc/00/56/50/924005650.db2.gz	PCNANZJGAIZABC-RWMBFGLXSA-N	2	0	314.430	-1.081	20	0		DAADRP
COC[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2	ZINC001392395224	924008580	/nfs/dbraw/zinc/00/85/80/924008580.db2.gz	YNYNYQCLKGOIPD-CHWSQXEVSA-N	2	0	315.414	-1.311	20	0		DAADRP
C[C@H]1C[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)CC[N@@H+]1C	ZINC001392396743	924010257	/nfs/dbraw/zinc/01/02/57/924010257.db2.gz	UBVPIYAMRUNUTQ-RWMBFGLXSA-N	2	0	314.430	-1.128	20	0		DAADRP
C[C@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)[NH+]1CCCCCC1	ZINC001392414104	924019213	/nfs/dbraw/zinc/01/92/13/924019213.db2.gz	VQDRPTVJMYUIQB-VXGBXAGGSA-N	2	0	300.403	-1.197	20	0		DAADRP
C[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)[NH+]1CCCCCC1	ZINC001392414094	924020050	/nfs/dbraw/zinc/02/00/50/924020050.db2.gz	VQDRPTVJMYUIQB-NEPJUHHUSA-N	2	0	300.403	-1.197	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)CC1CC[NH+](C)CC1	ZINC001392411651	924021133	/nfs/dbraw/zinc/02/11/33/924021133.db2.gz	XAQIYTSVLPYFPY-ZDUSSCGKSA-N	2	0	314.430	-1.127	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001392427015	924028197	/nfs/dbraw/zinc/02/81/97/924028197.db2.gz	SLRLKXQNPOQSJZ-QWHCGFSZSA-N	2	0	314.430	-1.081	20	0		DAADRP
C[C@@H]([NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)N(C)C	ZINC001392431465	924030485	/nfs/dbraw/zinc/03/04/85/924030485.db2.gz	WPLUOXGITZSXNR-NEPJUHHUSA-N	2	0	300.403	-1.374	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1	ZINC001392946983	924098494	/nfs/dbraw/zinc/09/84/94/924098494.db2.gz	GTTFWACFFAVIDI-UHFFFAOYSA-N	2	0	323.397	-1.224	20	0		DAADRP
C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(=O)NC(N)=O	ZINC001392957645	924102078	/nfs/dbraw/zinc/10/20/78/924102078.db2.gz	XFXLNOIBCMRTTG-VHSXEESVSA-N	2	0	311.386	-1.240	20	0		DAADRP
CC[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1	ZINC001393271694	924143133	/nfs/dbraw/zinc/14/31/33/924143133.db2.gz	BVQBGOUWWPFZOT-IUODEOHRSA-N	2	0	312.414	-1.101	20	0		DAADRP
CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1	ZINC001393282053	924152863	/nfs/dbraw/zinc/15/28/63/924152863.db2.gz	WIMYVDVIGWCXLI-RISCZKNCSA-N	2	0	300.403	-1.374	20	0		DAADRP
CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1	ZINC001393282062	924153727	/nfs/dbraw/zinc/15/37/27/924153727.db2.gz	WIMYVDVIGWCXLI-SMDDNHRTSA-N	2	0	300.403	-1.374	20	0		DAADRP
NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1	ZINC001393575461	924228060	/nfs/dbraw/zinc/22/80/60/924228060.db2.gz	DCQDRIKINCFHPA-CHWSQXEVSA-N	2	0	310.398	-1.370	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CCO1	ZINC001393582254	924229424	/nfs/dbraw/zinc/22/94/24/924229424.db2.gz	FGRGAMUKSWALMR-OLZOCXBDSA-N	2	0	312.414	-1.109	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CCO1	ZINC001393582267	924231181	/nfs/dbraw/zinc/23/11/81/924231181.db2.gz	FGRGAMUKSWALMR-STQMWFEESA-N	2	0	312.414	-1.109	20	0		DAADRP
CN(CCC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CC[NH+](C)C1	ZINC001393643463	924237181	/nfs/dbraw/zinc/23/71/81/924237181.db2.gz	HTSROGNGAJGVHM-NSHDSACASA-N	2	0	313.402	-1.087	20	0		DAADRP
CCC[N@H+](C)CC(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1	ZINC001393701114	924244875	/nfs/dbraw/zinc/24/48/75/924244875.db2.gz	HDDLOOQXAPXMBB-CQSZACIVSA-N	2	0	300.403	-1.243	20	0		DAADRP
C[NH+](C)CCCC(=O)NC[C@H](CO)[NH2+][C@H]1CCCNC1=O	ZINC001394617884	924341328	/nfs/dbraw/zinc/34/13/28/924341328.db2.gz	FFAZSJOFICMARN-NEPJUHHUSA-N	2	0	300.403	-1.327	20	0		DAADRP
C[NH+](C)CCCC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O	ZINC001394617894	924342483	/nfs/dbraw/zinc/34/24/83/924342483.db2.gz	FFAZSJOFICMARN-NWDGAFQWSA-N	2	0	300.403	-1.327	20	0		DAADRP
CN1CCC[C@H]([NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)C1=O	ZINC001394624335	924344938	/nfs/dbraw/zinc/34/49/38/924344938.db2.gz	WLDOFPOIOBXGGK-RYUDHWBXSA-N	2	0	300.403	-1.374	20	0		DAADRP
CS(=O)(=O)CC[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2	ZINC001394646049	924353107	/nfs/dbraw/zinc/35/31/07/924353107.db2.gz	AIIYMOUKPNQNRI-NSHDSACASA-N	2	0	319.427	-1.807	20	0		DAADRP
CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCC1)[NH+](C)C	ZINC001394749157	924376483	/nfs/dbraw/zinc/37/64/83/924376483.db2.gz	BOAOTABOFJAYPM-OLZOCXBDSA-N	2	0	314.430	-1.032	20	0		DAADRP
CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1)C(N)=O	ZINC001394754408	924377988	/nfs/dbraw/zinc/37/79/88/924377988.db2.gz	NDBCBRBKRWRMEY-NEPJUHHUSA-N	2	0	300.403	-1.245	20	0		DAADRP
CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1)C(N)=O	ZINC001394754416	924378119	/nfs/dbraw/zinc/37/81/19/924378119.db2.gz	NDBCBRBKRWRMEY-VXGBXAGGSA-N	2	0	300.403	-1.245	20	0		DAADRP
COC[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2	ZINC001394758669	924379960	/nfs/dbraw/zinc/37/99/60/924379960.db2.gz	QFRJDNAMJLDZOX-CHWSQXEVSA-N	2	0	315.414	-1.502	20	0		DAADRP
CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]CC(=O)NC(N)=O)C1	ZINC001394860879	924396267	/nfs/dbraw/zinc/39/62/67/924396267.db2.gz	LNJMUGLJGNPVOR-KPPDAEKUSA-N	2	0	311.386	-1.288	20	0		DAADRP
CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]CC(=O)NC(N)=O)C1	ZINC001394860880	924396554	/nfs/dbraw/zinc/39/65/54/924396554.db2.gz	LNJMUGLJGNPVOR-WHXUTIOJSA-N	2	0	311.386	-1.288	20	0		DAADRP
CN(C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)CC[NH+](C)C	ZINC001396053009	924506032	/nfs/dbraw/zinc/50/60/32/924506032.db2.gz	PXBVTLSTPXVVKF-CHWSQXEVSA-N	2	0	314.430	-1.032	20	0		DAADRP
CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O	ZINC001396428746	924522934	/nfs/dbraw/zinc/52/29/34/924522934.db2.gz	NIAMDBHPGUTHBY-OLZOCXBDSA-N	2	0	314.430	-1.032	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1	ZINC001398534391	924646046	/nfs/dbraw/zinc/64/60/46/924646046.db2.gz	IEANUUAPJLUUNJ-NSHDSACASA-N	2	0	311.386	-1.272	20	0		DAADRP
C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001398621580	924657343	/nfs/dbraw/zinc/65/73/43/924657343.db2.gz	JENSESXMGHYYOW-AXFHLTTASA-N	2	0	311.386	-1.098	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001398927261	924678844	/nfs/dbraw/zinc/67/88/44/924678844.db2.gz	TZFCQAQQKXIEOG-HBNTYKKESA-N	2	0	313.402	-1.124	20	0		DAADRP
C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCNC(=O)C1	ZINC001399020106	924685023	/nfs/dbraw/zinc/68/50/23/924685023.db2.gz	ISOBUJCBNRMYTA-NSHDSACASA-N	2	0	313.402	-2.009	20	0		DAADRP
C[C@@H]([NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)C(=O)NC(N)=O	ZINC001399125500	924692010	/nfs/dbraw/zinc/69/20/10/924692010.db2.gz	TWUJRCJVSRLYOM-VHSXEESVSA-N	2	0	311.386	-1.240	20	0		DAADRP
C[NH+](C)Cc1ccsc1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O	ZINC001401546838	924881186	/nfs/dbraw/zinc/88/11/86/924881186.db2.gz	UVWJLJWVSYZIRO-JTQLQIEISA-N	2	0	314.411	-1.025	20	0		DAADRP
COC[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1	ZINC001401550466	924885084	/nfs/dbraw/zinc/88/50/84/924885084.db2.gz	GOMYWPFFSLGRFT-CHWSQXEVSA-N	2	0	303.403	-1.598	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1	ZINC001401552629	924885478	/nfs/dbraw/zinc/88/54/78/924885478.db2.gz	CMWPJHBZYVSPNM-CYBMUJFWSA-N	2	0	314.430	-1.079	20	0		DAADRP
CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C2CC[NH+](C)CC2)C1=O	ZINC001401556186	924888551	/nfs/dbraw/zinc/88/85/51/924888551.db2.gz	NTXAQKAJUQUKHR-QWHCGFSZSA-N	2	0	312.414	-1.374	20	0		DAADRP
C[NH+](C)CC1(C(=O)NC[C@H](O)C[NH2+][C@H]2CCCNC2=O)CC1	ZINC001401559588	924890293	/nfs/dbraw/zinc/89/02/93/924890293.db2.gz	DBKIPZRQSQGDOT-NEPJUHHUSA-N	2	0	312.414	-1.327	20	0		DAADRP
CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)[NH+](C)C	ZINC001401563485	924892245	/nfs/dbraw/zinc/89/22/45/924892245.db2.gz	IIZNOMZOSXNCDI-AAEUAGOBSA-N	2	0	302.419	-1.273	20	0		DAADRP
C[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O)CC1	ZINC001401565838	924894055	/nfs/dbraw/zinc/89/40/55/924894055.db2.gz	WUFITROPOWQCQG-JTQLQIEISA-N	2	0	315.374	-2.410	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2	ZINC001401575264	924899476	/nfs/dbraw/zinc/89/94/76/924899476.db2.gz	WVGXKLCSISMBTE-VXGBXAGGSA-N	2	0	312.414	-1.184	20	0		DAADRP
Cn1[nH]c(C[NH2+]C[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)nc1=O	ZINC001401584940	924902831	/nfs/dbraw/zinc/90/28/31/924902831.db2.gz	OEVDZNIPTAXFJJ-SNVBAGLBSA-N	2	0	324.385	-2.229	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2	ZINC001401719360	924916029	/nfs/dbraw/zinc/91/60/29/924916029.db2.gz	UHCNXOJCCUSCDG-JTQLQIEISA-N	2	0	311.386	-1.368	20	0		DAADRP
COC[C@@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1	ZINC001402711405	925023624	/nfs/dbraw/zinc/02/36/24/925023624.db2.gz	BSWCTOTZNIFRAN-DZGCQCFKSA-N	2	0	317.430	-1.112	20	0		DAADRP
C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CC(=O)NC(N)=O	ZINC001403049871	925049551	/nfs/dbraw/zinc/04/95/51/925049551.db2.gz	YIXZSGUXLKCLSG-VHSXEESVSA-N	2	0	311.386	-1.240	20	0		DAADRP
C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CC(=O)NC(N)=O	ZINC001403049856	925050823	/nfs/dbraw/zinc/05/08/23/925050823.db2.gz	YIXZSGUXLKCLSG-UWVGGRQHSA-N	2	0	311.386	-1.240	20	0		DAADRP
CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1	ZINC001403216436	925063401	/nfs/dbraw/zinc/06/34/01/925063401.db2.gz	FBFWLUOHGQXCFK-OLZOCXBDSA-N	2	0	312.414	-1.109	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1	ZINC001403248515	925067262	/nfs/dbraw/zinc/06/72/62/925067262.db2.gz	CEMQOBWIUXIOMM-LLVKDONJSA-N	2	0	313.402	-1.040	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1	ZINC001403243216	925067460	/nfs/dbraw/zinc/06/74/60/925067460.db2.gz	IAZWMQQKJCJNJH-NSHDSACASA-N	2	0	313.402	-1.168	20	0		DAADRP
CC[N@H+](C)CCC(=O)N[C@H](C)C1CN(CC(=O)NC(N)=O)C1	ZINC001403325207	925070355	/nfs/dbraw/zinc/07/03/55/925070355.db2.gz	KBBLVLKJVSXPGH-SNVBAGLBSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[N@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O)C1CCC1	ZINC001403664096	925107087	/nfs/dbraw/zinc/10/70/87/925107087.db2.gz	GWNJSIDZZMEQMS-VIFPVBQESA-N	2	0	315.374	-2.268	20	0		DAADRP
C[N@H+](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O)C1CCC1	ZINC001403664082	925107137	/nfs/dbraw/zinc/10/71/37/925107137.db2.gz	GWNJSIDZZMEQMS-SECBINFHSA-N	2	0	315.374	-2.268	20	0		DAADRP
CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1	ZINC001403693909	925118083	/nfs/dbraw/zinc/11/80/83/925118083.db2.gz	CQISWHDJDLLLNR-LBPRGKRZSA-N	2	0	300.403	-1.517	20	0		DAADRP
CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1	ZINC001403693895	925119253	/nfs/dbraw/zinc/11/92/53/925119253.db2.gz	CQISWHDJDLLLNR-GFCCVEGCSA-N	2	0	300.403	-1.517	20	0		DAADRP
CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)C1=O	ZINC001403705656	925122990	/nfs/dbraw/zinc/12/29/90/925122990.db2.gz	UEFMTURIZRYWKY-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)C1=O	ZINC001403705649	925123284	/nfs/dbraw/zinc/12/32/84/925123284.db2.gz	UEFMTURIZRYWKY-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
C[C@H]([NH2+][C@@H](CO)CNC(=O)COC1CC[NH+](C)CC1)C(N)=O	ZINC001403720386	925128305	/nfs/dbraw/zinc/12/83/05/925128305.db2.gz	MTAWNPBBVVHUCY-WDEREUQCSA-N	2	0	316.402	-1.962	20	0		DAADRP
O=C(C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)NCC1CC1	ZINC001403724196	925130364	/nfs/dbraw/zinc/13/03/64/925130364.db2.gz	KPSARUJXVFOHFV-ZDUSSCGKSA-N	2	0	324.425	-1.325	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O)C1	ZINC001403723891	925131394	/nfs/dbraw/zinc/13/13/94/925131394.db2.gz	JNIKZLCYUBDKOI-UWVGGRQHSA-N	2	0	315.374	-2.410	20	0		DAADRP
Cn1cc(CC[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1	ZINC001403749233	925136871	/nfs/dbraw/zinc/13/68/71/925136871.db2.gz	PSKHFCUVVBBYMJ-ZIAGYGMSSA-N	2	0	309.414	-1.019	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCCC2)C1	ZINC001403751504	925137225	/nfs/dbraw/zinc/13/72/25/925137225.db2.gz	QVYOAYUVSPTTMM-QWHCGFSZSA-N	2	0	312.414	-1.373	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C	ZINC001403856068	925155692	/nfs/dbraw/zinc/15/56/92/925155692.db2.gz	RCXGMCDZYVBEAI-QWHCGFSZSA-N	2	0	314.430	-1.032	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2	ZINC001403875094	925160650	/nfs/dbraw/zinc/16/06/50/925160650.db2.gz	FFMOORGYOVQJHY-RYUDHWBXSA-N	2	0	312.414	-1.374	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@H](O)C[N@H+](C)CCO	ZINC001403924022	925172034	/nfs/dbraw/zinc/17/20/34/925172034.db2.gz	YAPJXEIOPIHHLX-UONOGXRCSA-N	2	0	317.430	-1.302	20	0		DAADRP
CC[N@H+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[NH+](C)C1	ZINC001405291992	925279991	/nfs/dbraw/zinc/27/99/91/925279991.db2.gz	WMNKDLAUBTYIPI-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001405334729	925289481	/nfs/dbraw/zinc/28/94/81/925289481.db2.gz	LMPIMIFNNNZOIH-OLZOCXBDSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001405334797	925290720	/nfs/dbraw/zinc/29/07/20/925290720.db2.gz	LMPIMIFNNNZOIH-QWHCGFSZSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)C[NH+]1CCCC1	ZINC001405380133	925303012	/nfs/dbraw/zinc/30/30/12/925303012.db2.gz	XINKQIMHYCEABT-GFCCVEGCSA-N	2	0	300.403	-1.373	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[NH+](C)C1	ZINC001405406181	925307619	/nfs/dbraw/zinc/30/76/19/925307619.db2.gz	YKEYNZIZVRUONL-CHWSQXEVSA-N	2	0	314.430	-1.127	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001406254660	925378615	/nfs/dbraw/zinc/37/86/15/925378615.db2.gz	KLUBKPBVOCTGDS-VXGBXAGGSA-N	2	0	300.403	-1.328	20	0		DAADRP
CN1CCC[C@H]([NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)C1=O	ZINC001406253518	925379580	/nfs/dbraw/zinc/37/95/80/925379580.db2.gz	CRMXIYIWMRNCKP-RYUDHWBXSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC[C@H]([NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1)C(N)=O	ZINC001406258707	925382024	/nfs/dbraw/zinc/38/20/24/925382024.db2.gz	NHWSZAZXEMBBFT-RYUDHWBXSA-N	2	0	300.403	-1.341	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)CC1CC[NH+](C)CC1	ZINC001406266541	925385675	/nfs/dbraw/zinc/38/56/75/925385675.db2.gz	MOYKTODHLJFZON-YPMHNXCESA-N	2	0	314.430	-1.081	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1	ZINC001406263865	925385996	/nfs/dbraw/zinc/38/59/96/925385996.db2.gz	FZDHGAQQLVCJQJ-QWRGUYRKSA-N	2	0	300.403	-1.471	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)CC1CC[NH+](C)CC1	ZINC001406266525	925386809	/nfs/dbraw/zinc/38/68/09/925386809.db2.gz	MOYKTODHLJFZON-AAEUAGOBSA-N	2	0	314.430	-1.081	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](O)CNC(=O)COC1CC[NH+](C)CC1	ZINC001406269013	925388647	/nfs/dbraw/zinc/38/86/47/925388647.db2.gz	BWYQSOZUGJGORN-NSHDSACASA-N	2	0	316.402	-2.090	20	0		DAADRP
CC(C)N(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001406284168	925394079	/nfs/dbraw/zinc/39/40/79/925394079.db2.gz	JXZQMMNUQONPGP-QWHCGFSZSA-N	2	0	314.430	-1.128	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1	ZINC001406293380	925397386	/nfs/dbraw/zinc/39/73/86/925397386.db2.gz	QNBVVCVQXYBISO-GFCCVEGCSA-N	2	0	300.403	-1.373	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O	ZINC001406315514	925401641	/nfs/dbraw/zinc/40/16/41/925401641.db2.gz	YUAGPAYIRIUHIM-RYUDHWBXSA-N	2	0	300.403	-1.376	20	0		DAADRP
CNC(=O)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCOCC1	ZINC001407293859	925461886	/nfs/dbraw/zinc/46/18/86/925461886.db2.gz	HYLDDGZEQUWCNA-UHFFFAOYSA-N	2	0	300.403	-1.061	20	0		DAADRP
CC(C)[C@H](C(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O)[NH+](C)C	ZINC001407662866	925517452	/nfs/dbraw/zinc/51/74/52/925517452.db2.gz	QOEDIIIBCMLUFE-CHWSQXEVSA-N	2	0	314.430	-1.128	20	0		DAADRP
NC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001408031057	925541826	/nfs/dbraw/zinc/54/18/26/925541826.db2.gz	VAXFCGDDHNRTJS-OAHLLOKOSA-N	2	0	310.398	-1.489	20	0		DAADRP
CNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1	ZINC001408047307	925542569	/nfs/dbraw/zinc/54/25/69/925542569.db2.gz	ILWGKWXBGYMPII-AWEZNQCLSA-N	2	0	300.403	-1.373	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001410129016	925690889	/nfs/dbraw/zinc/69/08/89/925690889.db2.gz	LWPDMGLYKLRWAK-VXGBXAGGSA-N	2	0	300.403	-1.517	20	0		DAADRP
CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001410641798	925746397	/nfs/dbraw/zinc/74/63/97/925746397.db2.gz	CCTDWZZPGPZCCZ-QWHCGFSZSA-N	2	0	312.414	-1.517	20	0		DAADRP
C[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CC2)CC1	ZINC001410725559	925767055	/nfs/dbraw/zinc/76/70/55/925767055.db2.gz	IACRSLASJPGPEF-CYBMUJFWSA-N	2	0	312.414	-1.327	20	0		DAADRP
C[C@H]([NH2+][C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1)C(N)=O	ZINC001410723909	925768250	/nfs/dbraw/zinc/76/82/50/925768250.db2.gz	JWFNXOMUAHSENS-CMPLNLGQSA-N	2	0	300.403	-1.341	20	0		DAADRP
CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001410757949	925773332	/nfs/dbraw/zinc/77/33/32/925773332.db2.gz	VGRAXKYBMHWSAG-RKDXNWHRSA-N	2	0	303.363	-2.412	20	0		DAADRP
CN(C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1	ZINC001410775817	925777584	/nfs/dbraw/zinc/77/75/84/925777584.db2.gz	AJZZRDWDOVXIAY-NEPJUHHUSA-N	2	0	312.414	-1.374	20	0		DAADRP
Cn1nccc1CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001410780360	925780483	/nfs/dbraw/zinc/78/04/83/925780483.db2.gz	FIUBMXFGCPTAQC-CHWSQXEVSA-N	2	0	309.414	-1.019	20	0		DAADRP
C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1)C(N)=O	ZINC001411088937	925810945	/nfs/dbraw/zinc/81/09/45/925810945.db2.gz	LRRCBWIMVGJOLP-GHMZBOCLSA-N	2	0	300.403	-1.389	20	0		DAADRP
C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1)C(N)=O	ZINC001411088938	925811810	/nfs/dbraw/zinc/81/18/10/925811810.db2.gz	LRRCBWIMVGJOLP-MNOVXSKESA-N	2	0	300.403	-1.389	20	0		DAADRP
C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1)C(N)=O	ZINC001411088940	925811978	/nfs/dbraw/zinc/81/19/78/925811978.db2.gz	LRRCBWIMVGJOLP-WDEREUQCSA-N	2	0	300.403	-1.389	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001411138489	925818368	/nfs/dbraw/zinc/81/83/68/925818368.db2.gz	LVEWAOCBNPMCPJ-OLZOCXBDSA-N	2	0	312.414	-1.421	20	0		DAADRP
CN(C[C@H](O)C[N@H+](C)[C@H]1CCCNC1=O)C(=O)CC[NH+](C)C	ZINC001411190827	925831614	/nfs/dbraw/zinc/83/16/14/925831614.db2.gz	NOAAAPOWLLYPGU-OLZOCXBDSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)N[C@H](CO)CNC(=O)CC[NH+](C)C)C1	ZINC001412976705	925997643	/nfs/dbraw/zinc/99/76/43/925997643.db2.gz	WNBIUAUAGPXBQL-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)N[C@@H](CO)CNC(=O)CC[NH+](C)C)C1	ZINC001412976697	925997825	/nfs/dbraw/zinc/99/78/25/925997825.db2.gz	WNBIUAUAGPXBQL-CHWSQXEVSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](CO)NC(N)=O)C[C@H]1C[NH+](C)C	ZINC001413414470	926049966	/nfs/dbraw/zinc/04/99/66/926049966.db2.gz	QGXBTEQKXOIBQL-IJLUTSLNSA-N	2	0	315.418	-1.787	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1	ZINC001418011365	926357237	/nfs/dbraw/zinc/35/72/37/926357237.db2.gz	SIMJSVLERGQABX-LLVKDONJSA-N	2	0	323.397	-1.239	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1	ZINC001418010664	926357939	/nfs/dbraw/zinc/35/79/39/926357939.db2.gz	ANGDRVCURZPTQB-NSHDSACASA-N	2	0	311.386	-1.239	20	0		DAADRP
CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1	ZINC001418349690	926385519	/nfs/dbraw/zinc/38/55/19/926385519.db2.gz	NQVMHCDVFBNQAA-NSHDSACASA-N	2	0	313.402	-1.039	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O	ZINC001418833683	926425899	/nfs/dbraw/zinc/42/58/99/926425899.db2.gz	RPIWURXLBLYUSX-RYUDHWBXSA-N	2	0	300.403	-1.124	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+][C@H](C)C(N)=O	ZINC001418833688	926426886	/nfs/dbraw/zinc/42/68/86/926426886.db2.gz	RPIWURXLBLYUSX-VXGBXAGGSA-N	2	0	300.403	-1.124	20	0		DAADRP
CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)NC(N)=O	ZINC001419263908	926470489	/nfs/dbraw/zinc/47/04/89/926470489.db2.gz	PMSOBVZIAHUSIF-SNVBAGLBSA-N	2	0	311.386	-1.239	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC001419504183	926482057	/nfs/dbraw/zinc/48/20/57/926482057.db2.gz	FEJMYNUPSSMMMY-AOOOYVTPSA-N	2	0	309.370	-1.486	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(N)=O	ZINC001419533273	926482927	/nfs/dbraw/zinc/48/29/27/926482927.db2.gz	FPFUULZTFQQMQG-JTQLQIEISA-N	2	0	301.391	-1.137	20	0		DAADRP
C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CC(=O)NC(N)=O	ZINC001419517555	926484163	/nfs/dbraw/zinc/48/41/63/926484163.db2.gz	LVDCXNJEMSMYEE-SNVBAGLBSA-N	2	0	313.402	-1.135	20	0		DAADRP
CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(=O)NC)[NH+](C)C	ZINC001419775362	926499741	/nfs/dbraw/zinc/49/97/41/926499741.db2.gz	PFTQOOOMTVEUMM-NXEZZACHSA-N	2	0	301.391	-1.124	20	0		DAADRP
CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C	ZINC001420014242	926515303	/nfs/dbraw/zinc/51/53/03/926515303.db2.gz	XVKFDOWYUHRBSU-MNOVXSKESA-N	2	0	313.402	-1.040	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001420020318	926517662	/nfs/dbraw/zinc/51/76/62/926517662.db2.gz	UUSHARVBASARRX-GHMZBOCLSA-N	2	0	311.386	-1.429	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C	ZINC001420131981	926536169	/nfs/dbraw/zinc/53/61/69/926536169.db2.gz	WSGAHVOMZIERCW-KXUCPTDWSA-N	2	0	315.374	-2.412	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1	ZINC001420148697	926542879	/nfs/dbraw/zinc/54/28/79/926542879.db2.gz	DFCGXQOOZWCTIU-NSHDSACASA-N	2	0	300.403	-1.517	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1	ZINC001420148695	926542996	/nfs/dbraw/zinc/54/29/96/926542996.db2.gz	DFCGXQOOZWCTIU-LLVKDONJSA-N	2	0	300.403	-1.517	20	0		DAADRP
C[C@H]([NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O	ZINC001420154586	926544676	/nfs/dbraw/zinc/54/46/76/926544676.db2.gz	FKBQAKGBWYTTHR-WDEREUQCSA-N	2	0	300.403	-1.199	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C	ZINC001420153362	926545029	/nfs/dbraw/zinc/54/50/29/926545029.db2.gz	ZYMDJNHKUSJWEJ-VHSXEESVSA-N	2	0	317.390	-2.151	20	0		DAADRP
COC[C@H](O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001420157935	926547432	/nfs/dbraw/zinc/54/74/32/926547432.db2.gz	SAFVUXGQJJDBSF-XDQVBPFNSA-N	2	0	317.430	-1.209	20	0		DAADRP
CC(C)CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001420185764	926555251	/nfs/dbraw/zinc/55/52/51/926555251.db2.gz	ANKYOOOCQXRKDH-STQMWFEESA-N	2	0	314.430	-1.223	20	0		DAADRP
CC(C)CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001420185751	926556570	/nfs/dbraw/zinc/55/65/70/926556570.db2.gz	ANKYOOOCQXRKDH-CHWSQXEVSA-N	2	0	314.430	-1.223	20	0		DAADRP
CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001420191789	926559192	/nfs/dbraw/zinc/55/91/92/926559192.db2.gz	HCZDKCYLBRZCOM-BDAKNGLRSA-N	2	0	303.363	-2.412	20	0		DAADRP
CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001420192854	926559295	/nfs/dbraw/zinc/55/92/95/926559295.db2.gz	RSRWDHBMAIMYEO-NEPJUHHUSA-N	2	0	300.403	-1.471	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1	ZINC001420196357	926559937	/nfs/dbraw/zinc/55/99/37/926559937.db2.gz	ZYAMAIRLFHXULF-VIFPVBQESA-N	2	0	301.347	-2.656	20	0		DAADRP
CN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)C1CC1	ZINC001420197533	926561668	/nfs/dbraw/zinc/56/16/68/926561668.db2.gz	OQOULCMJQUYRMM-CYBMUJFWSA-N	2	0	324.425	-1.230	20	0		DAADRP
C[C@H]([NH2+]C[C@H](O)CNC(=O)CC[NH+]1CCCCC1)C(N)=O	ZINC001420211338	926566177	/nfs/dbraw/zinc/56/61/77/926566177.db2.gz	JTGCKWHMCHCUMN-RYUDHWBXSA-N	2	0	300.403	-1.197	20	0		DAADRP
O=C(CC[NH+]1CCCCC1)NC[C@H](O)C[NH2+][C@H]1CCNC1=O	ZINC001420220855	926567202	/nfs/dbraw/zinc/56/72/02/926567202.db2.gz	YAFSYCZFMDXZGM-OLZOCXBDSA-N	2	0	312.414	-1.182	20	0		DAADRP
CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C	ZINC001420301933	926578863	/nfs/dbraw/zinc/57/88/63/926578863.db2.gz	WRSMAOBLBMTGDP-KOLCDFICSA-N	2	0	301.391	-1.138	20	0		DAADRP
CC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(N)=O)[NH+](C)C	ZINC001420723456	926612488	/nfs/dbraw/zinc/61/24/88/926612488.db2.gz	GLUTZHVZSWYUNN-UWVGGRQHSA-N	2	0	301.391	-1.042	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCn2cncn2)C1	ZINC001421342458	926669391	/nfs/dbraw/zinc/66/93/91/926669391.db2.gz	UNXFGGXIQJVVQC-HIFRSBDPSA-N	2	0	322.413	-1.075	20	0		DAADRP
CC[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CC(N)=O	ZINC001421490111	926717719	/nfs/dbraw/zinc/71/77/19/926717719.db2.gz	NODGYRBXALLLCV-NWDGAFQWSA-N	2	0	300.403	-1.076	20	0		DAADRP
C[NH+]1CCC(OCC(=O)NCC2(O)CN(CCCO)C2)CC1	ZINC001421497211	926719435	/nfs/dbraw/zinc/71/94/35/926719435.db2.gz	ZUAZNOUOHKWFFI-UHFFFAOYSA-N	2	0	315.414	-1.358	20	0		DAADRP
CC[C@@H](C(=O)N(CCO)CC[NH2+][C@H]1CCN(C)C1=O)[NH+](C)C	ZINC001421634930	926736536	/nfs/dbraw/zinc/73/65/36/926736536.db2.gz	MDADSBWALIACLW-STQMWFEESA-N	2	0	314.430	-1.032	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001421801765	926758299	/nfs/dbraw/zinc/75/82/99/926758299.db2.gz	KRCMBHUPOSEGJO-NEPJUHHUSA-N	2	0	300.403	-1.110	20	0		DAADRP
C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C(=O)CC[NH+](C)C	ZINC001421936946	926774338	/nfs/dbraw/zinc/77/43/38/926774338.db2.gz	QKPXDWXBYLRCRD-NXEZZACHSA-N	2	0	301.391	-1.042	20	0		DAADRP
C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C(=O)CC[NH+](C)C	ZINC001421936950	926774871	/nfs/dbraw/zinc/77/48/71/926774871.db2.gz	QKPXDWXBYLRCRD-UWVGGRQHSA-N	2	0	301.391	-1.042	20	0		DAADRP
C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C(=O)CC[NH+](C)C	ZINC001421936957	926775215	/nfs/dbraw/zinc/77/52/15/926775215.db2.gz	QKPXDWXBYLRCRD-ZJUUUORDSA-N	2	0	301.391	-1.042	20	0		DAADRP
NC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1	ZINC001421974981	926778826	/nfs/dbraw/zinc/77/88/26/926778826.db2.gz	ZPRNDCWAVXWDDT-XJKSGUPXSA-N	2	0	324.425	-1.243	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC(=O)NC(N)=O)C1	ZINC001422255722	926803046	/nfs/dbraw/zinc/80/30/46/926803046.db2.gz	LVNUDLDAXIQORB-ILDUYXDCSA-N	2	0	311.386	-1.240	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC1CC1	ZINC001422344286	926840100	/nfs/dbraw/zinc/84/01/00/926840100.db2.gz	GAOWZPKUYVMJSU-CHWSQXEVSA-N	2	0	312.414	-1.327	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC1CC1	ZINC001422344303	926841133	/nfs/dbraw/zinc/84/11/33/926841133.db2.gz	GAOWZPKUYVMJSU-QWHCGFSZSA-N	2	0	312.414	-1.327	20	0		DAADRP
C[N@H+](CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O)CC(C)(C)C	ZINC001422362417	926853368	/nfs/dbraw/zinc/85/33/68/926853368.db2.gz	PEHQRMKCFPXRSZ-RYUDHWBXSA-N	2	0	314.430	-1.081	20	0		DAADRP
CC1CC[NH+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)CC1	ZINC001422376549	926856919	/nfs/dbraw/zinc/85/69/19/926856919.db2.gz	FSMVIFQSJMOACR-ZDUSSCGKSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[C@H]([NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)NC1CC1	ZINC001422403167	926862089	/nfs/dbraw/zinc/86/20/89/926862089.db2.gz	LGWUZLBXZCYPIZ-AAEUAGOBSA-N	2	0	312.414	-1.184	20	0		DAADRP
C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)NC1CC1	ZINC001422403179	926864001	/nfs/dbraw/zinc/86/40/01/926864001.db2.gz	LGWUZLBXZCYPIZ-DGCLKSJQSA-N	2	0	312.414	-1.184	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCC2)C1	ZINC001422408811	926868123	/nfs/dbraw/zinc/86/81/23/926868123.db2.gz	WDGAGIZKBFCVIY-CHWSQXEVSA-N	2	0	312.414	-1.373	20	0		DAADRP
C[C@@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@H]1CC[N@H+](C)C1	ZINC001422743555	926912625	/nfs/dbraw/zinc/91/26/25/926912625.db2.gz	LRYYDFQJLHDIMV-STQMWFEESA-N	2	0	312.414	-1.109	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C	ZINC001423060627	926939084	/nfs/dbraw/zinc/93/90/84/926939084.db2.gz	UVOQZCXVYHLQTA-MNOVXSKESA-N	2	0	313.402	-1.027	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCOCC1	ZINC001423258702	927002521	/nfs/dbraw/zinc/00/25/21/927002521.db2.gz	MHERFIMXSYGEBG-GFCCVEGCSA-N	2	0	316.402	-2.136	20	0		DAADRP
CN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)CCC[NH+](C)C)C1=O	ZINC001423262095	927007280	/nfs/dbraw/zinc/00/72/80/927007280.db2.gz	ZXHJNGGQGOMDSD-NWDGAFQWSA-N	2	0	300.403	-1.374	20	0		DAADRP
CC[N@H+](C)CCC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O	ZINC001423282170	927012561	/nfs/dbraw/zinc/01/25/61/927012561.db2.gz	JTPFLOXHJOMFAB-NWDGAFQWSA-N	2	0	300.403	-1.327	20	0		DAADRP
CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001423293935	927017210	/nfs/dbraw/zinc/01/72/10/927017210.db2.gz	JRPJKQSBTXLKNU-CHWSQXEVSA-N	2	0	324.425	-1.230	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CC2)C1	ZINC001423301971	927021654	/nfs/dbraw/zinc/02/16/54/927021654.db2.gz	UOKRHVVXEOWACS-DGCLKSJQSA-N	2	0	312.414	-1.327	20	0		DAADRP
CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C)[NH+](C)C	ZINC001423447864	927054763	/nfs/dbraw/zinc/05/47/63/927054763.db2.gz	TYYVDIDWFGMXQL-VXGBXAGGSA-N	2	0	302.419	-1.176	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001423445918	927055580	/nfs/dbraw/zinc/05/55/80/927055580.db2.gz	QAMXRGDBWCFVGO-GRYCIOLGSA-N	2	0	300.403	-1.519	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1	ZINC001423454919	927057758	/nfs/dbraw/zinc/05/77/58/927057758.db2.gz	NNPLFZCEVKZMIF-LBPRGKRZSA-N	2	0	314.430	-1.175	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)C12CCC[NH+]1CCC2	ZINC001423455771	927058425	/nfs/dbraw/zinc/05/84/25/927058425.db2.gz	CMBRKJGBIBHEBT-QWHCGFSZSA-N	2	0	324.425	-1.088	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2	ZINC001423477058	927068856	/nfs/dbraw/zinc/06/88/56/927068856.db2.gz	HVORUWCLSGWQLH-GFCCVEGCSA-N	2	0	312.414	-1.421	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001423478872	927070257	/nfs/dbraw/zinc/07/02/57/927070257.db2.gz	LERRGNKZFMTDDS-QWHCGFSZSA-N	2	0	324.425	-1.278	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001423487765	927072565	/nfs/dbraw/zinc/07/25/65/927072565.db2.gz	UZNDJFHIVJWUSR-NEPJUHHUSA-N	2	0	300.403	-1.565	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001423487771	927073871	/nfs/dbraw/zinc/07/38/71/927073871.db2.gz	UZNDJFHIVJWUSR-VXGBXAGGSA-N	2	0	300.403	-1.565	20	0		DAADRP
CNC(=O)[C@@H](C)N(C)C[C@@H](O)CN(C)C(=O)Cn1ccnc1	ZINC001423542450	927091952	/nfs/dbraw/zinc/09/19/52/927091952.db2.gz	KAQRNMYAJOUUSJ-VXGBXAGGSA-N	2	0	311.386	-1.231	20	0		DAADRP
CNC(=O)CN(C)C[C@H](O)CN(C)C(=O)Cn1ccnc1C	ZINC001423547230	927092642	/nfs/dbraw/zinc/09/26/42/927092642.db2.gz	LDDSQQMIWHXZHB-LBPRGKRZSA-N	2	0	311.386	-1.311	20	0		DAADRP
CC[C@@H]([NH2+]CCN(CCO)C(=O)C12CC[NH+](CC1)C2)C(N)=O	ZINC001424056120	927192160	/nfs/dbraw/zinc/19/21/60/927192160.db2.gz	WSJIYBVZTKLUCZ-GFCCVEGCSA-N	2	0	312.414	-1.243	20	0		DAADRP
CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1	ZINC001424244826	927212904	/nfs/dbraw/zinc/21/29/04/927212904.db2.gz	VELAQTGKWMTCNS-QWHCGFSZSA-N	2	0	312.414	-1.109	20	0		DAADRP
C[C@H]([NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(N)=O	ZINC001424541375	927242169	/nfs/dbraw/zinc/24/21/69/927242169.db2.gz	ATLSLJVHJBKILI-RYUDHWBXSA-N	2	0	312.414	-1.103	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NC1CC(C[NH2+]CC(N)=O)C1	ZINC001424738909	927255225	/nfs/dbraw/zinc/25/52/25/927255225.db2.gz	BYMJNZYBTULZCJ-PNESKVBLSA-N	2	0	312.414	-1.076	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1	ZINC001424733206	927256476	/nfs/dbraw/zinc/25/64/76/927256476.db2.gz	WRPIBCHYIOFFDV-UHFFFAOYSA-N	2	0	313.402	-1.122	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[NH+](C)C1	ZINC001425411486	927353399	/nfs/dbraw/zinc/35/33/99/927353399.db2.gz	MWLGLTKISSIKJZ-CHWSQXEVSA-N	2	0	314.430	-1.128	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCN1CCNC1=O	ZINC001425711610	927406783	/nfs/dbraw/zinc/40/67/83/927406783.db2.gz	JGXDJWJHWWPQMO-NEPJUHHUSA-N	2	0	313.402	-1.828	20	0		DAADRP
O=C(NC[C@H](CO)[NH2+][C@H]1CCNC1=O)C12CCC[NH+](CCC1)C2	ZINC001425764173	927433070	/nfs/dbraw/zinc/43/30/70/927433070.db2.gz	BIKATFUBJDUFGV-OLZOCXBDSA-N	2	0	324.425	-1.182	20	0		DAADRP
CC[C@@H]([NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1)C(N)=O	ZINC001425809429	927457207	/nfs/dbraw/zinc/45/72/07/927457207.db2.gz	QURJATIIVSSWBF-NWDGAFQWSA-N	2	0	300.403	-1.341	20	0		DAADRP
CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)CC1CC[NH+](C)CC1	ZINC001425822712	927462387	/nfs/dbraw/zinc/46/23/87/927462387.db2.gz	PUVOMLYXKGPVIU-ZDUSSCGKSA-N	2	0	314.430	-1.127	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)C[NH+]1CCC(C)CC1	ZINC001425819475	927462790	/nfs/dbraw/zinc/46/27/90/927462790.db2.gz	HVUIOIDQGBSNCJ-STQMWFEESA-N	2	0	314.430	-1.081	20	0		DAADRP
O=C(CCC[NH+]1CCCC1)NC[C@H](CO)[NH2+][C@H]1CCNC1=O	ZINC001425840330	927471456	/nfs/dbraw/zinc/47/14/56/927471456.db2.gz	LSGBTLSOKNCLJG-OLZOCXBDSA-N	2	0	312.414	-1.182	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)CCC[NH+](C)C	ZINC001426020776	927506832	/nfs/dbraw/zinc/50/68/32/927506832.db2.gz	DEJNUYUCZASOEK-QWHCGFSZSA-N	2	0	314.430	-1.032	20	0		DAADRP
CCN1CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C)C1=O	ZINC001426025445	927507826	/nfs/dbraw/zinc/50/78/26/927507826.db2.gz	JKZYHFNLXUFCGT-CHWSQXEVSA-N	2	0	314.430	-1.032	20	0		DAADRP
CC[N@H+](C)CCC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O	ZINC001426026780	927508448	/nfs/dbraw/zinc/50/84/48/927508448.db2.gz	BYBOXGNZTVGOBV-OLZOCXBDSA-N	2	0	314.430	-1.032	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)COC1CC[NH+](C)CC1	ZINC001426029474	927511963	/nfs/dbraw/zinc/51/19/63/927511963.db2.gz	FXQXNZIQJWYFIJ-NSHDSACASA-N	2	0	316.402	-2.009	20	0		DAADRP
CN(C[C@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001426032663	927512304	/nfs/dbraw/zinc/51/23/04/927512304.db2.gz	RWHRYQSWWJLYDY-CHWSQXEVSA-N	2	0	324.425	-1.230	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)C[NH+]2CCCC2)C1	ZINC001427835191	927686932	/nfs/dbraw/zinc/68/69/32/927686932.db2.gz	YOGFRPGSMDMIBV-QWHCGFSZSA-N	2	0	312.414	-1.373	20	0		DAADRP
CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O	ZINC001428812508	927812165	/nfs/dbraw/zinc/81/21/65/927812165.db2.gz	DLABUYFKOVLGTF-CHWSQXEVSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1	ZINC001428919223	927826985	/nfs/dbraw/zinc/82/69/85/927826985.db2.gz	PREJWLCUGQXRTJ-OLZOCXBDSA-N	2	0	312.414	-1.278	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O	ZINC001428939845	927830109	/nfs/dbraw/zinc/83/01/09/927830109.db2.gz	KROXRYZPZFKCMO-UPJWGTAASA-N	2	0	312.414	-1.280	20	0		DAADRP
C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)CC[NH+](C)C)CC[N@@H+]1C	ZINC001431553325	928060746	/nfs/dbraw/zinc/06/07/46/928060746.db2.gz	WDVARRTXXBSPLY-FRRDWIJNSA-N	2	0	314.430	-1.128	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)C[NH+]1CCCC1	ZINC001433258977	928198322	/nfs/dbraw/zinc/19/83/22/928198322.db2.gz	FJWVETPYORDEDV-OLZOCXBDSA-N	2	0	312.414	-1.230	20	0		DAADRP
COCCN(C)C[C@H](O)C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1	ZINC001434482618	928357397	/nfs/dbraw/zinc/35/73/97/928357397.db2.gz	PYBBGGJMHLTKSU-DCAQKATOSA-N	2	0	302.375	-2.556	20	0		DAADRP
CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(N)=O	ZINC001436426431	928398870	/nfs/dbraw/zinc/39/88/70/928398870.db2.gz	VMXUISRRSJPFFX-VXGBXAGGSA-N	2	0	300.403	-1.124	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1	ZINC001437308658	928444012	/nfs/dbraw/zinc/44/40/12/928444012.db2.gz	GUNPGETZXPVORO-WDEREUQCSA-N	2	0	311.386	-1.286	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001437422412	928448412	/nfs/dbraw/zinc/44/84/12/928448412.db2.gz	NHFMUCJZSWMFJW-MNOVXSKESA-N	2	0	313.402	-1.122	20	0		DAADRP
C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1	ZINC001437745776	928476128	/nfs/dbraw/zinc/47/61/28/928476128.db2.gz	UXSSEPAIIFQAPC-STQMWFEESA-N	2	0	312.414	-1.122	20	0		DAADRP
CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001438989954	928561489	/nfs/dbraw/zinc/56/14/89/928561489.db2.gz	JLCYYVBYHWNLDR-STQMWFEESA-N	2	0	312.414	-1.517	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1	ZINC001439009386	928572689	/nfs/dbraw/zinc/57/26/89/928572689.db2.gz	BJMGSLIYYDEITK-NSHDSACASA-N	2	0	300.403	-1.327	20	0		DAADRP
CN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001439046992	928592220	/nfs/dbraw/zinc/59/22/20/928592220.db2.gz	LJLRRIVBGNAMRY-RYUDHWBXSA-N	2	0	310.398	-1.620	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC2CC2)C1	ZINC001439050580	928594364	/nfs/dbraw/zinc/59/43/64/928594364.db2.gz	ZSSCNEXVMFMJCD-STQMWFEESA-N	2	0	312.414	-1.469	20	0		DAADRP
CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1	ZINC001439180422	928605016	/nfs/dbraw/zinc/60/50/16/928605016.db2.gz	YXYUEEICTHGFTN-VXGBXAGGSA-N	2	0	300.403	-1.205	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1	ZINC001439284265	928609288	/nfs/dbraw/zinc/60/92/88/928609288.db2.gz	YXYUEEICTHGFTN-RYUDHWBXSA-N	2	0	300.403	-1.205	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1	ZINC001439605518	928634217	/nfs/dbraw/zinc/63/42/17/928634217.db2.gz	SCTPWKJIZZAIAX-LLVKDONJSA-N	2	0	323.397	-1.239	20	0		DAADRP
C[NH+](C)CC1(C(=O)NCC2([NH2+]CC(=O)NC(N)=O)CC2)CC1	ZINC001439642101	928636441	/nfs/dbraw/zinc/63/64/41/928636441.db2.gz	XWVIEDCTOWCOQA-UHFFFAOYSA-N	2	0	311.386	-1.239	20	0		DAADRP
C[C@H]1CC[N@H+](CC(=O)N(CCO)CC[NH2+][C@H]2CCNC2=O)C1	ZINC001440207003	928706800	/nfs/dbraw/zinc/70/68/00/928706800.db2.gz	PTYCMVGJKSMIRH-STQMWFEESA-N	2	0	312.414	-1.373	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001441361423	928785466	/nfs/dbraw/zinc/78/54/66/928785466.db2.gz	OPYXYEDQQPTYMG-JTQLQIEISA-N	2	0	309.370	-1.532	20	0		DAADRP
C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1)C1CCC1	ZINC001441381695	928787282	/nfs/dbraw/zinc/78/72/82/928787282.db2.gz	CRESBQRBXXERGT-MGCOHNPYSA-N	2	0	311.386	-1.098	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1	ZINC001441437797	928789521	/nfs/dbraw/zinc/78/95/21/928789521.db2.gz	JWAGQIXMNZIEKW-XYPYZODXSA-N	2	0	311.386	-1.225	20	0		DAADRP
C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1)C(=O)NC(N)=O	ZINC001441533456	928794686	/nfs/dbraw/zinc/79/46/86/928794686.db2.gz	MGUWJFNIALJXSE-GARJFASQSA-N	2	0	311.386	-1.098	20	0		DAADRP
C[C@@H](CN(C)C(=O)c1ccn(CC[NH+](C)C)n1)[NH2+]CC(N)=O	ZINC001441508203	928794958	/nfs/dbraw/zinc/79/49/58/928794958.db2.gz	GFZCKVZGLRLVEV-NSHDSACASA-N	2	0	310.402	-1.020	20	0		DAADRP
C[C@@H]([NH2+][C@@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O	ZINC001441709831	928831616	/nfs/dbraw/zinc/83/16/16/928831616.db2.gz	HGPHPBYOWHXASH-VXGBXAGGSA-N	2	0	312.414	-1.197	20	0		DAADRP
CN1CC[C@H]([NH2+][C@H](CO)CNC(=O)C2([NH+](C)C)CCC2)C1=O	ZINC001441709931	928832451	/nfs/dbraw/zinc/83/24/51/928832451.db2.gz	LSSSRORFVMJLPJ-RYUDHWBXSA-N	2	0	312.414	-1.232	20	0		DAADRP
C[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)CC1	ZINC001441745348	928850160	/nfs/dbraw/zinc/85/01/60/928850160.db2.gz	NFYPLMWZIIDYKW-ZDUSSCGKSA-N	2	0	310.402	-1.313	20	0		DAADRP
C[NH+](C)CC1(C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCC2)CC1	ZINC001441741939	928850320	/nfs/dbraw/zinc/85/03/20/928850320.db2.gz	NXSNHHXHKCJGGJ-GFCCVEGCSA-N	2	0	312.414	-1.373	20	0		DAADRP
C[C@H]([NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C	ZINC001441748909	928851265	/nfs/dbraw/zinc/85/12/65/928851265.db2.gz	RZSYAEZCFPOIAC-AAEUAGOBSA-N	2	0	314.430	-1.128	20	0		DAADRP
CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2	ZINC001441796433	928865286	/nfs/dbraw/zinc/86/52/86/928865286.db2.gz	VUDDOXJFGUCNJS-LBPRGKRZSA-N	2	0	312.414	-1.373	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)CCC[NH+](C)C	ZINC001441940295	928882737	/nfs/dbraw/zinc/88/27/37/928882737.db2.gz	LYLCQJMGUVPYOW-JTQLQIEISA-N	2	0	301.391	-1.122	20	0		DAADRP
CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)CC[N@@H+]1C	ZINC001441971482	928895363	/nfs/dbraw/zinc/89/53/63/928895363.db2.gz	IMOXWZLNUZHQMD-SDDRHHMPSA-N	2	0	300.403	-1.389	20	0		DAADRP
CN(C[C@@H](O)C[NH2+][C@H]1CCCN(C)C1=O)C(=O)CC[NH+](C)C	ZINC001442003336	928905644	/nfs/dbraw/zinc/90/56/44/928905644.db2.gz	WOGHJJGSLMHFHH-STQMWFEESA-N	2	0	314.430	-1.032	20	0		DAADRP
CN(C[C@@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001442025867	928907912	/nfs/dbraw/zinc/90/79/12/928907912.db2.gz	AZCTYZOVAULXQW-AAEUAGOBSA-N	2	0	312.414	-1.374	20	0		DAADRP
CCC[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O	ZINC001442026538	928909898	/nfs/dbraw/zinc/90/98/98/928909898.db2.gz	UYBPDQYODFTNQF-OLZOCXBDSA-N	2	0	314.430	-1.032	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001442147330	928933033	/nfs/dbraw/zinc/93/30/33/928933033.db2.gz	FZOZMPWIYGFXTH-LLVKDONJSA-N	2	0	323.397	-1.285	20	0		DAADRP
C[C@H]([NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O	ZINC001443097109	928990859	/nfs/dbraw/zinc/99/08/59/928990859.db2.gz	HBQNWVCOPVAFBS-QWRGUYRKSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)C[NH+]1CCCC1	ZINC001444200743	929084620	/nfs/dbraw/zinc/08/46/20/929084620.db2.gz	WMXUIFFOTGKLIK-LBPRGKRZSA-N	2	0	300.403	-1.373	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001444310718	929110124	/nfs/dbraw/zinc/11/01/24/929110124.db2.gz	PFQSMAWXRWCMNB-CHWSQXEVSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001444310723	929110531	/nfs/dbraw/zinc/11/05/31/929110531.db2.gz	PFQSMAWXRWCMNB-QWHCGFSZSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)NC(N)=O	ZINC001444391562	929119623	/nfs/dbraw/zinc/11/96/23/929119623.db2.gz	QYQVKIIJMKSKEV-WDEREUQCSA-N	2	0	313.402	-1.135	20	0		DAADRP
Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001445179098	929175891	/nfs/dbraw/zinc/17/58/91/929175891.db2.gz	JMGVXOXUTQGOHX-UONOGXRCSA-N	2	0	322.413	-1.276	20	0		DAADRP
Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC001445216632	929190141	/nfs/dbraw/zinc/19/01/41/929190141.db2.gz	VEZBZUTYGHOJMP-OLZOCXBDSA-N	2	0	310.402	-1.134	20	0		DAADRP
CC(C)[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1)[NH+](C)C	ZINC001445222242	929191860	/nfs/dbraw/zinc/19/18/60/929191860.db2.gz	FXFVHRRBTSGGMI-GXTWGEPZSA-N	2	0	314.430	-1.128	20	0		DAADRP
Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1	ZINC001445221187	929191875	/nfs/dbraw/zinc/19/18/75/929191875.db2.gz	BHJBDBJRMRTKCD-ZDUSSCGKSA-N	2	0	310.402	-1.276	20	0		DAADRP
C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1	ZINC001445227523	929194329	/nfs/dbraw/zinc/19/43/29/929194329.db2.gz	UITRPGOIMMJPEP-NWDGAFQWSA-N	2	0	321.443	-1.561	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1	ZINC001445264883	929206925	/nfs/dbraw/zinc/20/69/25/929206925.db2.gz	GHQVEZGHDLIYMK-NWDGAFQWSA-N	2	0	314.430	-1.081	20	0		DAADRP
CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001445276445	929209457	/nfs/dbraw/zinc/20/94/57/929209457.db2.gz	MJADCNAVZCXCQA-CHWSQXEVSA-N	2	0	314.430	-1.127	20	0		DAADRP
C[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC001445517952	929231517	/nfs/dbraw/zinc/23/15/17/929231517.db2.gz	MXXWYZOJSBFTGN-CHWSQXEVSA-N	2	0	324.425	-1.278	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001447056655	929366581	/nfs/dbraw/zinc/36/65/81/929366581.db2.gz	BXLGRICHUMTOEG-STQMWFEESA-N	2	0	314.430	-1.127	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1	ZINC001447294480	929380571	/nfs/dbraw/zinc/38/05/71/929380571.db2.gz	AHQNYOZIQPDPEH-STQMWFEESA-N	2	0	312.414	-1.109	20	0		DAADRP
CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1	ZINC001447294476	929381981	/nfs/dbraw/zinc/38/19/81/929381981.db2.gz	AHQNYOZIQPDPEH-OLZOCXBDSA-N	2	0	312.414	-1.109	20	0		DAADRP
C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@H](C)C(=O)NC(N)=O	ZINC001448726919	929466997	/nfs/dbraw/zinc/46/69/97/929466997.db2.gz	ZKAYVNJNFJLBOO-NXEZZACHSA-N	2	0	301.391	-1.042	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001448792735	929472299	/nfs/dbraw/zinc/47/22/99/929472299.db2.gz	VRNWIIOBBPAIOM-WDEREUQCSA-N	2	0	313.402	-1.170	20	0		DAADRP
CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001448833573	929488345	/nfs/dbraw/zinc/48/83/45/929488345.db2.gz	CJYXKNHHMBIHAC-QWHCGFSZSA-N	2	0	312.414	-1.469	20	0		DAADRP
C[C@H](O)C[NH2+][C@H](CO)CNC(=O)C(C)(C)C[NH+]1CCOCC1	ZINC001448883230	929506310	/nfs/dbraw/zinc/50/63/10/929506310.db2.gz	QHAWBUZUXNGILF-STQMWFEESA-N	2	0	317.430	-1.208	20	0		DAADRP
C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)C[NH+]1CCOCC1	ZINC001448883228	929506885	/nfs/dbraw/zinc/50/68/85/929506885.db2.gz	QHAWBUZUXNGILF-QWHCGFSZSA-N	2	0	317.430	-1.208	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C	ZINC001448894131	929508308	/nfs/dbraw/zinc/50/83/08/929508308.db2.gz	WNLBUWQWWWUTBB-SECBINFHSA-N	2	0	303.363	-2.540	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C	ZINC001448894136	929508853	/nfs/dbraw/zinc/50/88/53/929508853.db2.gz	WNLBUWQWWWUTBB-VIFPVBQESA-N	2	0	303.363	-2.540	20	0		DAADRP
O=C(NC[C@@H](CO)[NH2+]CCn1cncn1)C12CC[NH+](CC1)C2	ZINC001448944026	929523448	/nfs/dbraw/zinc/52/34/48/929523448.db2.gz	HSPPJYZMJZWZCV-LBPRGKRZSA-N	2	0	308.386	-1.559	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(=O)NC(N)=O	ZINC001448953158	929525996	/nfs/dbraw/zinc/52/59/96/929525996.db2.gz	VFSDOTAGKHEXCW-UWVGGRQHSA-N	2	0	317.390	-2.023	20	0		DAADRP
COC[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C	ZINC001449147178	929554415	/nfs/dbraw/zinc/55/44/15/929554415.db2.gz	FLKMIGNSOMEYLG-RWMBFGLXSA-N	2	0	303.403	-1.503	20	0		DAADRP
CCC[N@H+](C)CC(=O)N1CC(NC(=O)[C@H]2CN(C)CCO2)C1	ZINC001450315322	929620852	/nfs/dbraw/zinc/62/08/52/929620852.db2.gz	ZXHKPBRVLPRBIA-CYBMUJFWSA-N	2	0	312.414	-1.014	20	0		DAADRP
[NH3+]CCN1CCC[C@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1=O	ZINC001521540913	929662747	/nfs/dbraw/zinc/66/27/47/929662747.db2.gz	NJOFTFUPMGAXOR-KBPBESRZSA-N	2	0	323.441	-1.310	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O	ZINC001521504475	929663190	/nfs/dbraw/zinc/66/31/90/929663190.db2.gz	VAMNSDODQCNPNO-CHWSQXEVSA-N	2	0	311.430	-1.454	20	0		DAADRP
[NH3+]CCN1CCC[C@@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1=O	ZINC001521540916	929663394	/nfs/dbraw/zinc/66/33/94/929663394.db2.gz	NJOFTFUPMGAXOR-ZIAGYGMSSA-N	2	0	323.441	-1.310	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CC1=O	ZINC001548567755	930031492	/nfs/dbraw/zinc/03/14/92/930031492.db2.gz	ATEDISJOSMQLQN-NEPJUHHUSA-N	2	0	310.398	-1.356	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)N2NC(=O)C[C@]23CC[NH2+]C3)CC1=O	ZINC001548578758	930031565	/nfs/dbraw/zinc/03/15/65/930031565.db2.gz	MDALBMITDYEIOC-NHYWBVRUSA-N	2	0	323.397	-1.608	20	0		DAADRP
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)CC1=O	ZINC001548572864	930031775	/nfs/dbraw/zinc/03/17/75/930031775.db2.gz	RBNPFFCGXWVFPM-RQJABVFESA-N	2	0	324.425	-1.232	20	0		DAADRP
O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC001549046583	930046922	/nfs/dbraw/zinc/04/69/22/930046922.db2.gz	WFTDWUWCYLEWNL-KGLIPLIRSA-N	2	0	323.441	-1.249	20	0		DAADRP
O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC001549046021	930046970	/nfs/dbraw/zinc/04/69/70/930046970.db2.gz	ODSCXHDIAGNNHX-CHWSQXEVSA-N	2	0	309.414	-1.639	20	0		DAADRP
O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC001549046023	930047020	/nfs/dbraw/zinc/04/70/20/930047020.db2.gz	ODSCXHDIAGNNHX-QWHCGFSZSA-N	2	0	309.414	-1.639	20	0		DAADRP
O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC001549046585	930050307	/nfs/dbraw/zinc/05/03/07/930050307.db2.gz	WFTDWUWCYLEWNL-ZIAGYGMSSA-N	2	0	323.441	-1.249	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC3CC2(C[NH3+])C3)nn1	ZINC001549298432	930051836	/nfs/dbraw/zinc/05/18/36/930051836.db2.gz	NGAKEDTUWAWXIA-MLSPROAXSA-N	2	0	320.397	-1.070	20	0		DAADRP
O=C(N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1(O)C[NH2+]C1	ZINC001549293535	930052552	/nfs/dbraw/zinc/05/25/52/930052552.db2.gz	WSIUWZGXJIIPAQ-RYUDHWBXSA-N	2	0	323.397	-1.933	20	0		DAADRP
O=C(N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1(O)C[NH2+]C1	ZINC001549293533	930052767	/nfs/dbraw/zinc/05/27/67/930052767.db2.gz	WSIUWZGXJIIPAQ-NEPJUHHUSA-N	2	0	323.397	-1.933	20	0		DAADRP
O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)[C@H]1C[NH2+]CCO1	ZINC001549728028	930059181	/nfs/dbraw/zinc/05/91/81/930059181.db2.gz	GIVMHMZOYGNNOR-OUCADQQQSA-N	2	0	310.398	-1.262	20	0		DAADRP
Cn1cnc([C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)C[C@@H]2[NH3+])c1	ZINC001549733572	930059389	/nfs/dbraw/zinc/05/93/89/930059389.db2.gz	AXWFQHHTYQGSBI-OXIQGZBJSA-N	2	0	305.382	-1.091	20	0		DAADRP
COC[C@]1(C(=O)N2C[C@@H]([NH3+])[C@@H](c3cnn(C)c3)C2)C[NH2+]CCO1	ZINC001550066602	930060160	/nfs/dbraw/zinc/06/01/60/930060160.db2.gz	HYVJHVBYFRWKQC-NFAWXSAZSA-N	2	0	323.397	-1.322	20	0		DAADRP
O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@@]12C[NH2+]C[C@H]1COC2	ZINC001550086163	930060266	/nfs/dbraw/zinc/06/02/66/930060266.db2.gz	CGHSRUBXQZQGIR-ZKYQVNSYSA-N	2	0	306.370	-1.335	20	0		DAADRP
[NH3+]Cc1cn([C@H]2CCCN(C(=O)CN3CC[NH2+]CC3)C2)nn1	ZINC001550063243	930060752	/nfs/dbraw/zinc/06/07/52/930060752.db2.gz	LLXOOBKTUNJFLM-ZDUSSCGKSA-N	2	0	307.402	-1.195	20	0		DAADRP
[NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@@]34C[NH2+]C[C@H]3COC4)C2)nn1	ZINC001550096604	930062153	/nfs/dbraw/zinc/06/21/53/930062153.db2.gz	NDWBYGZNHZNQPS-ZKYQVNSYSA-N	2	0	306.370	-1.254	20	0		DAADRP
C[NH+]1CCN([C@@H]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1	ZINC001550115548	930062842	/nfs/dbraw/zinc/06/28/42/930062842.db2.gz	BETCWOFXGDTPLE-KGLIPLIRSA-N	2	0	323.441	-1.297	20	0		DAADRP
CNC(=O)[C@]12C[N@H+](CC(=O)N3CC[NH2+]CC3)C[C@@H]1COCC2	ZINC001551410448	930065484	/nfs/dbraw/zinc/06/54/84/930065484.db2.gz	QFDNNLBDFOADCZ-IUODEOHRSA-N	2	0	310.398	-1.497	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N(C)[C@@H]2CC[NH2+]C2)nn1	ZINC001552160868	930069199	/nfs/dbraw/zinc/06/91/99/930069199.db2.gz	LCGCXHGVMSUKSR-NQBHXWOUSA-N	2	0	308.386	-1.200	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@H](C)[C@H]([NH3+])C2)nn1	ZINC001552089632	930069677	/nfs/dbraw/zinc/06/96/77/930069677.db2.gz	HTSFOEOOIOWGHK-SBFPOUOMSA-N	2	0	308.386	-1.215	20	0		DAADRP
CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N(C)C2CC([NH3+])C2)nn1	ZINC001552163689	930070238	/nfs/dbraw/zinc/07/02/38/930070238.db2.gz	IXQAEMILBYNHDE-GVAFYICXSA-N	2	0	308.386	-1.072	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[NH2+]C[C@H]2C)nn1	ZINC001552162092	930070266	/nfs/dbraw/zinc/07/02/66/930070266.db2.gz	VOTXISPQXKBMFY-NTZNESFSSA-N	2	0	308.386	-1.200	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)NC[C@@H]2CCC[NH2+]2)nn1	ZINC001552163323	930070357	/nfs/dbraw/zinc/07/03/57/930070357.db2.gz	NHTHRQMQVDSKQU-DMDPSCGWSA-N	2	0	308.386	-1.152	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)NC[C@@H]2CCC[NH2+]2)nn1	ZINC001552163324	930070396	/nfs/dbraw/zinc/07/03/96/930070396.db2.gz	NHTHRQMQVDSKQU-GMXVVIOVSA-N	2	0	308.386	-1.152	20	0		DAADRP
CN(CCN1CC[NH2+]CC1)C(=O)c1cn([C@H]2CC[NH2+]C2)nn1	ZINC001552162974	930070689	/nfs/dbraw/zinc/07/06/89/930070689.db2.gz	HZOXOPCAQPDRNB-LBPRGKRZSA-N	2	0	307.402	-1.210	20	0		DAADRP
CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCC[NH2+]CC2)nn1	ZINC001552163237	930070747	/nfs/dbraw/zinc/07/07/47/930070747.db2.gz	WKJOLCCULNOXQZ-AAEUAGOBSA-N	2	0	308.386	-1.198	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)NC[C@H]2CCC[NH2+]2)nn1	ZINC001552163325	930070890	/nfs/dbraw/zinc/07/08/90/930070890.db2.gz	NHTHRQMQVDSKQU-NQBHXWOUSA-N	2	0	308.386	-1.152	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[NH2+]C[C@@H]2C)nn1	ZINC001552162086	930071494	/nfs/dbraw/zinc/07/14/94/930071494.db2.gz	VOTXISPQXKBMFY-DMDPSCGWSA-N	2	0	308.386	-1.200	20	0		DAADRP
CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N[C@@H]2CC[NH2+][C@@H]2C)nn1	ZINC001552255849	930071766	/nfs/dbraw/zinc/07/17/66/930071766.db2.gz	CJBLKURKBNEALF-PRULPYPASA-N	2	0	308.386	-1.154	20	0		DAADRP
Cc1c(C(=O)N2CCO[C@@H]3C[NH2+]C[C@H]32)nnn1[C@H]1CC[NH2+]C1	ZINC001552442277	930072496	/nfs/dbraw/zinc/07/24/96/930072496.db2.gz	PDAFLFXAYLGJBK-QJPTWQEYSA-N	2	0	306.370	-1.066	20	0		DAADRP
CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1	ZINC001552258516	930072513	/nfs/dbraw/zinc/07/25/13/930072513.db2.gz	TZUDQILQWBIUFV-CZXHOFHRSA-N	2	0	320.397	-1.057	20	0		DAADRP
[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2CCOC3)C1	ZINC001553352717	930074327	/nfs/dbraw/zinc/07/43/27/930074327.db2.gz	DNXYTRWXNYJWFO-XJKCOSOUSA-N	2	0	324.425	-1.074	20	0		DAADRP
O=C(N1CC[NH2+]CC1)N1CCN(CCN2CC[NH2+]CC2)CC1	ZINC000530224506	545718376	/nfs/dbraw/zinc/71/83/76/545718376.db2.gz	SHIBXCSQSQQMSU-UHFFFAOYSA-N	2	0	310.446	-1.466	20	0		DAADRP
CN(C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1C[NH2+]C[C@@H]1O	ZINC000419135591	545764735	/nfs/dbraw/zinc/76/47/35/545764735.db2.gz	LRJDNBMZFBVSRE-CYDGBPFRSA-N	2	0	312.414	-1.234	20	0		DAADRP
CC(C)Nc1nc(NCC2([NH+](C)C)CC2)nc(NCCO)[nH+]1	ZINC000419010551	545766084	/nfs/dbraw/zinc/76/60/84/545766084.db2.gz	QHTPFAFNVIYAPV-UHFFFAOYSA-N	2	0	309.418	-1.132	20	0		DAADRP
CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000419530025	545768087	/nfs/dbraw/zinc/76/80/87/545768087.db2.gz	YSWZIKJZRXHCBH-ZDUSSCGKSA-N	2	0	313.446	-1.146	20	0		DAADRP
CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(CC[NH3+])CCO	ZINC000419579901	545769285	/nfs/dbraw/zinc/76/92/85/545769285.db2.gz	GYKOYXRSPKJZSH-GFCCVEGCSA-N	2	0	300.403	-1.243	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1	ZINC000423744867	545774894	/nfs/dbraw/zinc/77/48/94/545774894.db2.gz	OSRIVCZMAAQUCO-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[C@@H]1CN(C)C[C@H](C(=O)NC[C@](C)(O)CN2CCOCC2)O1	ZINC000527549665	545776074	/nfs/dbraw/zinc/77/60/74/545776074.db2.gz	MBEAXLUHUJAFCF-NFAWXSAZSA-N	2	0	315.414	-1.095	20	0		DAADRP
CN1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)[C@H](C[NH3+])C1	ZINC000643577007	372769073	/nfs/dbraw/zinc/76/90/73/372769073.db2.gz	YKLJDMHSRADWCP-ZIAGYGMSSA-N	2	0	323.441	-1.216	20	0		DAADRP
CN1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)[C@@H](C[NH3+])C1	ZINC000643577004	372769178	/nfs/dbraw/zinc/76/91/78/372769178.db2.gz	YKLJDMHSRADWCP-KBPBESRZSA-N	2	0	323.441	-1.216	20	0		DAADRP
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O	ZINC000642718571	372787432	/nfs/dbraw/zinc/78/74/32/372787432.db2.gz	ZWKRJOBCNVPWIS-IXOXFDKPSA-N	2	0	310.398	-1.624	20	0		DAADRP
C[NH2+]C[C@H](O)CNC[C@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000565480609	372796552	/nfs/dbraw/zinc/79/65/52/372796552.db2.gz	GMOQONSJWCUIKD-QWRGUYRKSA-N	2	0	307.350	-1.187	20	0		DAADRP
CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)[C@H](C[NH3+])C1	ZINC000642785676	372808647	/nfs/dbraw/zinc/80/86/47/372808647.db2.gz	CRMXVKJDJANNPW-UONOGXRCSA-N	2	0	323.441	-1.312	20	0		DAADRP
C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)[C@@H](C)C1	ZINC000557241991	372810901	/nfs/dbraw/zinc/81/09/01/372810901.db2.gz	TVYGPABVITXYCT-MELADBBJSA-N	2	0	313.446	-1.014	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1	ZINC000642809420	372834104	/nfs/dbraw/zinc/83/41/04/372834104.db2.gz	QHQBQEBUSOLTBF-GFCCVEGCSA-N	2	0	300.403	-1.061	20	0		DAADRP
COCC[N@@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2CN(C)CCO2)C1	ZINC000632254868	372837607	/nfs/dbraw/zinc/83/76/07/372837607.db2.gz	BAONJNMLPPAICM-STQMWFEESA-N	2	0	321.443	-1.043	20	0		DAADRP
CN(CCC(N)=O)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000580046358	372922574	/nfs/dbraw/zinc/92/25/74/372922574.db2.gz	KHIRIXDHAJJLLJ-UHFFFAOYSA-N	2	0	315.418	-1.728	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)CN1CCOCC1=O	ZINC000580143246	372925970	/nfs/dbraw/zinc/92/59/70/372925970.db2.gz	UMHNVUZTCNUHSX-UHFFFAOYSA-N	2	0	300.403	-1.203	20	0		DAADRP
C[NH+](C)CCCS(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1	ZINC000601343416	372941819	/nfs/dbraw/zinc/94/18/19/372941819.db2.gz	NMMHPXBXFBYEIT-QWRGUYRKSA-N	2	0	304.416	-1.488	20	0		DAADRP
COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1	ZINC000592557236	372974072	/nfs/dbraw/zinc/97/40/72/372974072.db2.gz	XBSPETJZXWNSBB-MNOVXSKESA-N	2	0	312.370	-1.782	20	0		DAADRP
[NH3+][C@@H]1C[C@@H]2CN(C(=O)CN3CCCC[C@@H]([NH3+])C3=O)CCN2C1=O	ZINC000594878117	372994080	/nfs/dbraw/zinc/99/40/80/372994080.db2.gz	NCSQZFQBUVHXEP-IJLUTSLNSA-N	2	0	323.397	-1.903	20	0		DAADRP
COC(=O)CC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)CC(=O)N(C)C	ZINC000595969133	373005958	/nfs/dbraw/zinc/00/59/58/373005958.db2.gz	BIBGMNXEIYUSFC-NSHDSACASA-N	2	0	316.402	-1.255	20	0		DAADRP
COC[C@]1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCCC[NH2+]1	ZINC000602528637	373062563	/nfs/dbraw/zinc/06/25/63/373062563.db2.gz	SEVFLMYRLAJAFU-JMSVASOKSA-N	2	0	310.398	-1.085	20	0		DAADRP
[NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CCN2C1=O	ZINC000602531994	373063934	/nfs/dbraw/zinc/06/39/34/373063934.db2.gz	YZADKSNDTOFVJF-LOWDOPEQSA-N	2	0	308.382	-1.380	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1	ZINC000627380729	373072273	/nfs/dbraw/zinc/07/22/73/373072273.db2.gz	XFSXTCWRQKFEEM-CYBMUJFWSA-N	2	0	312.414	-1.061	20	0		DAADRP
COCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1	ZINC000263254980	373144607	/nfs/dbraw/zinc/14/46/07/373144607.db2.gz	QKBUVBMFDGUJEJ-AAEUAGOBSA-N	2	0	300.403	-1.077	20	0		DAADRP
CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H](C)N1CC[NH+](C)CC1	ZINC000263252179	373144994	/nfs/dbraw/zinc/14/49/94/373144994.db2.gz	PJRLSNGTKOYHPH-OCCSQVGLSA-N	2	0	313.446	-1.162	20	0		DAADRP
O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000638479654	373222389	/nfs/dbraw/zinc/22/23/89/373222389.db2.gz	BWAUDPAPVZQXMR-UPJWGTAASA-N	2	0	307.398	-1.094	20	0		DAADRP
O[C@@H]1C[N@H+](Cc2ccccc2C[NH+]2C[C@H](O)[C@@H](O)C2)C[C@@H]1O	ZINC000278789408	373190789	/nfs/dbraw/zinc/19/07/89/373190789.db2.gz	OAKYOVSTIYZPRB-YHUYYLMFSA-N	2	0	308.378	-1.239	20	0		DAADRP
CCS(=O)(=O)NCC(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000535724100	373269378	/nfs/dbraw/zinc/26/93/78/373269378.db2.gz	AMJOUTVWROMCDY-UHFFFAOYSA-N	2	0	308.448	-1.123	20	0		DAADRP
COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1	ZINC000419678101	373320922	/nfs/dbraw/zinc/32/09/22/373320922.db2.gz	NQTAFOVNIYMCLT-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C	ZINC000419352001	373321205	/nfs/dbraw/zinc/32/12/05/373321205.db2.gz	IGRLPCFVIDQCAN-NWDGAFQWSA-N	2	0	300.403	-1.124	20	0		DAADRP
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])C1	ZINC000418926941	373321302	/nfs/dbraw/zinc/32/13/02/373321302.db2.gz	SDNPRSJANZCFBE-NWDGAFQWSA-N	2	0	300.403	-1.077	20	0		DAADRP
CC1CC[NH+](CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1	ZINC000419407555	373321325	/nfs/dbraw/zinc/32/13/25/373321325.db2.gz	KKIHALUWNRFUAA-ZDUSSCGKSA-N	2	0	312.414	-1.061	20	0		DAADRP
C[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)C(C)(C)C[NH+](C)C	ZINC000419537228	373321506	/nfs/dbraw/zinc/32/15/06/373321506.db2.gz	CNRIFUMEKCSCDQ-NSHDSACASA-N	2	0	302.419	-1.142	20	0		DAADRP
CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1	ZINC000419756687	373323284	/nfs/dbraw/zinc/32/32/84/373323284.db2.gz	BFYZWUHOLJEHNZ-GFCCVEGCSA-N	2	0	300.403	-1.061	20	0		DAADRP
CC[NH+](CC)CC(=O)N1CCN(C(=O)CNC(=O)C[NH3+])CC1	ZINC000262420933	373334155	/nfs/dbraw/zinc/33/41/55/373334155.db2.gz	QXYCMBXIZCBUGE-UHFFFAOYSA-N	2	0	313.402	-1.926	20	0		DAADRP
O=C(CN1CCNCC1=O)NC1CCC(N2CC[NH2+]CC2)CC1	ZINC000574988034	373341997	/nfs/dbraw/zinc/34/19/97/373341997.db2.gz	DMADLJQSGBEJBV-UHFFFAOYSA-N	2	0	323.441	-1.249	20	0		DAADRP
CC[N@@H+]1CCCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1	ZINC000629787576	373403682	/nfs/dbraw/zinc/40/36/82/373403682.db2.gz	GRXVRKVXJBMKCP-UHFFFAOYSA-N	2	0	300.403	-1.026	20	0		DAADRP
CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000629817198	373413359	/nfs/dbraw/zinc/41/33/59/373413359.db2.gz	ZXTKLBMTVDPAKU-MJBXVCDLSA-N	2	0	324.425	-1.280	20	0		DAADRP
COC[C@@]1(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CCC[NH2+]1	ZINC000631936428	373442775	/nfs/dbraw/zinc/44/27/75/373442775.db2.gz	BVYMNJSNVLMHFM-RYUDHWBXSA-N	2	0	307.416	-1.337	20	0		DAADRP
COC[C@]1(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CCC[NH2+]1	ZINC000631936427	373443083	/nfs/dbraw/zinc/44/30/83/373443083.db2.gz	BVYMNJSNVLMHFM-NWDGAFQWSA-N	2	0	307.416	-1.337	20	0		DAADRP
CC[N@H+](CCO)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000183967740	373445236	/nfs/dbraw/zinc/44/52/36/373445236.db2.gz	OVDXEJFGIIADHR-CYBMUJFWSA-N	2	0	314.430	-1.173	20	0		DAADRP
C[NH2+]CCCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000627062549	373448734	/nfs/dbraw/zinc/44/87/34/373448734.db2.gz	KKJKJQKHUBIZJF-UHFFFAOYSA-N	2	0	312.418	-1.052	20	0		DAADRP
CC(C)(O)C[NH+]1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1	ZINC000630343645	373500393	/nfs/dbraw/zinc/50/03/93/373500393.db2.gz	HYYGBDSMLQYHCS-UHFFFAOYSA-N	2	0	313.446	-1.010	20	0		DAADRP
C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@H](C)[NH+](C)C)[NH+](C)C	ZINC000615214795	373509041	/nfs/dbraw/zinc/50/90/41/373509041.db2.gz	GGASERWPACUWGT-SRVKXCTJSA-N	2	0	302.419	-1.178	20	0		DAADRP
COC[C@@]1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC[NH2+]C1	ZINC000564796401	373514605	/nfs/dbraw/zinc/51/46/05/373514605.db2.gz	GAXHIKDIWXSVEG-IUODEOHRSA-N	2	0	312.414	-1.074	20	0		DAADRP
CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1	ZINC000565727017	373520475	/nfs/dbraw/zinc/52/04/75/373520475.db2.gz	AFTPOZBDRIIXEF-UTUOFQBUSA-N	2	0	310.402	-2.157	20	0		DAADRP
CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1	ZINC000565727011	373520998	/nfs/dbraw/zinc/52/09/98/373520998.db2.gz	AFTPOZBDRIIXEF-IJLUTSLNSA-N	2	0	310.402	-2.157	20	0		DAADRP
CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1	ZINC000565727015	373522278	/nfs/dbraw/zinc/52/22/78/373522278.db2.gz	AFTPOZBDRIIXEF-QJPTWQEYSA-N	2	0	310.402	-2.157	20	0		DAADRP
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)C[C@@H](O)C[NH3+])C1	ZINC000566302759	373528468	/nfs/dbraw/zinc/52/84/68/373528468.db2.gz	UIHJXVKXJGRWOO-KBPBESRZSA-N	3	0	316.446	-1.289	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCNC(=O)C1	ZINC000566842052	373530620	/nfs/dbraw/zinc/53/06/20/373530620.db2.gz	LYRHACXNEQBVDH-UHFFFAOYSA-N	2	0	313.402	-2.103	20	0		DAADRP
C[C@H](C[NH3+])CNC(=O)C[C@]1(C(=O)NC[C@H](C)C[NH3+])CC[NH2+]C1	ZINC000578750629	373585334	/nfs/dbraw/zinc/58/53/34/373585334.db2.gz	UQTFIMNUCFHLIO-LALPHHSUSA-N	3	0	313.446	-1.222	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1	ZINC000578788030	373587445	/nfs/dbraw/zinc/58/74/45/373587445.db2.gz	ILNOSQQRKMXDHV-NWDGAFQWSA-N	2	0	313.402	-1.482	20	0		DAADRP
CN(CC(=O)N1CC[NH2+]CC1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1	ZINC000567584320	373537270	/nfs/dbraw/zinc/53/72/70/373537270.db2.gz	LZRMWQJDIOXVGV-NSHDSACASA-N	2	0	311.386	-2.255	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2C[NH2+]CCCO2)CC1=O	ZINC000567982292	373539651	/nfs/dbraw/zinc/53/96/51/373539651.db2.gz	UKMVEHSCFGKVBR-CHWSQXEVSA-N	2	0	312.414	-1.109	20	0		DAADRP
CN1CC[NH2+]C[C@H]1CNC(=O)C1(n2cccn2)CC[NH2+]CC1	ZINC000572764772	373551312	/nfs/dbraw/zinc/55/13/12/373551312.db2.gz	LPXVQRVHQZPKDO-ZDUSSCGKSA-N	2	0	306.414	-1.018	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[NH2+]1	ZINC000573315987	373553134	/nfs/dbraw/zinc/55/31/34/373553134.db2.gz	SNZLIEUUNLZRJN-CYBMUJFWSA-N	3	0	313.446	-1.242	20	0		DAADRP
[NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1	ZINC000573724119	373555595	/nfs/dbraw/zinc/55/55/95/373555595.db2.gz	RDXNJVCSXVCAAC-CYBMUJFWSA-N	3	0	311.430	-1.405	20	0		DAADRP
COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H](CS(N)(=O)=O)C1	ZINC000573742589	373555793	/nfs/dbraw/zinc/55/57/93/373555793.db2.gz	ZBUPNYMVEHLLTF-OLZOCXBDSA-N	2	0	323.459	-1.074	20	0		DAADRP
CN(CC(=O)N1CC[NH2+]CC1)C(=O)C[C@@H]1CSCC[NH2+]1	ZINC000574751935	373561676	/nfs/dbraw/zinc/56/16/76/373561676.db2.gz	HAUIWQSFVNCTOG-LLVKDONJSA-N	2	0	300.428	-1.028	20	0		DAADRP
COCC[N@H+](C)C[C@@H](O)CN1CCC[C@@H]1CS(N)(=O)=O	ZINC000575812437	373566553	/nfs/dbraw/zinc/56/65/53/373566553.db2.gz	LXMDBYCRSPTYIO-VXGBXAGGSA-N	2	0	309.432	-1.322	20	0		DAADRP
COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1CCCN(CC(=O)OC)C1	ZINC000576753497	373570119	/nfs/dbraw/zinc/57/01/19/373570119.db2.gz	VUHXXIGHPHYGFI-MNOVXSKESA-N	2	0	315.370	-1.122	20	0		DAADRP
CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1	ZINC000627302629	373639270	/nfs/dbraw/zinc/63/92/70/373639270.db2.gz	TYCOVJLQHVJESK-ZDUSSCGKSA-N	2	0	312.414	-1.061	20	0		DAADRP
C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[NH2+]1	ZINC000627312775	373642916	/nfs/dbraw/zinc/64/29/16/373642916.db2.gz	IKGSIHSUSHYUMT-JHJVBQTASA-N	2	0	311.430	-1.395	20	0		DAADRP
C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C[NH2+]1	ZINC000627312776	373643437	/nfs/dbraw/zinc/64/34/37/373643437.db2.gz	IKGSIHSUSHYUMT-UPJWGTAASA-N	2	0	311.430	-1.395	20	0		DAADRP
C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1	ZINC000627308386	373643553	/nfs/dbraw/zinc/64/35/53/373643553.db2.gz	OJMBEENARAWTHN-OLZOCXBDSA-N	2	0	312.414	-1.061	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2	ZINC000627313254	373643863	/nfs/dbraw/zinc/64/38/63/373643863.db2.gz	ZXURNWBOBASUJO-CHWSQXEVSA-N	2	0	323.441	-1.251	20	0		DAADRP
[NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[N@@H+]3C[C@H](O)C[C@H]3C1)C2	ZINC000622031104	373653404	/nfs/dbraw/zinc/65/34/04/373653404.db2.gz	HNVSHZBNWDJRHL-BCUIYNNISA-N	2	0	322.409	-1.396	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000627349264	373655726	/nfs/dbraw/zinc/65/57/26/373655726.db2.gz	HZVGQJTXMAYYLL-YPMHNXCESA-N	2	0	312.414	-1.063	20	0		DAADRP
C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C[N@@H+]1C1CC1	ZINC000627349167	373656756	/nfs/dbraw/zinc/65/67/56/373656756.db2.gz	FGNKRGVBPFJLPP-UTUOFQBUSA-N	2	0	310.398	-1.168	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1	ZINC000627352903	373657035	/nfs/dbraw/zinc/65/70/35/373657035.db2.gz	LXYRDCJLLXFAMY-RYUDHWBXSA-N	2	0	300.403	-1.063	20	0		DAADRP
COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC000627361356	373671468	/nfs/dbraw/zinc/67/14/68/373671468.db2.gz	MKBMBLUZLKMYHX-GFCCVEGCSA-N	2	0	316.402	-1.825	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21	ZINC000627464025	373680011	/nfs/dbraw/zinc/68/00/11/373680011.db2.gz	PDKMLFPQNIZJHE-STQMWFEESA-N	2	0	312.414	-1.109	20	0		DAADRP
CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC000627472302	373682250	/nfs/dbraw/zinc/68/22/50/373682250.db2.gz	MURHVHYCNYBZNS-LBPRGKRZSA-N	2	0	300.403	-1.110	20	0		DAADRP
CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1	ZINC000627473375	373682359	/nfs/dbraw/zinc/68/23/59/373682359.db2.gz	MHOKKXJJHSWCPJ-CHWSQXEVSA-N	2	0	312.414	-1.109	20	0		DAADRP
CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1	ZINC000627475675	373684158	/nfs/dbraw/zinc/68/41/58/373684158.db2.gz	RYDBCKSIWMXRKY-CHWSQXEVSA-N	2	0	312.414	-1.061	20	0		DAADRP
CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC000627475488	373684614	/nfs/dbraw/zinc/68/46/14/373684614.db2.gz	NQINQONBEFVSHR-LBPRGKRZSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000627498946	373686130	/nfs/dbraw/zinc/68/61/30/373686130.db2.gz	SEDAFOMDIUOTAH-QWHCGFSZSA-N	3	0	313.446	-1.195	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C	ZINC000627499235	373686768	/nfs/dbraw/zinc/68/67/68/373686768.db2.gz	DOMYRLUMKHYWHQ-NWDGAFQWSA-N	2	0	300.403	-1.110	20	0		DAADRP
C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)C1	ZINC000627504371	373688270	/nfs/dbraw/zinc/68/82/70/373688270.db2.gz	KTYJMACHAKPSNA-ZIAGYGMSSA-N	2	0	323.441	-1.297	20	0		DAADRP
CN(CCC[NH+](C)C)CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1	ZINC000631950602	373703580	/nfs/dbraw/zinc/70/35/80/373703580.db2.gz	LXYFQYTUHINZBK-ZDUSSCGKSA-N	2	0	322.475	-1.222	20	0		DAADRP
CCO[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH3+]	ZINC000631947734	373703708	/nfs/dbraw/zinc/70/37/08/373703708.db2.gz	LGQQWWQFFATPAL-GRYCIOLGSA-N	2	0	307.416	-1.400	20	0		DAADRP
O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC000631937747	373704082	/nfs/dbraw/zinc/70/40/82/373704082.db2.gz	ZIFXGYDLGBVKCE-QWHCGFSZSA-N	2	0	318.443	-1.716	20	0		DAADRP
C[NH+]1CCN(CCCS(=O)(=O)NCCOCCC[NH3+])CC1	ZINC000631955528	373704377	/nfs/dbraw/zinc/70/43/77/373704377.db2.gz	MLVAULLNNIOLLD-UHFFFAOYSA-N	2	0	322.475	-1.091	20	0		DAADRP
[NH3+][C@H]1CCCCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC000633112396	373731284	/nfs/dbraw/zinc/73/12/84/373731284.db2.gz	YUXDVGZCHKESFS-MELADBBJSA-N	2	0	324.425	-1.006	20	0		DAADRP
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCOC1C[NH2+]C1	ZINC000659357945	545792027	/nfs/dbraw/zinc/79/20/27/545792027.db2.gz	DHAOEOPYMUMOLS-UHFFFAOYSA-N	2	0	300.403	-1.157	20	0		DAADRP
CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC000627393161	545828856	/nfs/dbraw/zinc/82/88/56/545828856.db2.gz	QFJDSDMLCYTHSX-GFCCVEGCSA-N	2	0	300.403	-1.061	20	0		DAADRP
O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1	ZINC000627380817	545829255	/nfs/dbraw/zinc/82/92/55/545829255.db2.gz	ZLTIHCKXVLWJBQ-STQMWFEESA-N	2	0	310.398	-1.309	20	0		DAADRP
COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC000627384809	545829482	/nfs/dbraw/zinc/82/94/82/545829482.db2.gz	PFPBWPUODFGANK-GFCCVEGCSA-N	2	0	316.402	-1.825	20	0		DAADRP
C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1	ZINC001193487508	782006634	/nfs/dbraw/zinc/00/66/34/782006634.db2.gz	AHLIJIQYBJCZKG-RYUDHWBXSA-N	2	0	300.403	-1.029	20	0		DAADRP
O=C(CNC(=O)[C@H]1CCC[NH2+]CC1)NCCN1CCOCC1	ZINC000653112572	409328416	/nfs/dbraw/zinc/32/84/16/409328416.db2.gz	BOHDVVVBDMKDSE-ZDUSSCGKSA-N	2	0	312.414	-1.059	20	0		DAADRP
C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1=O	ZINC000655297540	409329224	/nfs/dbraw/zinc/32/92/24/409329224.db2.gz	LNPOBDPWXNYNEY-HZSPNIEDSA-N	2	0	324.425	-1.326	20	0		DAADRP
O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1C[C@H](O)C[NH2+]1	ZINC000648131051	409322010	/nfs/dbraw/zinc/32/20/10/409322010.db2.gz	WSBLSKKGLOTAGR-IVZWLZJFSA-N	2	0	310.320	-1.339	20	0		DAADRP
[NH3+][C@@H]1CCCCN(CC(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)C1=O	ZINC000648136026	409322369	/nfs/dbraw/zinc/32/23/69/409322369.db2.gz	LVORBKZJWGNHJB-FRRDWIJNSA-N	2	0	310.398	-1.085	20	0		DAADRP
C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1	ZINC000636746318	409386324	/nfs/dbraw/zinc/38/63/24/409386324.db2.gz	GPNRJIZTIWPAGC-ZIAGYGMSSA-N	2	0	313.446	-1.012	20	0		DAADRP
CN(CCC[NH3+])C(=O)C[C@@]1(C(=O)N(C)CCC[NH3+])CC[NH2+]C1	ZINC000647830576	409398820	/nfs/dbraw/zinc/39/88/20/409398820.db2.gz	SASHZLCRJYAWAB-HNNXBMFYSA-N	3	0	313.446	-1.029	20	0		DAADRP
Cn1cc([C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)C[C@H]2[NH3+])cn1	ZINC000653166379	409337940	/nfs/dbraw/zinc/33/79/40/409337940.db2.gz	FMHVEABBWJKKIX-XPCVCDNBSA-N	2	0	305.382	-1.091	20	0		DAADRP
COCC[N@H+](C)CCN1C[C@@H](NC(=O)C[NH+](C)C)CC1=O	ZINC000348837063	409402118	/nfs/dbraw/zinc/40/21/18/409402118.db2.gz	GGDFGTMEVCDFAT-LBPRGKRZSA-N	2	0	300.403	-1.157	20	0		DAADRP
C[NH2+]CCN(C)C(=O)C[C@]1(C(=O)N(C)CC[NH2+]C)CC[NH2+]C1	ZINC000371404405	409512647	/nfs/dbraw/zinc/51/26/47/409512647.db2.gz	NIABEZPAOSPDSL-OAHLLOKOSA-N	3	0	313.446	-1.288	20	0		DAADRP
CCN1CCO[C@@H](C(=O)N2CCCN(CC(=O)NC)CC2)C1	ZINC000372680855	409515224	/nfs/dbraw/zinc/51/52/24/409515224.db2.gz	NOCUNKUPZORDOQ-CYBMUJFWSA-N	2	0	312.414	-1.013	20	0		DAADRP
CCN1CCO[C@H](C(=O)N2CCCN(CC(=O)NC)CC2)C1	ZINC000372680856	409516685	/nfs/dbraw/zinc/51/66/85/409516685.db2.gz	NOCUNKUPZORDOQ-ZDUSSCGKSA-N	2	0	312.414	-1.013	20	0		DAADRP
CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1	ZINC000659738185	409534888	/nfs/dbraw/zinc/53/48/88/409534888.db2.gz	BEQLPUSKJBSGLM-STQMWFEESA-N	2	0	311.430	-1.312	20	0		DAADRP
C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[NH2+]CC1	ZINC000423205611	409543480	/nfs/dbraw/zinc/54/34/80/409543480.db2.gz	FEPQZCKVFTWNKQ-ZDUSSCGKSA-N	2	0	312.414	-1.013	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1	ZINC000423260877	409547745	/nfs/dbraw/zinc/54/77/45/409547745.db2.gz	IOJBXROJJVELRK-GFCCVEGCSA-N	2	0	300.403	-1.027	20	0		DAADRP
CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1	ZINC000424545260	409551156	/nfs/dbraw/zinc/55/11/56/409551156.db2.gz	LODBQKAZVIJMTL-QWHCGFSZSA-N	2	0	322.413	-1.307	20	0		DAADRP
NCC(F)(F)CNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1	ZINC000659725204	409693071	/nfs/dbraw/zinc/69/30/71/409693071.db2.gz	TZDVFKWYPIRGGT-JTQLQIEISA-N	2	0	320.340	-1.370	20	0		DAADRP
O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000659739021	409699584	/nfs/dbraw/zinc/69/95/84/409699584.db2.gz	DKZWWIPJPUNLCA-XWAURUHHSA-N	2	0	308.382	-1.868	20	0		DAADRP
CC(C)[NH+]1CCC(NC(=O)CN(CC[NH3+])C[C@@H](O)CO)CC1	ZINC000662289296	409709380	/nfs/dbraw/zinc/70/93/80/409709380.db2.gz	ZBIVKAZVARNQCS-CQSZACIVSA-N	2	0	316.446	-1.411	20	0		DAADRP
O=C(N[C@H]1CC[NH2+]C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000529344633	409643454	/nfs/dbraw/zinc/64/34/54/409643454.db2.gz	RHTZVIKRVCEVQT-LBPRGKRZSA-N	2	0	310.402	-1.299	20	0		DAADRP
O=C(NCC1C[NH2+]C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000529335270	409643769	/nfs/dbraw/zinc/64/37/69/409643769.db2.gz	JPZKSISYVOORGN-UHFFFAOYSA-N	2	0	310.402	-1.442	20	0		DAADRP
C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CCO1	ZINC000649274889	409653768	/nfs/dbraw/zinc/65/37/68/409653768.db2.gz	ZEPXENDVACGBQY-RWMBFGLXSA-N	2	0	312.414	-1.029	20	0		DAADRP
COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](C)C[C@H](C(=O)OC)C1	ZINC000568998309	409658394	/nfs/dbraw/zinc/65/83/94/409658394.db2.gz	TYTKNJPQSYOEHY-UONOGXRCSA-N	2	0	317.430	-1.038	20	0		DAADRP
COC(=O)CN(C)C(=O)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1	ZINC000576292252	409660391	/nfs/dbraw/zinc/66/03/91/409660391.db2.gz	ISBUXYXCNUBKEA-WDEREUQCSA-N	2	0	312.370	-1.748	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1	ZINC000659683247	409689388	/nfs/dbraw/zinc/68/93/88/409689388.db2.gz	WRFHUBCBRLVUKJ-IJLUTSLNSA-N	2	0	315.393	-1.754	20	0		DAADRP
CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C	ZINC000659681893	409690165	/nfs/dbraw/zinc/69/01/65/409690165.db2.gz	DHRWARQBUFYXGD-CHWSQXEVSA-N	2	0	313.446	-1.162	20	0		DAADRP
COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1	ZINC000659706873	409690261	/nfs/dbraw/zinc/69/02/61/409690261.db2.gz	QYMBWXRGDBTGFH-AVERBVTBSA-N	2	0	310.398	-1.309	20	0		DAADRP
CN(CC[NH3+])C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000662960086	409722573	/nfs/dbraw/zinc/72/25/73/409722573.db2.gz	MADKOGMGBCDEMW-LBPRGKRZSA-N	2	0	300.403	-1.027	20	0		DAADRP
C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+](C)C	ZINC000448491210	409745302	/nfs/dbraw/zinc/74/53/02/409745302.db2.gz	SWDFORANBHRHRG-LLVKDONJSA-N	2	0	310.402	-0.551	20	0		DAADRP
CN(CCC[NH+](C)C)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1	ZINC000662632656	409714064	/nfs/dbraw/zinc/71/40/64/409714064.db2.gz	SHAXXBPNMPAEIZ-CYBMUJFWSA-N	2	0	313.446	-1.146	20	0		DAADRP
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H](N)CC[NH+](C)C	ZINC000662872862	409717880	/nfs/dbraw/zinc/71/78/80/409717880.db2.gz	DVCQWCPXHAWYDL-GFCCVEGCSA-N	2	0	301.435	-1.256	20	0		DAADRP
Nc1nc(-n2cccn2)cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)[nH+]1	ZINC000581677712	409811277	/nfs/dbraw/zinc/81/12/77/409811277.db2.gz	LALHJFWNKQEMKJ-UWVGGRQHSA-N	2	0	314.353	-1.007	20	0		DAADRP
COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1	ZINC001193821940	782018915	/nfs/dbraw/zinc/01/89/15/782018915.db2.gz	UCOGAIJTRUJWFX-BFHYXJOUSA-N	2	0	315.414	-1.361	20	0		DAADRP
CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@H]1O	ZINC001194244029	782032825	/nfs/dbraw/zinc/03/28/25/782032825.db2.gz	IDTDPDUNAYLFHD-JHJVBQTASA-N	2	0	317.430	-1.115	20	0		DAADRP
C[C@@]1(C(N)=O)CC[NH+](CC(O)C[N@H+]2CC[C@@](C)(C(N)=O)C2)C1	ZINC000361556032	263220010	/nfs/dbraw/zinc/22/00/10/263220010.db2.gz	DTAZAAUUSUNNGZ-HUUCEWRRSA-N	2	0	312.414	-1.258	20	0		DAADRP
C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1	ZINC000419417086	263226141	/nfs/dbraw/zinc/22/61/41/263226141.db2.gz	WPGYYAVIWRZSKK-OLZOCXBDSA-N	2	0	312.414	-1.061	20	0		DAADRP
C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1	ZINC000419877791	263230379	/nfs/dbraw/zinc/23/03/79/263230379.db2.gz	IQJQMPYXIGIJIL-RYUDHWBXSA-N	2	0	312.414	-1.232	20	0		DAADRP
O=C([C@H]1C[NH2+]CCO1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000444161378	263236505	/nfs/dbraw/zinc/23/65/05/263236505.db2.gz	OEPRKPKBWQOPAT-QWHCGFSZSA-N	2	0	310.398	-1.355	20	0		DAADRP
C[C@H]1CN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C[C@@H]1N1CCOCC1	ZINC000332674537	263237510	/nfs/dbraw/zinc/23/75/10/263237510.db2.gz	RCWAHIIEEIUTJE-MJBXVCDLSA-N	2	0	324.425	-1.014	20	0		DAADRP
CN1CCO[C@H]2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)C[C@@H]21	ZINC000329937825	263247897	/nfs/dbraw/zinc/24/78/97/263247897.db2.gz	SEJVMGNXVONTKQ-RDBSUJKOSA-N	2	0	324.425	-1.062	20	0		DAADRP
C[C@@H]([NH2+]C1CC1)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1	ZINC000424048429	263248314	/nfs/dbraw/zinc/24/83/14/263248314.db2.gz	YVOIJTLPEBOJST-SNVBAGLBSA-N	2	0	316.427	-1.427	20	0		DAADRP
CN(CC(=O)NC(=O)NC(C)(C)C)CC(=O)N1CC[NH2+]CC1	ZINC000261985350	263249468	/nfs/dbraw/zinc/24/94/68/263249468.db2.gz	SAFOOMTYTOOSBH-UHFFFAOYSA-N	2	0	313.402	-1.026	20	0		DAADRP
CN1CCO[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)C[C@H]21	ZINC000329937824	263249681	/nfs/dbraw/zinc/24/96/81/263249681.db2.gz	SEJVMGNXVONTKQ-MGPQQGTHSA-N	2	0	324.425	-1.062	20	0		DAADRP
COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[NH3+])CC2)c1	ZINC000419817355	263251194	/nfs/dbraw/zinc/25/11/94/263251194.db2.gz	LTJWWXIHRSJXKO-UHFFFAOYSA-N	2	0	307.354	-1.186	20	0		DAADRP
CNS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)N2CCN(C)CC2)C1	ZINC000374861324	263253548	/nfs/dbraw/zinc/25/35/48/263253548.db2.gz	HOSCNBOWZMBFMK-LBPRGKRZSA-N	2	0	318.443	-1.226	20	0		DAADRP
CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1	ZINC000419288677	263256268	/nfs/dbraw/zinc/25/62/68/263256268.db2.gz	RVGSYGWZEKDSMF-GFCCVEGCSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1	ZINC000515048637	263273989	/nfs/dbraw/zinc/27/39/89/263273989.db2.gz	LKLSDZGCLCUYQS-ZDUSSCGKSA-N	3	0	313.446	-1.194	20	0		DAADRP
CN(CCCNC(=O)CN1C[C@@H]2C[NH2+]C[C@H]2C1)S(C)(=O)=O	ZINC000359269947	263276449	/nfs/dbraw/zinc/27/64/49/263276449.db2.gz	DRNPRJGQBQICFW-RYUDHWBXSA-N	2	0	318.443	-1.465	20	0		DAADRP
C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C	ZINC000423542144	263280928	/nfs/dbraw/zinc/28/09/28/263280928.db2.gz	SYNIRUBNDWKSAL-LBPRGKRZSA-N	2	0	314.430	-1.032	20	0		DAADRP
C[NH+](CCOCC[N@@H+](C)[C@@H]1COC[C@@H]1O)[C@@H]1COC[C@H]1O	ZINC000352798056	263282269	/nfs/dbraw/zinc/28/22/69/263282269.db2.gz	XCKIXSRNFPTLRU-SYQHCUMBSA-N	2	0	304.387	-1.614	20	0		DAADRP
C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[NH2+]CC2)CCSC1	ZINC000419581284	263283201	/nfs/dbraw/zinc/28/32/01/263283201.db2.gz	JIDVPUWWHBOITQ-ZDUSSCGKSA-N	2	0	300.428	-1.028	20	0		DAADRP
C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(CCOC)CC1	ZINC000423609444	263283393	/nfs/dbraw/zinc/28/33/93/263283393.db2.gz	MGUYLKUUKLHLNH-ZDUSSCGKSA-N	2	0	312.414	-1.013	20	0		DAADRP
COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1	ZINC000423260657	263288401	/nfs/dbraw/zinc/28/84/01/263288401.db2.gz	HWPXESSNKVRZJE-VXGBXAGGSA-N	2	0	300.403	-1.171	20	0		DAADRP
[NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCN1C(=O)CNC1=O	ZINC000436063608	263296352	/nfs/dbraw/zinc/29/63/52/263296352.db2.gz	UODOTMFQCRYKDC-LLVKDONJSA-N	2	0	311.386	-1.142	20	0		DAADRP
COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1	ZINC000419702778	263303899	/nfs/dbraw/zinc/30/38/99/263303899.db2.gz	BYPJGTOSSOUXJG-AVGNSLFASA-N	2	0	312.414	-1.063	20	0		DAADRP
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1	ZINC000357930949	263308157	/nfs/dbraw/zinc/30/81/57/263308157.db2.gz	WCFORBFNTCSUGC-AGIUHOORSA-N	2	0	312.414	-1.232	20	0		DAADRP
C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1	ZINC000358724279	263308636	/nfs/dbraw/zinc/30/86/36/263308636.db2.gz	QRMHSXYDCCBNTD-HIFRSBDPSA-N	2	0	313.446	-1.012	20	0		DAADRP
CC1=CC[N@H+](CCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1	ZINC000419231351	263317963	/nfs/dbraw/zinc/31/79/63/263317963.db2.gz	ZOMFYLXNTKSRNN-ZDUSSCGKSA-N	2	0	310.398	-1.059	20	0		DAADRP
C[NH+](CCOCC[N@@H+](C)[C@H]1COC[C@@H]1O)[C@@H]1COC[C@@H]1O	ZINC000352798044	263325647	/nfs/dbraw/zinc/32/56/47/263325647.db2.gz	XCKIXSRNFPTLRU-CRWXNKLISA-N	2	0	304.387	-1.614	20	0		DAADRP
C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O	ZINC001195701701	782077573	/nfs/dbraw/zinc/07/75/73/782077573.db2.gz	QHJXOKMUAUPFOV-CHWSQXEVSA-N	2	0	303.403	-1.502	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O	ZINC001195859005	782085536	/nfs/dbraw/zinc/08/55/36/782085536.db2.gz	AHOUUBVLSBHIOF-YNEHKIRRSA-N	2	0	322.413	-1.122	20	0		DAADRP
CN1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)[C@H](C[NH3+])C1	ZINC000569359815	332049281	/nfs/dbraw/zinc/04/92/81/332049281.db2.gz	ROIWKOPMTDKORA-VXGBXAGGSA-N	2	0	307.402	-1.255	20	0		DAADRP
CN1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)[C@@H](C[NH3+])C1	ZINC000569359814	332049291	/nfs/dbraw/zinc/04/92/91/332049291.db2.gz	ROIWKOPMTDKORA-RYUDHWBXSA-N	2	0	307.402	-1.255	20	0		DAADRP
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)C[C@H](O)C[NH3+])C1	ZINC000566302762	332327007	/nfs/dbraw/zinc/32/70/07/332327007.db2.gz	UIHJXVKXJGRWOO-ZIAGYGMSSA-N	3	0	316.446	-1.289	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1	ZINC000567223383	336356659	/nfs/dbraw/zinc/35/66/59/336356659.db2.gz	XCOJGWHMABYPBQ-CYBMUJFWSA-N	3	0	313.446	-1.194	20	0		DAADRP
CN1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1	ZINC000582287117	336885863	/nfs/dbraw/zinc/88/58/63/336885863.db2.gz	PTDZSJRHHSQJSZ-UHFFFAOYSA-N	2	0	313.446	-1.288	20	0		DAADRP
COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1	ZINC000420190475	337496523	/nfs/dbraw/zinc/49/65/23/337496523.db2.gz	VSBMDLZMRFNWCX-LBPRGKRZSA-N	2	0	300.403	-1.109	20	0		DAADRP
CN(CC(=O)N1CC[NH2+]CC1)C(=O)C[C@H]1CSCC[NH2+]1	ZINC000574751938	341767841	/nfs/dbraw/zinc/76/78/41/341767841.db2.gz	HAUIWQSFVNCTOG-NSHDSACASA-N	2	0	300.428	-1.028	20	0		DAADRP
C[NH+](C)CCN1C[C@@H](C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1=O	ZINC000576282784	341838100	/nfs/dbraw/zinc/83/81/00/341838100.db2.gz	SSLRYZOSLIGTSG-STQMWFEESA-N	2	0	312.414	-1.027	20	0		DAADRP
CC[NH+](CC)CC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1O	ZINC001197057546	782121780	/nfs/dbraw/zinc/12/17/80/782121780.db2.gz	DDPFQBUPSDJDEK-JHJVBQTASA-N	2	0	312.414	-1.232	20	0		DAADRP
CC[NH+](CC)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@H]1O	ZINC001197057713	782121909	/nfs/dbraw/zinc/12/19/09/782121909.db2.gz	HJBRPZYYRXMCIJ-YNEHKIRRSA-N	2	0	314.430	-1.034	20	0		DAADRP
CC[NH+](CC)CC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1O	ZINC001197057545	782122557	/nfs/dbraw/zinc/12/25/57/782122557.db2.gz	DDPFQBUPSDJDEK-FRRDWIJNSA-N	2	0	312.414	-1.232	20	0		DAADRP
COCCn1cc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cnc1=O	ZINC001197713983	782140283	/nfs/dbraw/zinc/14/02/83/782140283.db2.gz	PXMNFYQVGLTOJU-UHFFFAOYSA-N	2	0	310.358	-1.036	20	0		DAADRP
COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1	ZINC001197947993	782143467	/nfs/dbraw/zinc/14/34/67/782143467.db2.gz	BQGYCJMPYHSOGN-MGPQQGTHSA-N	2	0	317.430	-1.113	20	0		DAADRP
C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O	ZINC001197948090	782144218	/nfs/dbraw/zinc/14/42/18/782144218.db2.gz	FNMLZRIEUXRPBL-ZIAGYGMSSA-N	2	0	317.430	-1.112	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@H]1O	ZINC001198029709	782147516	/nfs/dbraw/zinc/14/75/16/782147516.db2.gz	WCWPGWFVLWHETJ-JHJVBQTASA-N	2	0	303.403	-1.503	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O	ZINC001152433217	782153825	/nfs/dbraw/zinc/15/38/25/782153825.db2.gz	YAMNYKJGIGYTOY-UHFFFAOYSA-N	2	0	313.402	-1.026	20	0		DAADRP
CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+]	ZINC000517731288	545646605	/nfs/dbraw/zinc/64/66/05/545646605.db2.gz	VDMCHXBXNWYFSU-CYBMUJFWSA-N	2	0	311.430	-1.360	20	0		DAADRP
COCCC[N@H+](C)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1	ZINC000351556835	545723277	/nfs/dbraw/zinc/72/32/77/545723277.db2.gz	HPBPVHCQLVKUQF-LBPRGKRZSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000331577064	545726803	/nfs/dbraw/zinc/72/68/03/545726803.db2.gz	WHRIIWKOMQPMNU-ZIAGYGMSSA-N	2	0	323.441	-1.297	20	0		DAADRP
CN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1C[NH2+]C[C@@H]1O	ZINC000419694322	545766945	/nfs/dbraw/zinc/76/69/45/545766945.db2.gz	KOGNFJUROAWGFN-UBHSHLNASA-N	2	0	324.425	-1.089	20	0		DAADRP
C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N(CC[NH3+])CCO)C1	ZINC000419418234	545767224	/nfs/dbraw/zinc/76/72/24/545767224.db2.gz	YAOLIHDNRYPSFS-GFCCVEGCSA-N	2	0	300.403	-1.386	20	0		DAADRP
CC[NH+](CC)CC(=O)N1CCN(C(=O)COCC[NH3+])CC1	ZINC000645930153	545786432	/nfs/dbraw/zinc/78/64/32/545786432.db2.gz	IYXOXGDSPFUGCU-UHFFFAOYSA-N	2	0	300.403	-1.026	20	0		DAADRP
O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21	ZINC000649335457	545801817	/nfs/dbraw/zinc/80/18/17/545801817.db2.gz	DHIVQXOYBBXMNR-KBXIAJHMSA-N	2	0	308.426	-1.026	20	0		DAADRP
[NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC000656022238	545810008	/nfs/dbraw/zinc/81/00/08/545810008.db2.gz	WSRBVTPQOYFIBL-FVCCEPFGSA-N	2	0	310.398	-1.350	20	0		DAADRP
[NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC000656022339	545810500	/nfs/dbraw/zinc/81/05/00/545810500.db2.gz	WSRBVTPQOYFIBL-MROQNXINSA-N	2	0	310.398	-1.350	20	0		DAADRP
CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656025592	545810988	/nfs/dbraw/zinc/81/09/88/545810988.db2.gz	OBHPCJUWAAOTOR-RWMBFGLXSA-N	2	0	312.414	-1.103	20	0		DAADRP
[NH3+]C[C@@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1CCCC1	ZINC000656023991	545811760	/nfs/dbraw/zinc/81/17/60/545811760.db2.gz	GWDGYUIQWWPUKI-BFHYXJOUSA-N	2	0	324.425	-1.103	20	0		DAADRP
[NH3+]C[C@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1CCCC1	ZINC000656023992	545811790	/nfs/dbraw/zinc/81/17/90/545811790.db2.gz	GWDGYUIQWWPUKI-MJBXVCDLSA-N	2	0	324.425	-1.103	20	0		DAADRP
CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656021758	545811997	/nfs/dbraw/zinc/81/19/97/545811997.db2.gz	JELTWCVMNCFAHS-QWHCGFSZSA-N	2	0	312.414	-1.232	20	0		DAADRP
CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656025591	545812025	/nfs/dbraw/zinc/81/20/25/545812025.db2.gz	OBHPCJUWAAOTOR-FRRDWIJNSA-N	2	0	312.414	-1.103	20	0		DAADRP
COCC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656025380	545812070	/nfs/dbraw/zinc/81/20/70/545812070.db2.gz	JBADGHOMNIVVPC-NWDGAFQWSA-N	2	0	314.386	-2.384	20	0		DAADRP
CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656068160	545812566	/nfs/dbraw/zinc/81/25/66/545812566.db2.gz	QEWXFBIOAYIAND-UONOGXRCSA-N	2	0	324.425	-1.182	20	0		DAADRP
CCCN(C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CC[NH2+]C1	ZINC000656105252	545815097	/nfs/dbraw/zinc/81/50/97/545815097.db2.gz	ZWKHLGZTUCYCEQ-HZSPNIEDSA-N	2	0	324.425	-1.136	20	0		DAADRP
CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]1	ZINC000656104274	545817168	/nfs/dbraw/zinc/81/71/68/545817168.db2.gz	MRUMBAPOXATALY-BFHYXJOUSA-N	2	0	324.425	-1.280	20	0		DAADRP
C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC000656104264	545817336	/nfs/dbraw/zinc/81/73/36/545817336.db2.gz	MNACRJKFURLCIR-RFQIPJPRSA-N	2	0	324.425	-1.150	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H](C)[NH2+]1	ZINC000656103706	545817426	/nfs/dbraw/zinc/81/74/26/545817426.db2.gz	BKPAWYCTFKBVFV-QNWHQSFQSA-N	2	0	310.398	-1.527	20	0		DAADRP
C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@@H]1C[NH3+]	ZINC000656104581	545817561	/nfs/dbraw/zinc/81/75/61/545817561.db2.gz	RCIKFIVOHQVXRY-XJFOESAGSA-N	2	0	324.425	-1.150	20	0		DAADRP
O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000656104561	545817696	/nfs/dbraw/zinc/81/76/96/545817696.db2.gz	QLESCMSGCUFQAT-QNWHQSFQSA-N	2	0	308.382	-2.058	20	0		DAADRP
C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@@H](C)C[NH2+]1	ZINC000656104004	545817819	/nfs/dbraw/zinc/81/78/19/545817819.db2.gz	FMHKSBYTPLTJQD-ZDEQEGDKSA-N	2	0	310.398	-1.527	20	0		DAADRP
O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1	ZINC000656103966	545817878	/nfs/dbraw/zinc/81/78/78/545817878.db2.gz	DOIMYUPAOATABB-IGQOVBAYSA-N	2	0	322.409	-1.526	20	0		DAADRP
CC[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1[NH3+]	ZINC000656104020	545817960	/nfs/dbraw/zinc/81/79/60/545817960.db2.gz	FVEBITPXSOFBGU-IGQOVBAYSA-N	2	0	324.425	-1.150	20	0		DAADRP
CC[NH+](CC)CCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000656281330	545818087	/nfs/dbraw/zinc/81/80/87/545818087.db2.gz	BZBIFEXXICZEHC-QWHCGFSZSA-N	2	0	312.414	-1.278	20	0		DAADRP
CC[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[C@@H]1[NH3+]	ZINC000656104019	545818219	/nfs/dbraw/zinc/81/82/19/545818219.db2.gz	FVEBITPXSOFBGU-FQUUOJAGSA-N	2	0	324.425	-1.150	20	0		DAADRP
C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C	ZINC000656316184	545820170	/nfs/dbraw/zinc/82/01/70/545820170.db2.gz	PVHLLXRNUPPVNE-YIYPIFLZSA-N	2	0	324.425	-1.137	20	0		DAADRP
C[N@H+](CCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)C1CC1	ZINC000656303839	545820882	/nfs/dbraw/zinc/82/08/82/545820882.db2.gz	NLUKJOMLLVVFPR-QWHCGFSZSA-N	2	0	310.398	-1.526	20	0		DAADRP
C[C@@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C[NH+]1CCCC1	ZINC000627398556	545830723	/nfs/dbraw/zinc/83/07/23/545830723.db2.gz	PUCNKMAVKZPZBR-STQMWFEESA-N	2	0	312.414	-1.061	20	0		DAADRP
C[C@@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C[NH+]1CCCC1	ZINC000627398555	545830743	/nfs/dbraw/zinc/83/07/43/545830743.db2.gz	PUCNKMAVKZPZBR-QWHCGFSZSA-N	2	0	312.414	-1.061	20	0		DAADRP
C[NH+](C)CCCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000448535486	545846250	/nfs/dbraw/zinc/84/62/50/545846250.db2.gz	USBJZQYGKOIAQV-UHFFFAOYSA-N	2	0	310.402	-0.549	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1	ZINC001199787905	782186466	/nfs/dbraw/zinc/18/64/66/782186466.db2.gz	HOIBNDUUKLHBPC-NSHDSACASA-N	2	0	311.386	-1.144	20	0		DAADRP
COCC[N@H+](C)C[C@@H](O)CN1CCC[NH2+]C[C@H]1C(=O)OC	ZINC000923354386	663696554	/nfs/dbraw/zinc/69/65/54/663696554.db2.gz	TUZXIDKQWWLCDB-OLZOCXBDSA-N	2	0	303.403	-1.238	20	0		DAADRP
Cn1[nH]c(C[NH2+]C2CC(NC(=O)C34CC[NH+](CC3)C4)C2)nc1=O	ZINC001020933186	662345471	/nfs/dbraw/zinc/34/54/71/662345471.db2.gz	CNZCJTLLDZAVBN-XYPYZODXSA-N	2	0	320.397	-1.059	20	0		DAADRP
Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1=O	ZINC001021047735	662349046	/nfs/dbraw/zinc/34/90/46/662349046.db2.gz	NBQVATXZRCGRIZ-DCAQKATOSA-N	2	0	308.386	-1.203	20	0		DAADRP
C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)cn1	ZINC000970230541	662354445	/nfs/dbraw/zinc/35/44/45/662354445.db2.gz	BQMJUZRHHWVCPL-GFCCVEGCSA-N	2	0	308.386	-1.266	20	0		DAADRP
C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)n1	ZINC001022096874	662386900	/nfs/dbraw/zinc/38/69/00/662386900.db2.gz	MTIMIOOIISISFV-PHIMTYICSA-N	2	0	308.386	-1.220	20	0		DAADRP
C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)C(N)=O	ZINC001022451455	662392785	/nfs/dbraw/zinc/39/27/85/662392785.db2.gz	ACHZSXJSKYTNGU-MRPGRKOTSA-N	2	0	322.409	-1.040	20	0		DAADRP
COCCOC[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1	ZINC000234694792	662394530	/nfs/dbraw/zinc/39/45/30/662394530.db2.gz	NKZLXVUHRSYFND-OLZOCXBDSA-N	2	0	303.403	-1.203	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2C)CC[C@@H]1C[NH3+]	ZINC000926417610	662407734	/nfs/dbraw/zinc/40/77/34/662407734.db2.gz	HFWHSLPLYDMKIE-NDBYEHHHSA-N	2	0	312.414	-1.389	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2C)CC[C@@H]1C[NH3+]	ZINC000926417593	662407780	/nfs/dbraw/zinc/40/77/80/662407780.db2.gz	HFWHSLPLYDMKIE-FVCCEPFGSA-N	2	0	312.414	-1.389	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1	ZINC001023086842	662428323	/nfs/dbraw/zinc/42/83/23/662428323.db2.gz	YXLOKVOQCATIQU-SDDRHHMPSA-N	2	0	323.397	-1.273	20	0		DAADRP
O=S(=O)(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[NH2+]CC1	ZINC000091673350	662428374	/nfs/dbraw/zinc/42/83/74/662428374.db2.gz	BADQYKHLYJPWOK-RYUDHWBXSA-N	2	0	304.416	-1.411	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21	ZINC001025708515	662526807	/nfs/dbraw/zinc/52/68/07/662526807.db2.gz	UHTJGBJGGGSQPA-OJROKELRSA-N	2	0	320.393	-1.068	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21	ZINC001025708516	662527983	/nfs/dbraw/zinc/52/79/83/662527983.db2.gz	UHTJGBJGGGSQPA-SVPLCASGSA-N	2	0	320.393	-1.068	20	0		DAADRP
O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000314238993	662533359	/nfs/dbraw/zinc/53/33/59/662533359.db2.gz	XCKWPLHGONRSRW-AVGNSLFASA-N	2	0	319.427	-1.243	20	0		DAADRP
C[NH+](C)CC(=O)N1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1	ZINC000895628688	662704393	/nfs/dbraw/zinc/70/43/93/662704393.db2.gz	DUEIIAFMFMQHIG-CQSZACIVSA-N	2	0	324.425	-1.061	20	0		DAADRP
C[NH+](C)CC(=O)N1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1	ZINC000895628687	662704442	/nfs/dbraw/zinc/70/44/42/662704442.db2.gz	DUEIIAFMFMQHIG-AWEZNQCLSA-N	2	0	324.425	-1.061	20	0		DAADRP
[NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1	ZINC000903713239	662790157	/nfs/dbraw/zinc/79/01/57/662790157.db2.gz	JEPPHIPVNSCITH-GFCCVEGCSA-N	2	0	318.443	-1.191	20	0		DAADRP
C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCO1	ZINC000904959072	662792386	/nfs/dbraw/zinc/79/23/86/662792386.db2.gz	KJEZIRRACOOGSC-BCUIYNNISA-N	2	0	324.425	-1.029	20	0		DAADRP
COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+]1CCCC1	ZINC000905011922	662793082	/nfs/dbraw/zinc/79/30/82/662793082.db2.gz	AFRPXIZEAPDKNN-CYBMUJFWSA-N	2	0	312.414	-1.013	20	0		DAADRP
CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000904986062	662793631	/nfs/dbraw/zinc/79/36/31/662793631.db2.gz	FMOKXWLEDVZMLE-CHWSQXEVSA-N	2	0	312.414	-1.149	20	0		DAADRP
C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1	ZINC000904989644	662793634	/nfs/dbraw/zinc/79/36/34/662793634.db2.gz	MNJAKSQXIFSVQX-MGPQQGTHSA-N	2	0	324.425	-1.136	20	0		DAADRP
O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO	ZINC000904987613	662793676	/nfs/dbraw/zinc/79/36/76/662793676.db2.gz	QGQMPYPZTDXBTH-IGQOVBAYSA-N	2	0	322.409	-1.383	20	0		DAADRP
C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC[NH2+]1	ZINC000904988096	662793912	/nfs/dbraw/zinc/79/39/12/662793912.db2.gz	SMMNBVKESZPRSH-IHRRRGAJSA-N	2	0	324.425	-1.136	20	0		DAADRP
C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000904985405	662793923	/nfs/dbraw/zinc/79/39/23/662793923.db2.gz	BCZPUDQAJGAWGA-STQMWFEESA-N	2	0	312.414	-1.278	20	0		DAADRP
COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1	ZINC000905017759	662793927	/nfs/dbraw/zinc/79/39/27/662793927.db2.gz	WFONZFYIRUPUCI-CHWSQXEVSA-N	2	0	312.414	-1.014	20	0		DAADRP
COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1	ZINC000905016557	662793996	/nfs/dbraw/zinc/79/39/96/662793996.db2.gz	SMHKNZFFQNIGNJ-CJNGLKHVSA-N	2	0	324.425	-1.013	20	0		DAADRP
C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1	ZINC000904989642	662794020	/nfs/dbraw/zinc/79/40/20/662794020.db2.gz	MNJAKSQXIFSVQX-HZSPNIEDSA-N	2	0	324.425	-1.136	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC[NH2+]1	ZINC000904991067	662794248	/nfs/dbraw/zinc/79/42/48/662794248.db2.gz	SMMNBVKESZPRSH-MGPQQGTHSA-N	2	0	324.425	-1.136	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC[NH2+]1	ZINC000904991070	662794573	/nfs/dbraw/zinc/79/45/73/662794573.db2.gz	SMMNBVKESZPRSH-RDBSUJKOSA-N	2	0	324.425	-1.136	20	0		DAADRP
COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000905022390	662794714	/nfs/dbraw/zinc/79/47/14/662794714.db2.gz	QSSRXIARNUYLDF-IHRRRGAJSA-N	2	0	324.425	-1.014	20	0		DAADRP
CN1CC[N@H+](C)CC(C(=O)NC[C@@H]2C[NH+]3CCN2CCC3)C1	ZINC000908029556	662799146	/nfs/dbraw/zinc/79/91/46/662799146.db2.gz	UCTOPVSESLDAJC-OAHLLOKOSA-N	2	0	309.458	-1.014	20	0		DAADRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+]	ZINC000911032389	663135708	/nfs/dbraw/zinc/13/57/08/663135708.db2.gz	UFBIFSXAVFARIA-XJKCOSOUSA-N	2	0	323.441	-1.312	20	0		DAADRP
[NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1	ZINC000911071922	663136309	/nfs/dbraw/zinc/13/63/09/663136309.db2.gz	DLXWJZYSAUKNCQ-ABAIWWIYSA-N	2	0	310.398	-1.349	20	0		DAADRP
C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1	ZINC000911073337	663136484	/nfs/dbraw/zinc/13/64/84/663136484.db2.gz	RZPREULUZOJOLD-RISCZKNCSA-N	2	0	300.403	-1.245	20	0		DAADRP
COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)CC[NH+](C)C	ZINC000911073871	663136733	/nfs/dbraw/zinc/13/67/33/663136733.db2.gz	XBICDFZDWFFPKM-NWDGAFQWSA-N	2	0	300.403	-1.110	20	0		DAADRP
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1	ZINC000911148681	663137276	/nfs/dbraw/zinc/13/72/76/663137276.db2.gz	ZSIBYFUOAUOQIB-PVXIVEMSSA-N	2	0	324.425	-1.103	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@H]1[NH3+]	ZINC000911147005	663137333	/nfs/dbraw/zinc/13/73/33/663137333.db2.gz	DQNWNVKABWAZLI-FDYHWXHSSA-N	2	0	310.398	-1.229	20	0		DAADRP
O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2	ZINC000911147812	663137346	/nfs/dbraw/zinc/13/73/46/663137346.db2.gz	JQZFDONIBOBSID-ODXJTPSBSA-N	2	0	322.409	-1.025	20	0		DAADRP
[NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1	ZINC000911148937	663137639	/nfs/dbraw/zinc/13/76/39/663137639.db2.gz	SYSUEHMUCAEKTH-YNEHKIRRSA-N	2	0	310.398	-1.085	20	0		DAADRP
C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000911147444	663137782	/nfs/dbraw/zinc/13/77/82/663137782.db2.gz	HTJAZGNVYIGXSZ-FDYHWXHSSA-N	2	0	310.398	-1.310	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@H]1[NH3+]	ZINC000911147010	663137832	/nfs/dbraw/zinc/13/78/32/663137832.db2.gz	DQNWNVKABWAZLI-MROQNXINSA-N	2	0	310.398	-1.229	20	0		DAADRP
COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1	ZINC000911157947	663138173	/nfs/dbraw/zinc/13/81/73/663138173.db2.gz	XERLGXDRJVAZQD-NEPJUHHUSA-N	2	0	300.403	-1.076	20	0		DAADRP
COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C	ZINC000911187268	663138563	/nfs/dbraw/zinc/13/85/63/663138563.db2.gz	NYNWXUHSDXOIEE-FRRDWIJNSA-N	2	0	312.414	-1.063	20	0		DAADRP
C[C@@H](CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[N@H+](C)C1CC1	ZINC000911206591	663139311	/nfs/dbraw/zinc/13/93/11/663139311.db2.gz	QPJZREFALSFKQV-XHDPSFHLSA-N	2	0	312.414	-1.103	20	0		DAADRP
COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1	ZINC000911239889	663139471	/nfs/dbraw/zinc/13/94/71/663139471.db2.gz	FKLBSGNDMGPNDT-NEPJUHHUSA-N	2	0	312.414	-1.063	20	0		DAADRP
COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1	ZINC000911239632	663139779	/nfs/dbraw/zinc/13/97/79/663139779.db2.gz	CZLFWYPXACGWSY-WUHRBBMRSA-N	2	0	310.398	-1.168	20	0		DAADRP
[NH3+][C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)C1CC1	ZINC000911273199	663140035	/nfs/dbraw/zinc/14/00/35/663140035.db2.gz	JFIRABHANKDHEM-MGPQQGTHSA-N	2	0	324.425	-1.103	20	0		DAADRP
COCC[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1	ZINC000911231233	663140154	/nfs/dbraw/zinc/14/01/54/663140154.db2.gz	KTHZNAWOPFYTJL-VXGBXAGGSA-N	2	0	300.403	-1.124	20	0		DAADRP
COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1	ZINC000911243735	663140181	/nfs/dbraw/zinc/14/01/81/663140181.db2.gz	ZDXAMEFINCHECA-MJBXVCDLSA-N	2	0	324.425	-1.109	20	0		DAADRP
[NH3+][C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)C1CC1	ZINC000911273197	663140349	/nfs/dbraw/zinc/14/03/49/663140349.db2.gz	JFIRABHANKDHEM-MCIONIFRSA-N	2	0	324.425	-1.103	20	0		DAADRP
O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000911275064	663140372	/nfs/dbraw/zinc/14/03/72/663140372.db2.gz	UJQODLIBDZVQBK-UPJWGTAASA-N	2	0	310.398	-1.478	20	0		DAADRP
C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000911298123	663140835	/nfs/dbraw/zinc/14/08/35/663140835.db2.gz	RNQCUGVHCYDTKP-AGIUHOORSA-N	2	0	312.414	-1.103	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)C[NH+](C)C	ZINC000911281242	663140863	/nfs/dbraw/zinc/14/08/63/663140863.db2.gz	DQQNIZVITHZJNH-VXGBXAGGSA-N	2	0	300.403	-1.063	20	0		DAADRP
COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCOCC[NH+](C)C	ZINC000911257088	663140878	/nfs/dbraw/zinc/14/08/78/663140878.db2.gz	DEKCIVKHJADWLR-LBPRGKRZSA-N	2	0	316.402	-1.872	20	0		DAADRP
C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000911298124	663140888	/nfs/dbraw/zinc/14/08/88/663140888.db2.gz	RNQCUGVHCYDTKP-FRRDWIJNSA-N	2	0	312.414	-1.103	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C	ZINC000911259346	663141023	/nfs/dbraw/zinc/14/10/23/663141023.db2.gz	YBFNJMOIFJHOKK-NSHDSACASA-N	2	0	300.403	-1.205	20	0		DAADRP
O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO	ZINC000911265224	663141138	/nfs/dbraw/zinc/14/11/38/663141138.db2.gz	BHWNAINIRKLAHA-MGPQQGTHSA-N	2	0	324.425	-1.088	20	0		DAADRP
C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000911292129	663141150	/nfs/dbraw/zinc/14/11/50/663141150.db2.gz	PAZTZDQYPJBBQO-JHJVBQTASA-N	2	0	312.414	-1.245	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000911256860	663141180	/nfs/dbraw/zinc/14/11/80/663141180.db2.gz	CBBMLZYKMKOAEK-UHFFFAOYSA-N	2	0	315.418	-2.298	20	0		DAADRP
C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000911292130	663141191	/nfs/dbraw/zinc/14/11/91/663141191.db2.gz	PAZTZDQYPJBBQO-UPJWGTAASA-N	2	0	312.414	-1.245	20	0		DAADRP
C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000911298126	663141222	/nfs/dbraw/zinc/14/12/22/663141222.db2.gz	RNQCUGVHCYDTKP-UPJWGTAASA-N	2	0	312.414	-1.103	20	0		DAADRP
COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	ZINC000911325760	663141527	/nfs/dbraw/zinc/14/15/27/663141527.db2.gz	WWKIRCCPCLJPBV-XQQFMLRXSA-N	2	0	312.414	-1.110	20	0		DAADRP
O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000911282228	663141683	/nfs/dbraw/zinc/14/16/83/663141683.db2.gz	OWBLWTUETGZHLH-IHRRRGAJSA-N	2	0	324.425	-1.088	20	0		DAADRP
O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO	ZINC000911282227	663141783	/nfs/dbraw/zinc/14/17/83/663141783.db2.gz	OWBLWTUETGZHLH-BFHYXJOUSA-N	2	0	324.425	-1.088	20	0		DAADRP
O=C(NCC[NH2+]C1CC1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000911282982	663141999	/nfs/dbraw/zinc/14/19/99/663141999.db2.gz	FPROWPDVGUUCPL-KGLIPLIRSA-N	2	0	324.425	-1.088	20	0		DAADRP
CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1	ZINC000911337782	663142207	/nfs/dbraw/zinc/14/22/07/663142207.db2.gz	WHHIQJKLUGQPPY-IUODEOHRSA-N	2	0	312.414	-1.101	20	0		DAADRP
C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)C[C@]2(C)C1	ZINC000911312436	663142220	/nfs/dbraw/zinc/14/22/20/663142220.db2.gz	XLVMKPKIBYOXOS-IOASZLSFSA-N	2	0	324.425	-1.109	20	0		DAADRP
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000911348731	663142235	/nfs/dbraw/zinc/14/22/35/663142235.db2.gz	REKAZMTVBQZBQU-CRWXNKLISA-N	2	0	324.425	-1.089	20	0		DAADRP
C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000911339350	663142311	/nfs/dbraw/zinc/14/23/11/663142311.db2.gz	VPCDOHWVSJPDMB-AVGNSLFASA-N	2	0	312.414	-1.232	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C[NH+](C)C	ZINC000911345956	663142957	/nfs/dbraw/zinc/14/29/57/663142957.db2.gz	LZPSHRQARDRWCO-VXGBXAGGSA-N	2	0	316.402	-1.826	20	0		DAADRP
C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000911339352	663142984	/nfs/dbraw/zinc/14/29/84/663142984.db2.gz	VPCDOHWVSJPDMB-XQQFMLRXSA-N	2	0	312.414	-1.232	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1	ZINC000911344905	663143085	/nfs/dbraw/zinc/14/30/85/663143085.db2.gz	FPAOSWCPUVLVQR-SWLSCSKDSA-N	2	0	312.414	-1.251	20	0		DAADRP
C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)C[C@]2(C)C1	ZINC000911345305	663143127	/nfs/dbraw/zinc/14/31/27/663143127.db2.gz	ICDKZOJMUAVPLC-JMSVASOKSA-N	2	0	310.398	-1.499	20	0		DAADRP
C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000911366817	663143331	/nfs/dbraw/zinc/14/33/31/663143331.db2.gz	JRAJYDQGGDVVOP-SYQHCUMBSA-N	2	0	324.425	-1.232	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)C[NH+](C)C	ZINC000911367504	663143642	/nfs/dbraw/zinc/14/36/42/663143642.db2.gz	QAMSKZIFUHWGFX-IJLUTSLNSA-N	2	0	300.403	-1.207	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)C[NH+](C)C	ZINC000911436766	663144563	/nfs/dbraw/zinc/14/45/63/663144563.db2.gz	VPMPISVBDKYZPE-RYUDHWBXSA-N	2	0	300.403	-1.124	20	0		DAADRP
CCO[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)C[NH+](C)C	ZINC000911435326	663144580	/nfs/dbraw/zinc/14/45/80/663144580.db2.gz	LPSFLMCWNGJVTD-NEPJUHHUSA-N	2	0	316.402	-1.745	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)C[NH+](C)C	ZINC000911433641	663144750	/nfs/dbraw/zinc/14/47/50/663144750.db2.gz	COWLTZGMDLSEQX-NWDGAFQWSA-N	2	0	300.403	-1.110	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)C[NH+](C)C	ZINC000911435340	663144772	/nfs/dbraw/zinc/14/47/72/663144772.db2.gz	LPSFLMCWNGJVTD-VXGBXAGGSA-N	2	0	316.402	-1.745	20	0		DAADRP
CCO[C@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)C[NH+](C)C	ZINC000911433603	663144775	/nfs/dbraw/zinc/14/47/75/663144775.db2.gz	BJTRXHQGDHQOLO-NWDGAFQWSA-N	2	0	300.403	-1.110	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CNOC1	ZINC000911471725	663146616	/nfs/dbraw/zinc/14/66/16/663146616.db2.gz	YDSLDOYKEAJURU-NSHDSACASA-N	2	0	301.391	-2.042	20	0		DAADRP
CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000911529666	663147353	/nfs/dbraw/zinc/14/73/53/663147353.db2.gz	WGRBZDXKVVPNDM-TUAOUCFPSA-N	2	0	310.398	-1.622	20	0		DAADRP
O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000911543043	663148122	/nfs/dbraw/zinc/14/81/22/663148122.db2.gz	SXEKRWKKSBLSAR-KIJLLGNVSA-N	2	0	308.382	-1.727	20	0		DAADRP
C[NH+](C)C[C@@H]1NC(=O)N(CCC[N@@H+]2CCC[C@H]2C(N)=O)C1=O	ZINC000925393188	663234620	/nfs/dbraw/zinc/23/46/20/663234620.db2.gz	NLRRRKHIPOTPOT-QWRGUYRKSA-N	2	0	311.386	-1.192	20	0		DAADRP
C[NH+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C	ZINC000913915905	663237953	/nfs/dbraw/zinc/23/79/53/663237953.db2.gz	SBLANKNWEMWLMS-JHJVBQTASA-N	2	0	312.414	-1.232	20	0		DAADRP
C[C@H](CNC(=O)C(=O)NC[C@H]1CCN1C)CN1CCOCC1	ZINC000929864116	663254416	/nfs/dbraw/zinc/25/44/16/663254416.db2.gz	UMFJSBNNXMXPHP-CHWSQXEVSA-N	2	0	312.414	-1.109	20	0		DAADRP
NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1	ZINC000996823017	663494019	/nfs/dbraw/zinc/49/40/19/663494019.db2.gz	SXEPUHLZTQWCPA-ULKWEWGCSA-N	2	0	322.409	-1.085	20	0		DAADRP
NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC000999765538	663563614	/nfs/dbraw/zinc/56/36/14/663563614.db2.gz	PAFCVKBOPNRTMO-WULFKBJJSA-N	2	0	322.409	-1.085	20	0		DAADRP
NC(=O)CN1CCC(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1	ZINC001002876239	663619647	/nfs/dbraw/zinc/61/96/47/663619647.db2.gz	TUUBOWGGIWLSFK-CHWSQXEVSA-N	2	0	310.398	-1.085	20	0		DAADRP
O[C@H]1C[NH+](Cc2ccccc2C[NH+]2C[C@H](O)[C@@H](O)C2)C[C@@H]1O	ZINC000625713154	663659099	/nfs/dbraw/zinc/65/90/99/663659099.db2.gz	OAKYOVSTIYZPRB-VGWMRTNUSA-N	2	0	308.378	-1.239	20	0		DAADRP
COCC[N@H+](C)C[C@H](O)CN1CCC[NH2+]C[C@H]1C(=O)OC	ZINC000923354388	663696493	/nfs/dbraw/zinc/69/64/93/663696493.db2.gz	TUZXIDKQWWLCDB-STQMWFEESA-N	2	0	303.403	-1.238	20	0		DAADRP
CN1CC(=O)N(CC[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)C1=O	ZINC000923333326	663696698	/nfs/dbraw/zinc/69/66/98/663696698.db2.gz	QRKJNFMIEPIQFC-LBPRGKRZSA-N	2	0	323.397	-1.223	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1	ZINC000946918725	663698755	/nfs/dbraw/zinc/69/87/55/663698755.db2.gz	PXYPOZOLUMZDQY-STQMWFEESA-N	2	0	324.425	-1.088	20	0		DAADRP
[NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1	ZINC000848637414	663892080	/nfs/dbraw/zinc/89/20/80/663892080.db2.gz	PTUCGCQCFOULDM-RWMBFGLXSA-N	2	0	310.398	-1.539	20	0		DAADRP
[NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000848616665	663892420	/nfs/dbraw/zinc/89/24/20/663892420.db2.gz	QMTWJYNQSXWVJJ-QWHCGFSZSA-N	2	0	312.414	-1.101	20	0		DAADRP
[NH3+]CC12CC(C1)CN2C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000851685810	663896399	/nfs/dbraw/zinc/89/63/99/663896399.db2.gz	WFHMPKAPXHIJLX-LGESCRJUSA-N	2	0	322.409	-1.085	20	0		DAADRP
[NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C1=NO[C@H](C[NH3+])C1	ZINC000852879528	663899211	/nfs/dbraw/zinc/89/92/11/663899211.db2.gz	WSMWGHQLMKEIPB-MNOVXSKESA-N	2	0	311.386	-1.064	20	0		DAADRP
Cn1nnnc1CC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000866661404	663932006	/nfs/dbraw/zinc/93/20/06/663932006.db2.gz	ITNUSZGMFIBONH-LBPRGKRZSA-N	2	0	307.402	-1.104	20	0		DAADRP
COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)N1CC[NH2+]CC1	ZINC000923604198	663932367	/nfs/dbraw/zinc/93/23/67/663932367.db2.gz	DAFKIRNYWZCULD-GFCCVEGCSA-N	2	0	306.432	-1.163	20	0		DAADRP
O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)C2C[NH2+]C2)CC1	ZINC000923604387	663932844	/nfs/dbraw/zinc/93/28/44/663932844.db2.gz	GIMIKORJTWHZJY-UHFFFAOYSA-N	2	0	316.427	-1.472	20	0		DAADRP
CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)[C@@H](C[NH3+])C1	ZINC000868385675	663933853	/nfs/dbraw/zinc/93/38/53/663933853.db2.gz	WRIBAGSXLFVMRI-MELADBBJSA-N	2	0	323.441	-1.360	20	0		DAADRP
O=C(C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000868419063	663934093	/nfs/dbraw/zinc/93/40/93/663934093.db2.gz	UJKSOSVKVFCCNB-REWJHTLYSA-N	2	0	322.409	-1.383	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC[C@H]21	ZINC000868387366	663934362	/nfs/dbraw/zinc/93/43/62/663934362.db2.gz	BORWFQRWJZOABY-FRRDWIJNSA-N	2	0	310.398	-1.275	20	0		DAADRP
C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)C3C[NH2+]C3)CC2)C1	ZINC000923614230	663935541	/nfs/dbraw/zinc/93/55/41/663935541.db2.gz	PCCZNACXJBNDIS-GFCCVEGCSA-N	2	0	302.444	-1.000	20	0		DAADRP
C[NH+](C)C[C@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000876841321	663948591	/nfs/dbraw/zinc/94/85/91/663948591.db2.gz	OVZZTCZEBGGQDA-UWVGGRQHSA-N	2	0	311.352	-1.172	20	0		DAADRP
COC[C@]1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C[NH2+]CCO1	ZINC000876849008	663948723	/nfs/dbraw/zinc/94/87/23/663948723.db2.gz	WIBSQWIQWRNGEA-ZFWWWQNUSA-N	2	0	312.414	-1.503	20	0		DAADRP
C[NH+](C)C[C@H](N)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	ZINC000876997012	663949102	/nfs/dbraw/zinc/94/91/02/663949102.db2.gz	KVQJALYNYXUZKC-LBPRGKRZSA-N	2	0	312.418	-1.955	20	0		DAADRP
COC[C@@]1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C[NH2+]CCO1	ZINC000876971887	663949420	/nfs/dbraw/zinc/94/94/20/663949420.db2.gz	FMESZWCBMKSWEE-UKRRQHHQSA-N	2	0	312.414	-1.503	20	0		DAADRP
COC[C@@]1(C(=O)NCCN(C)CCC[NH+](C)C)C[NH2+]CCO1	ZINC000876961730	663949561	/nfs/dbraw/zinc/94/95/61/663949561.db2.gz	WKZSDRWHCFZVJN-OAHLLOKOSA-N	2	0	316.446	-1.009	20	0		DAADRP
COCCC1(NS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]CC1	ZINC000923670599	663951603	/nfs/dbraw/zinc/95/16/03/663951603.db2.gz	AOMPWFOLPISIAU-UHFFFAOYSA-N	2	0	306.432	-1.115	20	0		DAADRP
CCO[C@@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)C[NH+](C)C	ZINC000923676474	663951838	/nfs/dbraw/zinc/95/18/38/663951838.db2.gz	PPNLODPXLIVFRZ-NWDGAFQWSA-N	2	0	309.432	-1.139	20	0		DAADRP
O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2	ZINC000884560357	663964648	/nfs/dbraw/zinc/96/46/48/663964648.db2.gz	VOTVVUSGUCXIBE-ZDEQEGDKSA-N	2	0	308.382	-1.462	20	0		DAADRP
[NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000884560240	663964841	/nfs/dbraw/zinc/96/48/41/663964841.db2.gz	RLRTZOUCWCMZRV-JHJVBQTASA-N	2	0	310.398	-1.085	20	0		DAADRP
[NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000884560238	663965033	/nfs/dbraw/zinc/96/50/33/663965033.db2.gz	RLRTZOUCWCMZRV-AGIUHOORSA-N	2	0	310.398	-1.085	20	0		DAADRP
COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1	ZINC000884642915	663965655	/nfs/dbraw/zinc/96/56/55/663965655.db2.gz	SOWDPHZJFJTRGY-FRRDWIJNSA-N	2	0	310.398	-1.214	20	0		DAADRP
C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1	ZINC000884661976	663965867	/nfs/dbraw/zinc/96/58/67/663965867.db2.gz	DZDMLSUOWIKYBQ-SWLSCSKDSA-N	2	0	312.414	-1.251	20	0		DAADRP
C[C@@H](C[NH3+])NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000884704518	663966258	/nfs/dbraw/zinc/96/62/58/663966258.db2.gz	JMQHGGFCSLLTFR-YNEHKIRRSA-N	3	0	313.446	-1.352	20	0		DAADRP
C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1	ZINC000884812750	663967731	/nfs/dbraw/zinc/96/77/31/663967731.db2.gz	ZIXXPUZPZCGXQQ-CHWSQXEVSA-N	2	0	312.414	-1.109	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)CC[C@H]21	ZINC000884816197	663967762	/nfs/dbraw/zinc/96/77/62/663967762.db2.gz	WEYPVGBONSDKII-FRRDWIJNSA-N	2	0	310.398	-1.356	20	0		DAADRP
[NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1	ZINC000884909171	663967921	/nfs/dbraw/zinc/96/79/21/663967921.db2.gz	RWTPVWBCIUXRLZ-XDQVBPFNSA-N	2	0	324.425	-1.103	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)CC[C@H]21	ZINC000884816199	663967939	/nfs/dbraw/zinc/96/79/39/663967939.db2.gz	WEYPVGBONSDKII-JHJVBQTASA-N	2	0	310.398	-1.356	20	0		DAADRP
CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1	ZINC000926294412	663981455	/nfs/dbraw/zinc/98/14/55/663981455.db2.gz	DCLVSYOKPKBWEJ-AWEZNQCLSA-N	2	0	300.403	-1.291	20	0		DAADRP
[NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1	ZINC000926336645	663982145	/nfs/dbraw/zinc/98/21/45/663982145.db2.gz	ZBAGJSKSKKDDTK-WFASDCNBSA-N	2	0	310.398	-1.395	20	0		DAADRP
C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CCO1	ZINC000926335847	663982170	/nfs/dbraw/zinc/98/21/70/663982170.db2.gz	VFEHUCAYMIHIJO-CHWSQXEVSA-N	2	0	312.414	-1.027	20	0		DAADRP
CN(C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000926330984	663982827	/nfs/dbraw/zinc/98/28/27/663982827.db2.gz	CZBXYGLWHMZQKG-XJKSGUPXSA-N	2	0	324.425	-1.006	20	0		DAADRP
CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1	ZINC000926382269	663983212	/nfs/dbraw/zinc/98/32/12/663983212.db2.gz	IVKCKOCHUXHUIY-IUODEOHRSA-N	2	0	312.414	-1.149	20	0		DAADRP
CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1	ZINC000926358581	663983245	/nfs/dbraw/zinc/98/32/45/663983245.db2.gz	BCALFPQYCUINGC-OAHLLOKOSA-N	2	0	312.414	-1.149	20	0		DAADRP
CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000926383370	663983352	/nfs/dbraw/zinc/98/33/52/663983352.db2.gz	STNNPMUXYSKIEO-ZDUSSCGKSA-N	2	0	311.430	-1.440	20	0		DAADRP
C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1C[NH3+]	ZINC000926385918	663983574	/nfs/dbraw/zinc/98/35/74/663983574.db2.gz	AQQVHPKOSDPVMD-ZOBORPQBSA-N	2	0	324.425	-1.293	20	0		DAADRP
C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)C2)C1	ZINC000926411274	663983954	/nfs/dbraw/zinc/98/39/54/663983954.db2.gz	CWOOAZRFPOUWRC-CVEARBPZSA-N	2	0	324.425	-1.147	20	0		DAADRP
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)CC[C@@H]21	ZINC000926396549	663984632	/nfs/dbraw/zinc/98/46/32/663984632.db2.gz	MHNWWELLPFVLBC-WWGRRREGSA-N	2	0	324.425	-1.149	20	0		DAADRP
[NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1	ZINC000926413703	663984730	/nfs/dbraw/zinc/98/47/30/663984730.db2.gz	QNGJMGPIJVVYML-XJKSGUPXSA-N	2	0	322.409	-1.229	20	0		DAADRP
C[C@H](CNC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1)N1C[C@@H]2C[NH2+]C[C@H]2C1	ZINC000929313394	663987710	/nfs/dbraw/zinc/98/77/10/663987710.db2.gz	WXGNBBLNAAMDJD-OWYFMNJBSA-N	2	0	321.469	-1.207	20	0		DAADRP
C[C@H](CNC(=O)CN1C[C@@H]2C[NH2+]C[C@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000929313391	663988245	/nfs/dbraw/zinc/98/82/45/663988245.db2.gz	WXGNBBLNAAMDJD-CWVYHPPDSA-N	2	0	321.469	-1.207	20	0		DAADRP
O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@H]1C[NH+]2CC3CC2(C3)CO1	ZINC000961286844	664336655	/nfs/dbraw/zinc/33/66/55/664336655.db2.gz	ZKJXZIBCKVXQBE-CCTQGRIMSA-N	2	0	307.394	-1.112	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)C1	ZINC001016250813	664572796	/nfs/dbraw/zinc/57/27/96/664572796.db2.gz	QXESPRPRPQHYHN-RYUDHWBXSA-N	2	0	323.397	-1.320	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1	ZINC001018630927	664588316	/nfs/dbraw/zinc/58/83/16/664588316.db2.gz	BPIPXDXNGMIYAV-NWDGAFQWSA-N	2	0	323.397	-1.177	20	0		DAADRP
C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[N@@H+]3C[C@H](O)C[C@H]3C1)C2	ZINC000872194884	678139893	/nfs/dbraw/zinc/13/98/93/678139893.db2.gz	GYNFTSXVSAYJIF-BCUIYNNISA-N	2	0	322.409	-1.668	20	0		DAADRP
C[NH+](C)CCC(=O)N(CCO)CCNC(=O)Cn1ccnc1	ZINC001058709065	677686963	/nfs/dbraw/zinc/68/69/63/677686963.db2.gz	GKJMJKVKTMBIFM-UHFFFAOYSA-N	2	0	311.386	-1.228	20	0		DAADRP
C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001058707838	677686974	/nfs/dbraw/zinc/68/69/74/677686974.db2.gz	PWUXFSOPNMPICR-CYBMUJFWSA-N	2	0	314.430	-1.031	20	0		DAADRP
C[NH+](C)CCC(=O)NCCN(CCO)C(=O)CC[NH+](C)C	ZINC001058710629	677687060	/nfs/dbraw/zinc/68/70/60/677687060.db2.gz	ILRZQQQFRBCOND-UHFFFAOYSA-N	2	0	302.419	-1.173	20	0		DAADRP
CCCC[N@H+](C)CCNC(=O)C(=O)N1CCNCC[NH2+]CC1	ZINC000911137293	677815520	/nfs/dbraw/zinc/81/55/20/677815520.db2.gz	CMQUXEZNJZCQKW-UHFFFAOYSA-N	2	0	313.446	-1.144	20	0		DAADRP
C[NH+]1CCC(CC(=O)N[C@@H]2CN([C@@H]3CCNC3=O)C[C@H]2O)CC1	ZINC001077778652	677880609	/nfs/dbraw/zinc/88/06/09/677880609.db2.gz	VIMVXZJLGKQKGG-MGPQQGTHSA-N	2	0	324.425	-1.232	20	0		DAADRP
C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001074755609	678203956	/nfs/dbraw/zinc/20/39/56/678203956.db2.gz	NQFQDXQREJTLGX-IJEQHQFKSA-N	2	0	322.409	-1.086	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1	ZINC001042103138	678315092	/nfs/dbraw/zinc/31/50/92/678315092.db2.gz	BRJDPKJTSCPGDS-ZDUSSCGKSA-N	2	0	324.425	-1.134	20	0		DAADRP
C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1	ZINC001042103484	678315168	/nfs/dbraw/zinc/31/51/68/678315168.db2.gz	GAYUAGBMJWKHNZ-GFCCVEGCSA-N	2	0	312.414	-1.278	20	0		DAADRP
C[NH+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1	ZINC001043118864	678366631	/nfs/dbraw/zinc/36/66/31/678366631.db2.gz	NBNMMIFHMYDLJI-CHWSQXEVSA-N	2	0	324.425	-1.421	20	0		DAADRP
C[NH+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1	ZINC001043118866	678366727	/nfs/dbraw/zinc/36/67/27/678366727.db2.gz	NBNMMIFHMYDLJI-QWHCGFSZSA-N	2	0	324.425	-1.421	20	0		DAADRP
CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1	ZINC001044298909	678419600	/nfs/dbraw/zinc/41/96/00/678419600.db2.gz	ROGRPCITJPUQFA-UHFFFAOYSA-N	2	0	314.430	-1.031	20	0		DAADRP
CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1	ZINC001046525939	678484388	/nfs/dbraw/zinc/48/43/88/678484388.db2.gz	XFNHQYILVUWRTP-UHFFFAOYSA-N	2	0	314.430	-1.031	20	0		DAADRP
NC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1	ZINC001048833454	678562471	/nfs/dbraw/zinc/56/24/71/678562471.db2.gz	ODGDADKOJXRSCC-RFQIPJPRSA-N	2	0	322.409	-1.275	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1	ZINC001049215626	678578272	/nfs/dbraw/zinc/57/82/72/678578272.db2.gz	GRMPQBONULPPFL-MCIONIFRSA-N	2	0	324.425	-1.170	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2n2ccnn2)C1	ZINC001070097450	678854510	/nfs/dbraw/zinc/85/45/10/678854510.db2.gz	SKMGYUGZENPTBH-MJBXVCDLSA-N	2	0	322.413	-1.046	20	0		DAADRP
COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1	ZINC000390742999	678859938	/nfs/dbraw/zinc/85/99/38/678859938.db2.gz	SKENVBVSEAXIRW-UONOGXRCSA-N	2	0	316.446	-1.288	20	0		DAADRP
NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1	ZINC001201870925	782223816	/nfs/dbraw/zinc/22/38/16/782223816.db2.gz	DUJBEIAHHYOLMS-GFCCVEGCSA-N	2	0	310.398	-1.225	20	0		DAADRP
C[NH+](C)CCOCC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1	ZINC001201864690	782222564	/nfs/dbraw/zinc/22/25/64/782222564.db2.gz	ZKINCGNBHUFXGZ-LBPRGKRZSA-N	2	0	316.402	-1.743	20	0		DAADRP
CC(=O)NCC[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2	ZINC001273999434	782257948	/nfs/dbraw/zinc/25/79/48/782257948.db2.gz	KIWZJNXCNJJCOO-OAHLLOKOSA-N	2	0	312.414	-1.013	20	0		DAADRP
C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](C[C@H](O)CO)C2)C1=O	ZINC001274565749	782283390	/nfs/dbraw/zinc/28/33/90/782283390.db2.gz	UDVFNDYXDFFIAL-SWLSCSKDSA-N	2	0	313.398	-1.258	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21	ZINC001114778308	782378051	/nfs/dbraw/zinc/37/80/51/782378051.db2.gz	IKSJWNARKHNREF-DEKYYXRVSA-N	2	0	308.382	-1.210	20	0		DAADRP
CNC(=O)C[N@H+](CCO)C1CCN(C(=O)Cc2cnc[nH]2)CC1	ZINC001098488037	782442529	/nfs/dbraw/zinc/44/25/29/782442529.db2.gz	BQWVUWYCPMYKSY-UHFFFAOYSA-N	2	0	323.397	-1.017	20	0		DAADRP
COCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1	ZINC001100074413	782544213	/nfs/dbraw/zinc/54/42/13/782544213.db2.gz	NDEFUIOLXJOUNM-QWHCGFSZSA-N	2	0	303.403	-1.238	20	0		DAADRP
COCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1	ZINC001100074414	782544445	/nfs/dbraw/zinc/54/44/45/782544445.db2.gz	NDEFUIOLXJOUNM-STQMWFEESA-N	2	0	303.403	-1.238	20	0		DAADRP
C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O	ZINC001100073417	782546933	/nfs/dbraw/zinc/54/69/33/782546933.db2.gz	CPJYQJHWXVIOLD-OLZOCXBDSA-N	2	0	303.403	-1.502	20	0		DAADRP
COCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1	ZINC001100074412	782546836	/nfs/dbraw/zinc/54/68/36/782546836.db2.gz	NDEFUIOLXJOUNM-OLZOCXBDSA-N	2	0	303.403	-1.238	20	0		DAADRP
COCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1	ZINC001100074411	782547179	/nfs/dbraw/zinc/54/71/79/782547179.db2.gz	NDEFUIOLXJOUNM-CHWSQXEVSA-N	2	0	303.403	-1.238	20	0		DAADRP
C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O	ZINC001100073419	782547978	/nfs/dbraw/zinc/54/79/78/782547978.db2.gz	CPJYQJHWXVIOLD-QWHCGFSZSA-N	2	0	303.403	-1.502	20	0		DAADRP
COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C	ZINC001115125863	782643926	/nfs/dbraw/zinc/64/39/26/782643926.db2.gz	DBDKWRGMPJZVRB-RMRHIDDWSA-N	2	0	315.414	-1.382	20	0		DAADRP
CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C	ZINC001115126185	782644030	/nfs/dbraw/zinc/64/40/30/782644030.db2.gz	JPIUDYZREQONSY-CZXHOFHRSA-N	2	0	312.414	-1.125	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1	ZINC001118089332	782703000	/nfs/dbraw/zinc/70/30/00/782703000.db2.gz	UWZQJCJHUKUXEQ-LBPRGKRZSA-N	2	0	308.448	-1.876	20	0		DAADRP
COCC[NH2+]CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	ZINC001118388441	782718423	/nfs/dbraw/zinc/71/84/23/782718423.db2.gz	AHWUXNNHPIPVHI-TXEJJXNPSA-N	2	0	300.403	-1.205	20	0		DAADRP
CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1	ZINC001118487333	782721822	/nfs/dbraw/zinc/72/18/22/782721822.db2.gz	UHVAZIAKZPYKCG-ZDUSSCGKSA-N	2	0	311.430	-1.392	20	0		DAADRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1	ZINC001119427322	782752608	/nfs/dbraw/zinc/75/26/08/782752608.db2.gz	LOZCTENRAKSEBN-JOCQHMNTSA-N	2	0	313.446	-1.208	20	0		DAADRP
CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C	ZINC001267374937	775232319	/nfs/dbraw/zinc/23/23/19/775232319.db2.gz	QJMPEEYDXAOYGN-WDEREUQCSA-N	2	0	313.402	-1.040	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCC1CC([NH2+][C@@H]2CCNC2=O)C1	ZINC001100870916	775336930	/nfs/dbraw/zinc/33/69/30/775336930.db2.gz	RNSIMLQXJLQSQI-WXRRBKDZSA-N	2	0	312.414	-1.063	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCNS(C)(=O)=O	ZINC001268315514	775366284	/nfs/dbraw/zinc/36/62/84/775366284.db2.gz	BZMWWHBICWOHKA-GHMZBOCLSA-N	2	0	322.431	-2.304	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O	ZINC001268316369	775366446	/nfs/dbraw/zinc/36/64/46/775366446.db2.gz	KSTVBOLEZJHZJK-WDEREUQCSA-N	2	0	307.416	-1.808	20	0		DAADRP
[NH3+]C[C@@]1(F)CCN(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)C1	ZINC001161240081	775384849	/nfs/dbraw/zinc/38/48/49/775384849.db2.gz	VXKLVEBVWYJGQQ-ONGXEEELSA-N	2	0	305.375	-1.338	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001268576338	775401020	/nfs/dbraw/zinc/40/10/20/775401020.db2.gz	UUXDZUWGWMRUFC-PGLGOXFNSA-N	2	0	311.386	-1.202	20	0		DAADRP
C[NH+](C)CC1(C(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O)CC1	ZINC001268584745	775402476	/nfs/dbraw/zinc/40/24/76/775402476.db2.gz	ZOAAWOIJEBHKPU-ONEGZZNKSA-N	2	0	311.386	-1.215	20	0		DAADRP
C[C@@H]([NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O	ZINC001268626228	775408637	/nfs/dbraw/zinc/40/86/37/775408637.db2.gz	ZQMDUDYMEAEBNA-KXMPLOMGSA-N	2	0	311.386	-1.072	20	0		DAADRP
CN(CC(=O)N1CC[N@H+](C)C[C@@]2(CCCC(=O)N2)C1)C(N)=[NH2+]	ZINC001268996486	775433627	/nfs/dbraw/zinc/43/36/27/775433627.db2.gz	LWUWQBKISBVMMG-AWEZNQCLSA-N	2	0	310.402	-1.375	20	0		DAADRP
CN(CC(=O)N1CC[N@H+](C)C[C@]2(CCCC(=O)N2)C1)C(N)=[NH2+]	ZINC001268996489	775434154	/nfs/dbraw/zinc/43/41/54/775434154.db2.gz	LWUWQBKISBVMMG-CQSZACIVSA-N	2	0	310.402	-1.375	20	0		DAADRP
C[C@@H](C(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C)[NH+](C)C	ZINC001269796715	775477828	/nfs/dbraw/zinc/47/78/28/775477828.db2.gz	JSRSHMZYTAZLKK-LBPRGKRZSA-N	2	0	312.414	-1.062	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001100981037	775646152	/nfs/dbraw/zinc/64/61/52/775646152.db2.gz	RVNFXEPHJYNCET-YVNMAJEFSA-N	2	0	311.386	-1.383	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCN1CCCC1=O	ZINC001272495623	775764745	/nfs/dbraw/zinc/76/47/45/775764745.db2.gz	GHYAVSNYHHUKDT-CHWSQXEVSA-N	2	0	312.414	-1.230	20	0		DAADRP
CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001127481618	775807042	/nfs/dbraw/zinc/80/70/42/775807042.db2.gz	VGWHTZSURWVTJE-GFCCVEGCSA-N	2	0	318.443	-1.417	20	0		DAADRP
O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001127479719	775807606	/nfs/dbraw/zinc/80/76/06/775807606.db2.gz	GVXPRLXGNHWNHV-NEPJUHHUSA-N	2	0	308.382	-1.161	20	0		DAADRP
CC1(C)[NH2+]C[C@@H](CN(CCC[NH3+])CC(=O)NCCC[NH3+])O1	ZINC001236307286	775811487	/nfs/dbraw/zinc/81/14/87/775811487.db2.gz	AGGNWRAKXYQAAV-LBPRGKRZSA-N	3	0	301.435	-1.173	20	0		DAADRP
C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1	ZINC001124873234	775831531	/nfs/dbraw/zinc/83/15/31/775831531.db2.gz	UGEHHCBFZNQZOD-NSHDSACASA-N	2	0	311.386	-2.255	20	0		DAADRP
CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C	ZINC001124879785	775832867	/nfs/dbraw/zinc/83/28/67/775832867.db2.gz	ZPJOCKVXIRFFEG-ZDUSSCGKSA-N	2	0	300.403	-1.061	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C	ZINC001124879477	775833478	/nfs/dbraw/zinc/83/34/78/775833478.db2.gz	URVQIWZXARSNCX-LLVKDONJSA-N	2	0	306.432	-1.274	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C	ZINC001124879478	775833814	/nfs/dbraw/zinc/83/38/14/775833814.db2.gz	URVQIWZXARSNCX-NSHDSACASA-N	2	0	306.432	-1.274	20	0		DAADRP
O=S(=O)(N[C@H]1CCS(=O)(=O)C12C[NH2+]C2)[C@H]1CC[NH2+]C1	ZINC001238245000	775839342	/nfs/dbraw/zinc/83/93/42/775839342.db2.gz	ZEDXOCFXKLUTAV-IUCAKERBSA-N	2	0	309.413	-2.203	20	0		DAADRP
COC(=O)[C@H](NS(=O)(=O)[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1	ZINC001238705884	775854348	/nfs/dbraw/zinc/85/43/48/775854348.db2.gz	DQXWYZNRMNPUJL-WDEREUQCSA-N	2	0	305.400	-1.191	20	0		DAADRP
O=C(NCC[NH2+]CCOCCO)[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001127778871	775863508	/nfs/dbraw/zinc/86/35/08/775863508.db2.gz	HHVJXGXAKZNQOQ-QWHCGFSZSA-N	2	0	301.387	-1.436	20	0		DAADRP
Cn1nncc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001127780217	775864193	/nfs/dbraw/zinc/86/41/93/775864193.db2.gz	XDYHPNXFDUBYFY-DGCLKSJQSA-N	2	0	308.386	-1.116	20	0		DAADRP
CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CC(=O)NC(N)=O	ZINC001128533252	775983146	/nfs/dbraw/zinc/98/31/46/775983146.db2.gz	JYHQLFLRJASSMB-VIFPVBQESA-N	2	0	305.354	-1.433	20	0		DAADRP
CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O	ZINC001128552130	775984539	/nfs/dbraw/zinc/98/45/39/775984539.db2.gz	KPHLGFOJJLTLJL-NXEZZACHSA-N	2	0	319.381	-1.045	20	0		DAADRP
C[NH+](C)CCn1cc(C(=O)N[C@@H]2CN(CCO)C[C@@H]2O)cn1	ZINC001083851321	775989509	/nfs/dbraw/zinc/98/95/09/775989509.db2.gz	ZHRZGPMGZJWXCQ-OLZOCXBDSA-N	2	0	311.386	-1.788	20	0		DAADRP
CC[NH+](CC)CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC	ZINC001168755036	776038182	/nfs/dbraw/zinc/03/81/82/776038182.db2.gz	FLTKVDXJSILZKK-UHFFFAOYSA-N	2	0	301.391	-1.120	20	0		DAADRP
CN(c1cnc(O[C@@H]2CC[NH2+]C2)nc1)S(=O)(=O)CC[NH3+]	ZINC001164296661	776117113	/nfs/dbraw/zinc/11/71/13/776117113.db2.gz	KAPFIBJGHGAKEB-SNVBAGLBSA-N	2	0	301.372	-1.058	20	0		DAADRP
CNC(=O)CN1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1	ZINC001099969125	776207214	/nfs/dbraw/zinc/20/72/14/776207214.db2.gz	GOUMIJSKHOMCJG-NEPJUHHUSA-N	2	0	300.403	-1.374	20	0		DAADRP
CNC(=O)CN1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1	ZINC001099969128	776208121	/nfs/dbraw/zinc/20/81/21/776208121.db2.gz	GOUMIJSKHOMCJG-VXGBXAGGSA-N	2	0	300.403	-1.374	20	0		DAADRP
NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1	ZINC001086091895	776240296	/nfs/dbraw/zinc/24/02/96/776240296.db2.gz	RNWMVADBWKKROY-YVECIDJPSA-N	2	0	310.398	-1.181	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCOCCO)C[C@H]1O	ZINC001100084147	776262038	/nfs/dbraw/zinc/26/20/38/776262038.db2.gz	XWVSMLBIFUTYCQ-ZIAGYGMSSA-N	2	0	317.430	-1.112	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CN(C)CCO1	ZINC001156146333	776273959	/nfs/dbraw/zinc/27/39/59/776273959.db2.gz	WKDWCDMFWLNIAX-SNVBAGLBSA-N	2	0	315.374	-2.132	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])CCC(=O)OC	ZINC001157323512	776380028	/nfs/dbraw/zinc/38/00/28/776380028.db2.gz	STDFEOQKLSRGRQ-ZJUUUORDSA-N	2	0	302.375	-1.373	20	0		DAADRP
C[NH+](C)CCC(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1	ZINC001098467862	776414514	/nfs/dbraw/zinc/41/45/14/776414514.db2.gz	ZJNNAFVXJSJGFU-UHFFFAOYSA-N	2	0	300.403	-1.291	20	0		DAADRP
CC[N@H+](C)CCC(=O)NCCC[NH2+]CCNS(C)(=O)=O	ZINC001170221483	776425340	/nfs/dbraw/zinc/42/53/40/776425340.db2.gz	BQXJYBDWZHBDRI-UHFFFAOYSA-N	2	0	308.448	-1.027	20	0		DAADRP
COC(=O)[C@]1(F)CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1	ZINC001157716511	776427507	/nfs/dbraw/zinc/42/75/07/776427507.db2.gz	OVTARFYYPSLEIW-RISCZKNCSA-N	2	0	316.377	-1.150	20	0		DAADRP
CC(=O)NCSC[C@H]([NH3+])C(=O)N(C)C[C@H]1C[NH2+]CCO1	ZINC001157716428	776427985	/nfs/dbraw/zinc/42/79/85/776427985.db2.gz	NHWIGHDFCHFBGT-MNOVXSKESA-N	2	0	304.416	-1.413	20	0		DAADRP
CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2	ZINC001157716991	776428228	/nfs/dbraw/zinc/42/82/28/776428228.db2.gz	VYWWJGHPNCGZIV-GHMZBOCLSA-N	2	0	317.411	-1.790	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C	ZINC001129443604	776471053	/nfs/dbraw/zinc/47/10/53/776471053.db2.gz	KZKLINGXHSNBFC-GFCCVEGCSA-N	2	0	320.459	-1.028	20	0		DAADRP
C[NH+](C)[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1CC1	ZINC001129444088	776471471	/nfs/dbraw/zinc/47/14/71/776471471.db2.gz	PWFJGSFILFDKSS-LLVKDONJSA-N	2	0	306.432	-1.418	20	0		DAADRP
C[N@H+](CC(=O)NCC[NH2+]CCNS(C)(=O)=O)C1CCC1	ZINC001129535473	776474311	/nfs/dbraw/zinc/47/43/11/776474311.db2.gz	SZDVIIQMQLRRMK-UHFFFAOYSA-N	2	0	306.432	-1.274	20	0		DAADRP
CC(C)[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)[NH+](C)C	ZINC001129950283	776486175	/nfs/dbraw/zinc/48/61/75/776486175.db2.gz	QJWVRKQLSWJOQC-UWVGGRQHSA-N	2	0	301.391	-1.138	20	0		DAADRP
CC(C)[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)[NH+](C)C	ZINC001129950284	776486835	/nfs/dbraw/zinc/48/68/35/776486835.db2.gz	QJWVRKQLSWJOQC-ZJUUUORDSA-N	2	0	301.391	-1.138	20	0		DAADRP
C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1	ZINC001129985398	776488185	/nfs/dbraw/zinc/48/81/85/776488185.db2.gz	VVYVTDAEIIPEED-NEPJUHHUSA-N	2	0	323.401	-1.553	20	0		DAADRP
C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1	ZINC001129982281	776488434	/nfs/dbraw/zinc/48/84/34/776488434.db2.gz	CJMAETOQHKMVAQ-OLZOCXBDSA-N	2	0	310.402	-1.046	20	0		DAADRP
C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1	ZINC001129992173	776490033	/nfs/dbraw/zinc/49/00/33/776490033.db2.gz	ORJSNWDBYLNPIY-MNOVXSKESA-N	2	0	309.374	-1.943	20	0		DAADRP
CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)[NH+](C)C	ZINC001130200620	776497570	/nfs/dbraw/zinc/49/75/70/776497570.db2.gz	LSGZAWWPOCORST-NXEZZACHSA-N	2	0	301.391	-1.124	20	0		DAADRP
CC[C@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)[NH+](C)C	ZINC001130203117	776497998	/nfs/dbraw/zinc/49/79/98/776497998.db2.gz	FFLFGEWRXPFSOY-LLVKDONJSA-N	2	0	308.448	-1.076	20	0		DAADRP
CC(C)(C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@H]1CCNC1=O	ZINC001130230266	776499533	/nfs/dbraw/zinc/49/95/33/776499533.db2.gz	JBQUAUBPYCVUHL-LBPRGKRZSA-N	2	0	312.414	-1.061	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H](O)[C@@H](CO)C1	ZINC001157936537	776501270	/nfs/dbraw/zinc/50/12/70/776501270.db2.gz	HBRZINRVUAEINF-WXHSDQCUSA-N	2	0	300.403	-2.062	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCNCC(F)(F)C1	ZINC001157944676	776503337	/nfs/dbraw/zinc/50/33/37/776503337.db2.gz	JXQXMUQZROYNAY-NSHDSACASA-N	2	0	305.373	-1.196	20	0		DAADRP
CCOC(=O)C1(C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)C[NH2+]C1	ZINC001158102513	776532077	/nfs/dbraw/zinc/53/20/77/776532077.db2.gz	SYBHPYGFOUBVLI-ZDUSSCGKSA-N	2	0	310.354	-2.170	20	0		DAADRP
O=C([C@H]1C[NH2+]CCC1(F)F)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158100940	776532793	/nfs/dbraw/zinc/53/27/93/776532793.db2.gz	DCGOBGOKHJZICG-BXKDBHETSA-N	2	0	302.325	-1.078	20	0		DAADRP
CS(=O)(=O)NCC[NH2+]CCNC(=O)C12CCC[NH+]1CCC2	ZINC001130809871	776534739	/nfs/dbraw/zinc/53/47/39/776534739.db2.gz	KFVYSIMDMXQYFN-UHFFFAOYSA-N	2	0	318.443	-1.130	20	0		DAADRP
CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131521950	776572289	/nfs/dbraw/zinc/57/22/89/776572289.db2.gz	MVGFVRMJBANBEG-DILZAHMFSA-N	2	0	310.398	-1.310	20	0		DAADRP
O=C(NCC[NH2+][C@@H]1CCCNC1=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131520239	776574051	/nfs/dbraw/zinc/57/40/51/776574051.db2.gz	VQKGBMKFQKATSA-WULFKBJJSA-N	2	0	322.409	-1.166	20	0		DAADRP
CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131519485	776574193	/nfs/dbraw/zinc/57/41/93/776574193.db2.gz	GTAXUOXIWVAUFM-AVERBVTBSA-N	2	0	310.398	-1.309	20	0		DAADRP
CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131519440	776574425	/nfs/dbraw/zinc/57/44/25/776574425.db2.gz	FIGRBYLKMRUUBY-AVERBVTBSA-N	2	0	310.398	-1.356	20	0		DAADRP
CC[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C(N)=O	ZINC001131521572	776574898	/nfs/dbraw/zinc/57/48/98/776574898.db2.gz	BUWYRGCNWNCJMQ-OOLXCHQQSA-N	2	0	310.398	-1.181	20	0		DAADRP
CN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O	ZINC001131521532	776575229	/nfs/dbraw/zinc/57/52/29/776575229.db2.gz	ANKWMBQVYXAHCI-LGESCRJUSA-N	2	0	322.409	-1.214	20	0		DAADRP
NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1	ZINC001131790247	776587830	/nfs/dbraw/zinc/58/78/30/776587830.db2.gz	JMIFZCMZHFXPPH-GFCCVEGCSA-N	2	0	311.386	-1.239	20	0		DAADRP
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1	ZINC001100185687	776623149	/nfs/dbraw/zinc/62/31/49/776623149.db2.gz	KQUCPNHYIWSVFY-VQXHTEKXSA-N	2	0	311.386	-1.240	20	0		DAADRP
CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1	ZINC001132858609	776642163	/nfs/dbraw/zinc/64/21/63/776642163.db2.gz	BMEZAUHFIXYZQA-LBPRGKRZSA-N	2	0	300.403	-1.063	20	0		DAADRP
CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1	ZINC001132849051	776642757	/nfs/dbraw/zinc/64/27/57/776642757.db2.gz	ZYDSYAXGLWCDCZ-VXGBXAGGSA-N	2	0	300.403	-1.064	20	0		DAADRP
CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1	ZINC001132848276	776643100	/nfs/dbraw/zinc/64/31/00/776643100.db2.gz	CRRSSFFJDUAQOI-SNVBAGLBSA-N	2	0	315.374	-2.004	20	0		DAADRP
COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1	ZINC001132848844	776643550	/nfs/dbraw/zinc/64/35/50/776643550.db2.gz	TZGMJWQMDHWAGJ-QWHCGFSZSA-N	2	0	303.403	-1.191	20	0		DAADRP
CN(CC[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)S(C)(=O)=O	ZINC001132992891	776649365	/nfs/dbraw/zinc/64/93/65/776649365.db2.gz	IPANLPZIRSNWCE-UHFFFAOYSA-N	2	0	320.459	-1.075	20	0		DAADRP
C[NH+](C)CC1(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)CC1	ZINC001132992581	776649473	/nfs/dbraw/zinc/64/94/73/776649473.db2.gz	CQMFTPYRIBEPBU-UHFFFAOYSA-N	2	0	312.414	-1.107	20	0		DAADRP
C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1	ZINC001133290758	776663000	/nfs/dbraw/zinc/66/30/00/776663000.db2.gz	ATTUFVZPSFTWRA-GFCCVEGCSA-N	2	0	300.403	-1.203	20	0		DAADRP
C[NH+](C)CCC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O	ZINC001133291258	776663864	/nfs/dbraw/zinc/66/38/64/776663864.db2.gz	NEWKDMQHRUOEOD-LLVKDONJSA-N	2	0	314.386	-1.846	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCNC(=O)C1CC[NH+](C)CC1	ZINC001133281863	776663969	/nfs/dbraw/zinc/66/39/69/776663969.db2.gz	QEHBZTHVWFZBOR-UHFFFAOYSA-N	2	0	320.459	-1.027	20	0		DAADRP
C[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)CC1	ZINC001133285971	776664174	/nfs/dbraw/zinc/66/41/74/776664174.db2.gz	QNJQCMNFSADRNG-UHFFFAOYSA-N	2	0	312.414	-1.107	20	0		DAADRP
C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1	ZINC001133294622	776665548	/nfs/dbraw/zinc/66/55/48/776665548.db2.gz	NQCFZIMPNMXVCC-LBPRGKRZSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[NH+](C)CCC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O	ZINC001133298210	776665810	/nfs/dbraw/zinc/66/58/10/776665810.db2.gz	ZOBLOGAKWZBPEO-LBPRGKRZSA-N	2	0	300.403	-1.373	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001133850122	776680194	/nfs/dbraw/zinc/68/01/94/776680194.db2.gz	JIXIWWWABGPEOE-MNOVXSKESA-N	2	0	313.402	-1.122	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C	ZINC001133870626	776680700	/nfs/dbraw/zinc/68/07/00/776680700.db2.gz	UZERSURZBFOFCZ-GHMZBOCLSA-N	2	0	313.402	-1.264	20	0		DAADRP
C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O	ZINC001133871214	776680900	/nfs/dbraw/zinc/68/09/00/776680900.db2.gz	YQALWLFKYFHNBQ-NWDGAFQWSA-N	2	0	320.459	-1.219	20	0		DAADRP
C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1	ZINC001133845976	776681047	/nfs/dbraw/zinc/68/10/47/776681047.db2.gz	QYFZHULQPBFWNP-CYBMUJFWSA-N	2	0	312.414	-1.107	20	0		DAADRP
C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1	ZINC001133871252	776681384	/nfs/dbraw/zinc/68/13/84/776681384.db2.gz	ZTJDTCVENKAZMT-STQMWFEESA-N	2	0	312.414	-1.251	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C	ZINC001133870635	776681548	/nfs/dbraw/zinc/68/15/48/776681548.db2.gz	UZERSURZBFOFCZ-WDEREUQCSA-N	2	0	313.402	-1.264	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C	ZINC001133863783	776681602	/nfs/dbraw/zinc/68/16/02/776681602.db2.gz	PFCZPEYRELPTDW-VXGBXAGGSA-N	2	0	320.459	-1.171	20	0		DAADRP
C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1	ZINC001133871250	776681618	/nfs/dbraw/zinc/68/16/18/776681618.db2.gz	ZTJDTCVENKAZMT-OLZOCXBDSA-N	2	0	312.414	-1.251	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001133850121	776681696	/nfs/dbraw/zinc/68/16/96/776681696.db2.gz	JIXIWWWABGPEOE-GHMZBOCLSA-N	2	0	313.402	-1.122	20	0		DAADRP
CNC(=O)C[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1	ZINC001134021192	776687076	/nfs/dbraw/zinc/68/70/76/776687076.db2.gz	UPCGETQZYCLEBQ-LBPRGKRZSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[NH+](C)CCn1cc(C(=O)NCC[NH2+]CCOCCO)cn1	ZINC001135118719	776737707	/nfs/dbraw/zinc/73/77/07/776737707.db2.gz	QVJHXOYNDUMBDM-UHFFFAOYSA-N	2	0	313.402	-1.227	20	0		DAADRP
CC[NH+](CC)CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O	ZINC001135513815	776759202	/nfs/dbraw/zinc/75/92/02/776759202.db2.gz	ZWFQCJDPTKDXBN-UHFFFAOYSA-N	2	0	313.402	-1.024	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1	ZINC001135688101	776767717	/nfs/dbraw/zinc/76/77/17/776767717.db2.gz	BDPIJUFUQUTFLY-UHFFFAOYSA-N	2	0	313.402	-1.120	20	0		DAADRP
C[NH+]1CCC(OCC(=O)NCC[NH2+]CC(=O)NC(N)=O)CC1	ZINC001135958846	776776278	/nfs/dbraw/zinc/77/62/78/776776278.db2.gz	GQZAGWADDLKEGY-UHFFFAOYSA-N	2	0	315.374	-2.002	20	0		DAADRP
CC(C)(C)[NH2+]C[C@@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1	ZINC001246059051	776785374	/nfs/dbraw/zinc/78/53/74/776785374.db2.gz	YMAYPXWZDHJCPK-CQSZACIVSA-N	3	0	301.479	-1.180	20	0		DAADRP
O=S(=O)(CC[NH2+][C@@H]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCNCC1	ZINC001246104464	776787822	/nfs/dbraw/zinc/78/78/22/776787822.db2.gz	XRKBUUKPHOONFI-ITGUQSILSA-N	2	0	302.444	-1.191	20	0		DAADRP
O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O	ZINC001090818899	776857174	/nfs/dbraw/zinc/85/71/74/776857174.db2.gz	XLZMVTFLCVWQHW-UONOGXRCSA-N	2	0	322.413	-1.075	20	0		DAADRP
CN1CCO[C@@H](C(=O)NCCNC(=O)C23CC[NH+](CC2)C3)C1	ZINC001292606689	777937006	/nfs/dbraw/zinc/93/70/06/777937006.db2.gz	BFRSLOJHIGXJSN-GFCCVEGCSA-N	2	0	310.398	-1.355	20	0		DAADRP
[NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1	ZINC001120420643	779519665	/nfs/dbraw/zinc/51/96/65/779519665.db2.gz	MVWOZBRVBFNRSY-FDYHWXHSSA-N	2	0	310.398	-1.181	20	0		DAADRP
CCS(=O)(=O)NCCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1	ZINC001120487560	779523643	/nfs/dbraw/zinc/52/36/43/779523643.db2.gz	AMTISUXUYXYIMB-ZDUSSCGKSA-N	2	0	322.475	-1.486	20	0		DAADRP
O=C(C[NH2+]C1CC1)N1CCNCCN(C(=O)C[NH2+]C2CC2)CC1	ZINC001122183799	779557234	/nfs/dbraw/zinc/55/72/34/779557234.db2.gz	ZNSYNDHDTSBWAJ-UHFFFAOYSA-N	2	0	323.441	-1.249	20	0		DAADRP
CCOC(=O)CN(CC[NH3+])C(=O)CC[NH+]1CCN(C)CC1	ZINC001143238120	779627183	/nfs/dbraw/zinc/62/71/83/779627183.db2.gz	XJMCGSSLGPOPLR-UHFFFAOYSA-N	2	0	300.403	-1.026	20	0		DAADRP
C[NH+](C)CCOCC(=O)NC[C@H]1C[N@H+](CCO)CCCO1	ZINC001150587992	779663492	/nfs/dbraw/zinc/66/34/92/779663492.db2.gz	LHLXIJSVNXLBDI-ZDUSSCGKSA-N	2	0	303.403	-1.236	20	0		DAADRP
C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)C1	ZINC001151049640	779669166	/nfs/dbraw/zinc/66/91/66/779669166.db2.gz	VDVHZAKEIOVOBG-GFCCVEGCSA-N	2	0	318.443	-1.321	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCNC(=O)C[NH+]1CCCC1	ZINC001151101038	779670460	/nfs/dbraw/zinc/67/04/60/779670460.db2.gz	JIRCSJBNRVOYBW-UHFFFAOYSA-N	2	0	306.432	-1.273	20	0		DAADRP
Cn1c(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)cc(=O)n(C)c1=O	ZINC001151073107	779671640	/nfs/dbraw/zinc/67/16/40/779671640.db2.gz	GBSZHHVPZYCOII-NSHDSACASA-N	2	0	323.397	-1.759	20	0		DAADRP
CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001151064687	779671821	/nfs/dbraw/zinc/67/18/21/779671821.db2.gz	CZDPLANQOBDEEM-LLVKDONJSA-N	2	0	306.432	-1.417	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@H]1CCCNC1=O	ZINC001151157373	779672893	/nfs/dbraw/zinc/67/28/93/779672893.db2.gz	KQGBCIMICBEUJB-OLZOCXBDSA-N	2	0	312.414	-1.061	20	0		DAADRP
O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cncc(N3CC[NH2+]CC3)n2)N1	ZINC001155570413	779733310	/nfs/dbraw/zinc/73/33/10/779733310.db2.gz	MXBQVTWYOWQFPX-IINYFYTJSA-N	2	0	303.370	-1.124	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]([NH3+])CCC(N)=O	ZINC001157323768	779752139	/nfs/dbraw/zinc/75/21/39/779752139.db2.gz	NHKBETAALPWMBZ-UWVGGRQHSA-N	2	0	301.391	-1.671	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1	ZINC001157336311	779752607	/nfs/dbraw/zinc/75/26/07/779752607.db2.gz	MUIKVYLKTVERDM-QWRGUYRKSA-N	2	0	313.402	-1.786	20	0		DAADRP
N[C@@]1(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)CC[NH2+]C1	ZINC001157380181	779752907	/nfs/dbraw/zinc/75/29/07/779752907.db2.gz	YPBNEKVAXQRYHA-WFASDCNBSA-N	2	0	311.430	-1.087	20	0		DAADRP
[NH3+][C@H]1CN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C[C@H]1F	ZINC001157531242	779755643	/nfs/dbraw/zinc/75/56/43/779755643.db2.gz	OFJNLKVWTBXFRV-AEJSXWLSSA-N	2	0	309.349	-1.568	20	0		DAADRP
O=C([C@H]1CCCO1)N1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1	ZINC001157498240	779755677	/nfs/dbraw/zinc/75/56/77/779755677.db2.gz	YFNKVGLSVZUGKY-QWHCGFSZSA-N	2	0	322.409	-1.355	20	0		DAADRP
[NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1	ZINC001157531261	779756547	/nfs/dbraw/zinc/75/65/47/779756547.db2.gz	OYVPPGYJOGDLSE-VWYCJHECSA-N	2	0	324.360	-1.179	20	0		DAADRP
CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N(C)C[C@@H]1C[NH2+]CCO1	ZINC001157720455	779757127	/nfs/dbraw/zinc/75/71/27/779757127.db2.gz	JJALLNXBAILIHU-GVXVVHGQSA-N	2	0	300.403	-1.077	20	0		DAADRP
CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N(C)C[C@H]1C[NH2+]CCO1	ZINC001157720456	779757678	/nfs/dbraw/zinc/75/76/78/779757678.db2.gz	JJALLNXBAILIHU-LOWVWBTDSA-N	2	0	300.403	-1.077	20	0		DAADRP
COC(=O)[C@@]1(F)CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1	ZINC001157716509	779757769	/nfs/dbraw/zinc/75/77/69/779757769.db2.gz	OVTARFYYPSLEIW-BXUZGUMPSA-N	2	0	316.377	-1.150	20	0		DAADRP
C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)CN(CC[NH3+])S(C)(=O)=O	ZINC001157841529	779758647	/nfs/dbraw/zinc/75/86/47/779758647.db2.gz	GKZNBFDRSBLTPW-GHMZBOCLSA-N	2	0	306.432	-1.208	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC[C@](F)(C[NH3+])CC1	ZINC001157752945	779758792	/nfs/dbraw/zinc/75/87/92/779758792.db2.gz	BAWLRBOYRIIHMU-OUJBWJOFSA-N	2	0	304.366	-1.510	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC[C@@](F)(C[NH3+])CC1	ZINC001157752941	779759076	/nfs/dbraw/zinc/75/90/76/779759076.db2.gz	BAWLRBOYRIIHMU-KWBADKCTSA-N	2	0	304.366	-1.510	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H](CO)[C@H](O)C1	ZINC001157906018	779761697	/nfs/dbraw/zinc/76/16/97/779761697.db2.gz	YPOYNRRCFZPCFQ-KGYLQXTDSA-N	2	0	300.403	-2.062	20	0		DAADRP
CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H]([NH3+])CSCC[NH3+]	ZINC001158005631	779763875	/nfs/dbraw/zinc/76/38/75/779763875.db2.gz	AIGLHHMDITYOIC-UWVGGRQHSA-N	2	0	304.416	-1.631	20	0		DAADRP
O=C([C@@H]1NC(=O)CC12C[NH2+]C2)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158091820	779765733	/nfs/dbraw/zinc/76/57/33/779765733.db2.gz	IBQCACGUENPMDW-FZMZJTMJSA-N	2	0	307.354	-2.845	20	0		DAADRP
O=C([C@@H]1NC(=O)CC12C[NH2+]C2)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158091824	779765887	/nfs/dbraw/zinc/76/58/87/779765887.db2.gz	IBQCACGUENPMDW-SMDDNHRTSA-N	2	0	307.354	-2.845	20	0		DAADRP
O=C([C@@H]1CCSC12C[NH2+]C2)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158093492	779765953	/nfs/dbraw/zinc/76/59/53/779765953.db2.gz	VVRQWXPIVFIHLF-GXFFZTMASA-N	2	0	310.423	-1.228	20	0		DAADRP
O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158093920	779766065	/nfs/dbraw/zinc/76/60/65/779766065.db2.gz	YSAUCPCAAKDBCD-GWCFXTLKSA-N	2	0	309.370	-2.993	20	0		DAADRP
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158102459	779766922	/nfs/dbraw/zinc/76/69/22/779766922.db2.gz	SJMZMWKVSRGRFP-HFAKWTLXSA-N	2	0	324.381	-1.924	20	0		DAADRP
C[S@](=O)CC[C@H]([NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158103056	779766992	/nfs/dbraw/zinc/76/69/92/779766992.db2.gz	ZZIHTWXHEXGOAM-TVLKGPQESA-N	2	0	302.400	-2.227	20	0		DAADRP
O=C(N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)[C@@]12C[NH2+]C[C@H]1CCN2	ZINC001158109782	779767002	/nfs/dbraw/zinc/76/70/02/779767002.db2.gz	CHRJPKJESVKDQE-HFBAOOFYSA-N	2	0	319.409	-2.124	20	0		DAADRP
CN(CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)[C@H]1CCC[NH2+]C1	ZINC001158102669	779767059	/nfs/dbraw/zinc/76/70/59/779767059.db2.gz	VCTGFAKJQUJNJZ-SWLSCSKDSA-N	2	0	309.414	-1.639	20	0		DAADRP
[NH3+][C@H](C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)C1CCC(O)CC1	ZINC001158100716	779767165	/nfs/dbraw/zinc/76/71/65/779767165.db2.gz	AZTYLPSJSYYQNV-DIQYOTHFSA-N	2	0	310.398	-1.445	20	0		DAADRP
O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158111012	779767202	/nfs/dbraw/zinc/76/72/02/779767202.db2.gz	JDTZEMAPPXEZBI-BZNIZROVSA-N	3	0	319.409	-2.267	20	0		DAADRP
N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158102582	779767220	/nfs/dbraw/zinc/76/72/20/779767220.db2.gz	UJNZOZLGQRKQJI-IUODEOHRSA-N	2	0	324.429	-2.573	20	0		DAADRP
O=C(N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)[C@@]12C[NH2+]C[C@@H]1CCN2	ZINC001158109783	779767243	/nfs/dbraw/zinc/76/72/43/779767243.db2.gz	CHRJPKJESVKDQE-IUIKQTSFSA-N	2	0	319.409	-2.124	20	0		DAADRP
CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)C1	ZINC001158102724	779767477	/nfs/dbraw/zinc/76/74/77/779767477.db2.gz	WDGRSBJQQHFMGK-WBMJQRKESA-N	2	0	323.441	-1.251	20	0		DAADRP
O=C([C@@H]1C[NH2+]C[C@@H](O)C1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158110781	779767504	/nfs/dbraw/zinc/76/75/04/779767504.db2.gz	ISHXFTUKXTYHFO-ZIBATOQPSA-N	2	0	308.382	-2.105	20	0		DAADRP
CN1CC[NH2+]C[C@H]1C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158118831	779768051	/nfs/dbraw/zinc/76/80/51/779768051.db2.gz	DQHXXBUEYWAHNI-NHYWBVRUSA-N	2	0	307.398	-2.172	20	0		DAADRP
O=C(c1ncn2c1C[NH2+]CC2)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158111269	779768248	/nfs/dbraw/zinc/76/82/48/779768248.db2.gz	MPEQKEHVNRMSSY-AWEZNQCLSA-N	2	0	304.354	-1.710	20	0		DAADRP
O=C(C[C@H]1C[NH2+]CCO1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158118682	779768352	/nfs/dbraw/zinc/76/83/52/779768352.db2.gz	CNOBKKNACLAOIA-XHDPSFHLSA-N	2	0	308.382	-1.697	20	0		DAADRP
O=C(N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)[C@@]12CC[C@@H]1C[NH2+]C2	ZINC001158118787	779768486	/nfs/dbraw/zinc/76/84/86/779768486.db2.gz	DLTUFWNOSQYQKK-HFBAOOFYSA-N	2	0	304.394	-1.076	20	0		DAADRP
O=C(N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)[C@]12CC[C@@H]1C[NH2+]C2	ZINC001158118793	779768892	/nfs/dbraw/zinc/76/88/92/779768892.db2.gz	DLTUFWNOSQYQKK-XFBWCDHKSA-N	2	0	304.394	-1.076	20	0		DAADRP
C[C@]1(C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CC[NH2+]C[C@@H]1O	ZINC001158111113	779768942	/nfs/dbraw/zinc/76/89/42/779768942.db2.gz	KEQLKDJDQHLVHZ-HZUKXOBISA-N	2	0	322.409	-1.715	20	0		DAADRP
O=C([C@@H]1C[NH2+]CCC1=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158121690	779769914	/nfs/dbraw/zinc/76/99/14/779769914.db2.gz	WBYSWLHSSYSSNM-MEBBXXQBSA-N	2	0	306.366	-1.897	20	0		DAADRP
O=C(N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)[C@@]12C[NH2+][C@@H](CO1)C2	ZINC001158121623	779770095	/nfs/dbraw/zinc/77/00/95/779770095.db2.gz	VLXOLPIETIFQBW-VCTAVGKDSA-N	2	0	306.366	-1.945	20	0		DAADRP
O=C([C@@H]1CC[NH2+]C[C@H]1F)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158121043	779770140	/nfs/dbraw/zinc/77/01/40/779770140.db2.gz	RRUZTQFXHRIYDN-UEKVPHQBSA-N	2	0	310.373	-1.128	20	0		DAADRP
O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC[C@@H]2[NH2+]CC[C@H]21	ZINC001158192649	779770649	/nfs/dbraw/zinc/77/06/49/779770649.db2.gz	CJQZMONAHAHLGA-SDDRHHMPSA-N	2	0	317.397	-1.113	20	0		DAADRP
N[C@]1(C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)CCC[NH2+]C1	ZINC001158277970	779772287	/nfs/dbraw/zinc/77/22/87/779772287.db2.gz	ZFLTZQZGJBWFIL-OAHLLOKOSA-N	2	0	319.413	-1.220	20	0		DAADRP
[NH3+]CCC[NH2+]CC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158277134	779772435	/nfs/dbraw/zinc/77/24/35/779772435.db2.gz	JSOFTAAJGDEQRZ-UHFFFAOYSA-N	3	0	307.402	-1.363	20	0		DAADRP
O=C(N1Cc2ncnn2C2(CC[NH2+]CC2)C1)C1(O)CC[NH2+]CC1	ZINC001158263034	779772474	/nfs/dbraw/zinc/77/24/74/779772474.db2.gz	YULBHJKNQBODCY-UHFFFAOYSA-N	2	0	320.397	-1.187	20	0		DAADRP
O=C(N1Cc2ncnn2C2(CC[NH2+]CC2)C1)[C@@]12C[NH2+][C@@H](CO1)C2	ZINC001158260822	779772903	/nfs/dbraw/zinc/77/29/03/779772903.db2.gz	IASUEGFXLDCXIV-IAQYHMDHSA-N	2	0	318.381	-1.170	20	0		DAADRP
[NH3+][C@@H]1COC[C@@H]1C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158277575	779773088	/nfs/dbraw/zinc/77/30/88/779773088.db2.gz	PZMPWMJSYMVGLD-WDEREUQCSA-N	2	0	306.370	-1.327	20	0		DAADRP
O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC1)COCC(=O)N2	ZINC001158326814	779774095	/nfs/dbraw/zinc/77/40/95/779774095.db2.gz	MTZNHKPEDQYQSN-NSHDSACASA-N	2	0	308.382	-1.697	20	0		DAADRP
O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC1)COCC(=O)N2	ZINC001158326813	779774165	/nfs/dbraw/zinc/77/41/65/779774165.db2.gz	MTZNHKPEDQYQSN-LLVKDONJSA-N	2	0	308.382	-1.697	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1C[NH2+]C[C@H](O)C1	ZINC001158496632	779776458	/nfs/dbraw/zinc/77/64/58/779776458.db2.gz	WAZBVVFYOFRZMA-CKIKVBCHSA-N	2	0	311.382	-1.291	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[NH2+]CCC1=O	ZINC001158497498	779776689	/nfs/dbraw/zinc/77/66/89/779776689.db2.gz	AEXHJMBCICAGTE-WHOHXGKFSA-N	2	0	309.366	-1.083	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@]12C[NH2+]C[C@H]1COC2	ZINC001158496001	779776761	/nfs/dbraw/zinc/77/67/61/779776761.db2.gz	ISFVBMWASVDWTF-BLXSCJOCSA-N	2	0	323.393	-1.026	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12	ZINC001158495676	779776884	/nfs/dbraw/zinc/77/68/84/779776884.db2.gz	CPYMIULCQQFIEW-XNBXPENISA-N	2	0	323.393	-1.027	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2	ZINC001158496509	779776958	/nfs/dbraw/zinc/77/69/58/779776958.db2.gz	PXDMDVJFCFHAEJ-ZDEQEGDKSA-N	3	0	322.409	-1.453	20	0		DAADRP
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@]12C[NH2+][C@@H](CO1)C2	ZINC001158495963	779777173	/nfs/dbraw/zinc/77/71/73/779777173.db2.gz	HJPXPWOIBJOWHA-VINAVUOLSA-N	2	0	309.366	-1.131	20	0		DAADRP
[NH3+]CCNC(=O)/C=C/C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3	ZINC001158533224	779777213	/nfs/dbraw/zinc/77/72/13/779777213.db2.gz	IRXXGYNODGBZDP-QGYUPLSJSA-N	2	0	308.382	-1.403	20	0		DAADRP
O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3	ZINC001158534005	779777900	/nfs/dbraw/zinc/77/79/00/779777900.db2.gz	QKIAWSKYHAPBSN-RSUWNVLCSA-N	3	0	306.410	-1.225	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3	ZINC001158545789	779778224	/nfs/dbraw/zinc/77/82/24/779778224.db2.gz	ILJWUVVTXAQQGK-HHHUMZEGSA-N	2	0	310.398	-1.182	20	0		DAADRP
O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3	ZINC001158535650	779778273	/nfs/dbraw/zinc/77/82/73/779778273.db2.gz	YLGWMYFRABOJOF-VPWBDBDCSA-N	2	0	322.409	-1.704	20	0		DAADRP
[NH3+]C1([C@@H]2CN(C(=O)[C@@H]3NC(=O)CC34C[NH2+]C4)C[C@@H]2CF)CC1	ZINC001158567175	779778350	/nfs/dbraw/zinc/77/83/50/779778350.db2.gz	FMYJDCLSODJQEX-UMNHJUIQSA-N	2	0	310.373	-1.000	20	0		DAADRP
[NH3+]C1([C@@H]2CN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)C[C@@H]2CF)CC1	ZINC001158568966	779778287	/nfs/dbraw/zinc/77/82/87/779778287.db2.gz	UOTJISPUALJRDF-TUAOUCFPSA-N	2	0	312.389	-1.148	20	0		DAADRP
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)CC2	ZINC001158890173	779781279	/nfs/dbraw/zinc/78/12/79/779781279.db2.gz	AZYWLKXCQVTWBP-STQMWFEESA-N	2	0	324.425	-1.088	20	0		DAADRP
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H]1C[NH2+]C[C@H]1O)CC2	ZINC001158890819	779781436	/nfs/dbraw/zinc/78/14/36/779781436.db2.gz	NXIDLLVRJCLIPY-QWHCGFSZSA-N	2	0	324.425	-1.230	20	0		DAADRP
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)CC2	ZINC001158890817	779782320	/nfs/dbraw/zinc/78/23/20/779782320.db2.gz	NXIDLLVRJCLIPY-CHWSQXEVSA-N	2	0	324.425	-1.230	20	0		DAADRP
[NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1	ZINC001159267380	779790530	/nfs/dbraw/zinc/79/05/30/779790530.db2.gz	KWRGJLSMDXOSQK-UPJWGTAASA-N	2	0	320.397	-1.041	20	0		DAADRP
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)CNCC[NH3+])CC[C@@H]2C1	ZINC001159634716	779796066	/nfs/dbraw/zinc/79/60/66/779796066.db2.gz	CGVCBFFNSHHVFG-ZIAGYGMSSA-N	2	0	314.430	-1.270	20	0		DAADRP
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)C[C@@H](O)C[NH3+])CC[C@@H]2C1	ZINC001159635372	779796473	/nfs/dbraw/zinc/79/64/73/779796473.db2.gz	MHNBRSONQPNLJO-MGPQQGTHSA-N	2	0	315.414	-1.108	20	0		DAADRP
CC(=O)NCc1nnc2n1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C2	ZINC001159929414	779798431	/nfs/dbraw/zinc/79/84/31/779798431.db2.gz	IROVZAKAVWAPHN-SNVBAGLBSA-N	2	0	309.374	-1.677	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C	ZINC001159914548	779798630	/nfs/dbraw/zinc/79/86/30/779798630.db2.gz	DTWXXLKNACXFGD-GFCCVEGCSA-N	2	0	313.402	-1.122	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C	ZINC001159914549	779798809	/nfs/dbraw/zinc/79/88/09/779798809.db2.gz	DTWXXLKNACXFGD-LBPRGKRZSA-N	2	0	313.402	-1.122	20	0		DAADRP
C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN(S(C)(=O)=O)CC1	ZINC001160432217	779806150	/nfs/dbraw/zinc/80/61/50/779806150.db2.gz	PJRRKQGPBVKVKH-NSHDSACASA-N	2	0	306.432	-1.193	20	0		DAADRP
CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H]([NH3+])CCC[NH3+]	ZINC001160439247	779806465	/nfs/dbraw/zinc/80/64/65/779806465.db2.gz	ITMQBZXSGXTEOH-ZJUUUORDSA-N	2	0	300.359	-1.667	20	0		DAADRP
CS(=O)(=O)N1CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1	ZINC001160431997	779806913	/nfs/dbraw/zinc/80/69/13/779806913.db2.gz	KDUNIUMIXRHKKF-NSHDSACASA-N	2	0	306.432	-1.063	20	0		DAADRP
[NH3+]CCC[C@H]([NH3+])C(=O)N1CCN(CC(=O)N2CCCC2)CC1	ZINC001160483744	779808281	/nfs/dbraw/zinc/80/82/81/779808281.db2.gz	MWTZNEKPQXMLJD-ZDUSSCGKSA-N	2	0	311.430	-1.181	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)N1CC(N2CCNC(=O)C2)C1	ZINC001160637732	779813219	/nfs/dbraw/zinc/81/32/19/779813219.db2.gz	SGPVTQHPUWEQKG-JTQLQIEISA-N	2	0	301.416	-2.352	20	0		DAADRP
[NH3+][C@@H]1CCN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C[C@H]1O	ZINC001160652913	779814701	/nfs/dbraw/zinc/81/47/01/779814701.db2.gz	QJSMWJMDVTXHGP-GMTAPVOTSA-N	2	0	321.385	-2.155	20	0		DAADRP
[NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CC[C@@H]([NH3+])[C@H](O)C1	ZINC001160655901	779814804	/nfs/dbraw/zinc/81/48/04/779814804.db2.gz	RGOAKBZZGBLFNA-HZSPNIEDSA-N	2	0	320.393	-1.407	20	0		DAADRP
[NH3+]C[C@H]1CN(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)CCO1	ZINC001160643558	779815467	/nfs/dbraw/zinc/81/54/67/779815467.db2.gz	IUZBPWVONFKICR-RYUDHWBXSA-N	2	0	320.397	-1.285	20	0		DAADRP
[NH3+][C@@H]1CCN(C(=O)c2cnc(N3CC[NH2+]CC3)cn2)C[C@H]1O	ZINC001160656007	779815762	/nfs/dbraw/zinc/81/57/62/779815762.db2.gz	STCRXAIIWDGYRS-ZYHUDNBSSA-N	2	0	306.370	-1.580	20	0		DAADRP
CN(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C1CCS(=O)(=O)CC1	ZINC001160718620	779816373	/nfs/dbraw/zinc/81/63/73/779816373.db2.gz	NTYLHPRIEKXAQG-LLVKDONJSA-N	2	0	301.412	-1.169	20	0		DAADRP
O=C(N1CCC2(CC1)CNC(=O)CO2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001160772784	779818657	/nfs/dbraw/zinc/81/86/57/779818657.db2.gz	XBMMUMGUJQXESW-MLGOLLRUSA-N	2	0	322.409	-1.307	20	0		DAADRP
[NH3+][C@@H](C(=O)N1CCC2(CC1)CNC(=O)CO2)C1CC[NH2+]CC1	ZINC001160771878	779818728	/nfs/dbraw/zinc/81/87/28/779818728.db2.gz	ILILLJPZGPTGID-CYBMUJFWSA-N	2	0	310.398	-1.179	20	0		DAADRP
CCOC(=O)[C@]12CN(C(=O)[C@]3(N)CC[NH2+]C3)C[C@H]1C[NH2+]CC2	ZINC001160812126	779819359	/nfs/dbraw/zinc/81/93/59/779819359.db2.gz	HACQPPUIXANCFB-DFBGVHRSSA-N	2	0	310.398	-1.322	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3[NH2+]CC[C@H]3O)C[C@H]1C2	ZINC001160797038	779819556	/nfs/dbraw/zinc/81/95/56/779819556.db2.gz	HLCBHSROEDYVSS-XMPVJMIMSA-N	2	0	323.393	-1.434	20	0		DAADRP
CCOC(=O)[C@]12CN(C(=O)[C@H]3C[NH2+]CCN3)C[C@H]1C[NH2+]CC2	ZINC001160811972	779819838	/nfs/dbraw/zinc/81/98/38/779819838.db2.gz	BYLMXWZDCRKBHU-LALPHHSUSA-N	2	0	310.398	-1.451	20	0		DAADRP
CCOC(=O)[C@]12CN(C(=O)[C@H]3C[NH2+]C[C@@H]3O)C[C@H]1C[NH2+]CC2	ZINC001160812281	779819916	/nfs/dbraw/zinc/81/99/16/779819916.db2.gz	MOILFXKWHSZDRM-OXJKWZBOSA-N	2	0	311.382	-1.432	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCOC[C@H]1C[NH+](C)C	ZINC001160837570	779820004	/nfs/dbraw/zinc/82/00/04/779820004.db2.gz	BRFOCRJISPMHSJ-AXFHLTTASA-N	2	0	302.375	-2.400	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@H]1C2	ZINC001160792121	779820226	/nfs/dbraw/zinc/82/02/26/779820226.db2.gz	PTHSXDWTYPXQBV-CRQFQMBKSA-N	3	0	324.425	-1.090	20	0		DAADRP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3COC[C@H]3[NH3+])C[C@H]1C2	ZINC001160797522	779820313	/nfs/dbraw/zinc/82/03/13/779820313.db2.gz	QBXSZBAZAFKBAW-LBHFADQZSA-N	2	0	323.393	-1.183	20	0		DAADRP
CCOC(=O)[C@]12CN(C(=O)[C@@]3(N)CC[NH2+]C3)C[C@H]1C[NH2+]CC2	ZINC001160812127	779820447	/nfs/dbraw/zinc/82/04/47/779820447.db2.gz	HACQPPUIXANCFB-KCPJHIHWSA-N	2	0	310.398	-1.322	20	0		DAADRP
CC[C@H](C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C	ZINC001160889656	779820964	/nfs/dbraw/zinc/82/09/64/779820964.db2.gz	NPOHUFQRWSJWRQ-LLVKDONJSA-N	2	0	313.402	-1.026	20	0		DAADRP
CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC)[NH+](C)C	ZINC001160883439	779821485	/nfs/dbraw/zinc/82/14/85/779821485.db2.gz	NDFDXPUKUPHMJT-SNVBAGLBSA-N	2	0	301.391	-1.122	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N(c1ncccn1)C1C[NH2+]C1	ZINC001160915513	779822520	/nfs/dbraw/zinc/82/25/20/779822520.db2.gz	BSNBGCMAGRGHLH-ZDUSSCGKSA-N	3	0	319.413	-1.468	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@H]([NH3+])CC(F)(F)C1	ZINC001160971531	779822799	/nfs/dbraw/zinc/82/27/99/779822799.db2.gz	IKYAHKOWAYMTQR-MRVPVSSYSA-N	2	0	314.358	-1.598	20	0		DAADRP
O=C([C@H]1NC(=O)CC12C[NH2+]C2)N1CC(O)([C@@H]2CCCC[NH2+]2)C1	ZINC001160999270	779822860	/nfs/dbraw/zinc/82/28/60/779822860.db2.gz	AJVGXUURKDQAKS-CMPLNLGQSA-N	2	0	308.382	-1.820	20	0		DAADRP
O=C([C@@H]1COC2(C[NH2+]C2)CN1)N(c1ncccn1)C1C[NH2+]C1	ZINC001160915863	779822996	/nfs/dbraw/zinc/82/29/96/779822996.db2.gz	PSEPSBHQHQYLDV-NSHDSACASA-N	2	0	304.354	-1.888	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@@H]([NH3+])CC(F)(F)C1	ZINC001160971532	779823010	/nfs/dbraw/zinc/82/30/10/779823010.db2.gz	IKYAHKOWAYMTQR-QMMMGPOBSA-N	2	0	314.358	-1.598	20	0		DAADRP
O=C([C@H]1NC(=O)CC12C[NH2+]C2)N1CC(O)([C@H]2CCCC[NH2+]2)C1	ZINC001160999273	779823682	/nfs/dbraw/zinc/82/36/82/779823682.db2.gz	AJVGXUURKDQAKS-ZYHUDNBSSA-N	2	0	308.382	-1.820	20	0		DAADRP
C[N@@H+]1C[C@H](C(=O)N2CCC[C@H]2C(N)=O)OC2(CC[NH2+]CC2)C1	ZINC001161035168	779824723	/nfs/dbraw/zinc/82/47/23/779824723.db2.gz	UNIGZKPTCYFKCB-NWDGAFQWSA-N	2	0	310.398	-1.085	20	0		DAADRP
CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@H]1CCCC[C@@H]1[NH3+]	ZINC001161064843	779824774	/nfs/dbraw/zinc/82/47/74/779824774.db2.gz	SZYQSHVQATXCHM-QWRGUYRKSA-N	2	0	306.432	-1.065	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1	ZINC001161008058	779824880	/nfs/dbraw/zinc/82/48/80/779824880.db2.gz	NLJFIKKKFOCKDT-QWRGUYRKSA-N	3	0	302.444	-1.279	20	0		DAADRP
NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1	ZINC001160999601	779825302	/nfs/dbraw/zinc/82/53/02/779825302.db2.gz	IDRCAXDAOGCSOE-MNOVXSKESA-N	2	0	313.402	-1.522	20	0		DAADRP
CCOC(=O)CN(CCC[NH3+])C(=O)COCCOCC[NH3+]	ZINC001161158545	779829649	/nfs/dbraw/zinc/82/96/49/779829649.db2.gz	WOWZZBJTCWIHKF-UHFFFAOYSA-N	2	0	305.375	-1.281	20	0		DAADRP
CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1C[NH2+]C[C@@H]1OC(C)=O	ZINC001161158627	779829656	/nfs/dbraw/zinc/82/96/56/779829656.db2.gz	ZCHVKPUHZMXROD-NEPJUHHUSA-N	2	0	315.370	-1.122	20	0		DAADRP
CCOC(=O)CN(CCC[NH3+])C(=O)C1(C(=O)OCC)C[NH2+]C1	ZINC001161157954	779829770	/nfs/dbraw/zinc/82/97/70/779829770.db2.gz	MLDOGSWJZNXUIU-UHFFFAOYSA-N	2	0	315.370	-1.120	20	0		DAADRP
[NH3+]C[C@]1(F)CCN(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)C1	ZINC001161240078	779830311	/nfs/dbraw/zinc/83/03/11/779830311.db2.gz	VXKLVEBVWYJGQQ-GXSJLCMTSA-N	2	0	305.375	-1.338	20	0		DAADRP
O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1Cc2ccnn2CC[C@@H]1CO	ZINC001161170080	779830389	/nfs/dbraw/zinc/83/03/89/779830389.db2.gz	ISJBDMDINIMKGS-CHWSQXEVSA-N	2	0	305.382	-1.215	20	0		DAADRP
[NH3+][C@H](C(=O)N1CCN(c2ncncn2)CC1)C1CC[NH2+]CC1	ZINC001161247301	779830785	/nfs/dbraw/zinc/83/07/85/779830785.db2.gz	CGBIDRNHKSYKFV-LBPRGKRZSA-N	2	0	305.386	-1.153	20	0		DAADRP
CN(C(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2)[C@@H]1[C@H]2C[NH2+]C[C@H]21	ZINC001161218421	779831358	/nfs/dbraw/zinc/83/13/58/779831358.db2.gz	IDTRZCUHBSZXJV-WHOHXGKFSA-N	2	0	317.397	-1.400	20	0		DAADRP
CCC[NH+]1C[C@H]2CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C[C@@H]2C1	ZINC001161175624	779831384	/nfs/dbraw/zinc/83/13/84/779831384.db2.gz	MSZXKVKYEXUWDQ-CYDGBPFRSA-N	2	0	312.414	-1.389	20	0		DAADRP
CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1	ZINC001161270729	779832681	/nfs/dbraw/zinc/83/26/81/779832681.db2.gz	QYFXJSIOVHSJBD-KGLIPLIRSA-N	2	0	311.430	-1.136	20	0		DAADRP
COC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])CCC[NH3+])CCN1C(C)=O	ZINC001161295574	779834807	/nfs/dbraw/zinc/83/48/07/779834807.db2.gz	MBQDYFUMSQQRIQ-GHMZBOCLSA-N	2	0	300.359	-1.715	20	0		DAADRP
[NH3+]C1CCN([C@H]2CCN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)C2)CC1	ZINC001161380874	779835245	/nfs/dbraw/zinc/83/52/45/779835245.db2.gz	WJBFFOSXUOLIMR-KBPBESRZSA-N	2	0	323.441	-1.659	20	0		DAADRP
[NH3+]C1CCN([C@H]2CCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C2)CC1	ZINC001161379972	779835813	/nfs/dbraw/zinc/83/58/13/779835813.db2.gz	SKAFVKCWYUAKHH-UONOGXRCSA-N	3	0	307.442	-1.181	20	0		DAADRP
O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CCO[C@@H](C[NH+]2CCCC2)C1	ZINC001161382429	779835853	/nfs/dbraw/zinc/83/58/53/779835853.db2.gz	XNUSTMZQFCHZRO-UONOGXRCSA-N	2	0	324.425	-1.360	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1	ZINC001161412038	779835895	/nfs/dbraw/zinc/83/58/95/779835895.db2.gz	FICACROSPJPGLP-HBNTYKKESA-N	2	0	304.416	-1.598	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1	ZINC001161380342	779836052	/nfs/dbraw/zinc/83/60/52/779836052.db2.gz	USZAWJAWAZWUMS-GMXVVIOVSA-N	2	0	311.430	-1.138	20	0		DAADRP
C[NH+](C)CCN(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)[C@@H]1CCC[NH2+]C1	ZINC001161446594	779837438	/nfs/dbraw/zinc/83/74/38/779837438.db2.gz	SUENFOXUVSGTKY-KGLIPLIRSA-N	4	0	309.458	-1.062	20	0		DAADRP
COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1COC3)CC2	ZINC001161477031	779838136	/nfs/dbraw/zinc/83/81/36/779838136.db2.gz	GMIWGEMPOVHBEP-OJDYBEQGSA-N	2	0	323.393	-1.024	20	0		DAADRP
COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1CO[C@@H]3C[NH2+]C[C@H]13)CC2	ZINC001161476991	779838503	/nfs/dbraw/zinc/83/85/03/779838503.db2.gz	FZKOMZVPIADMSN-ZUSNOYAUSA-N	2	0	323.393	-1.026	20	0		DAADRP
COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)CC2	ZINC001161478743	779838510	/nfs/dbraw/zinc/83/85/10/779838510.db2.gz	NXDWAROVEZWPIJ-LVYCXYHQSA-N	2	0	322.409	-1.310	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@]13C[NH2+]C[C@H]1CCN3)CC2	ZINC001161478653	779838531	/nfs/dbraw/zinc/83/85/31/779838531.db2.gz	NGXVKZIURXRXAG-AVRGHOLYSA-N	2	0	322.409	-1.309	20	0		DAADRP
COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)C1=NO[C@@H]3C[NH2+]C[C@H]13)CC2	ZINC001161480873	779838806	/nfs/dbraw/zinc/83/88/06/779838806.db2.gz	VPXWMWFVUKUKLH-BQVMBELUSA-N	2	0	322.365	-1.286	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@]13C[NH2+][C@@H](CO1)C3)CC2	ZINC001161478082	779838935	/nfs/dbraw/zinc/83/89/35/779838935.db2.gz	KIZFTZHPFRGHPT-FDRIWYBQSA-N	2	0	309.366	-1.129	20	0		DAADRP
COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@]13C[NH2+][C@@H](CO1)C3)CC2	ZINC001161478081	779839254	/nfs/dbraw/zinc/83/92/54/779839254.db2.gz	KIZFTZHPFRGHPT-BAESOJJISA-N	2	0	309.366	-1.129	20	0		DAADRP
C[N@@H+]1C[C@@H](C(=O)N2C[C@H]([NH3+])C3(COC3)C2)OC2(CC[NH2+]CC2)C1	ZINC001161510659	779839735	/nfs/dbraw/zinc/83/97/35/779839735.db2.gz	QOWKESMXYJYGAW-STQMWFEESA-N	3	0	324.425	-1.375	20	0		DAADRP
C[C@@]1(C[NH3+])CCCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C1	ZINC001161488090	779840006	/nfs/dbraw/zinc/84/00/06/779840006.db2.gz	AJEIFLXIIFXIFE-LBPRGKRZSA-N	2	0	306.432	-1.206	20	0		DAADRP
[NH3+][C@@H]1CN(C(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)CC12COC2	ZINC001161501413	779840142	/nfs/dbraw/zinc/84/01/42/779840142.db2.gz	XMPHOGNYPBIBHO-GHMZBOCLSA-N	2	0	308.382	-1.712	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1C[NH2+]CC[C@@H]1O)CC2	ZINC001161481296	779840150	/nfs/dbraw/zinc/84/01/50/779840150.db2.gz	XMIUDIARSYTJGT-OHTBPHCPSA-N	2	0	311.382	-1.290	20	0		DAADRP
COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)C1(O)CC[NH2+]CC1)CC2	ZINC001161481800	779840162	/nfs/dbraw/zinc/84/01/62/779840162.db2.gz	YXINZOAHKHHVDQ-BXUZGUMPSA-N	2	0	311.382	-1.146	20	0		DAADRP
CO[C@@H]1CN(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)C[C@@H]1[NH3+]	ZINC001161491737	779840429	/nfs/dbraw/zinc/84/04/29/779840429.db2.gz	IZIPZALCLKLLKL-SDDRHHMPSA-N	2	0	320.397	-1.286	20	0		DAADRP
NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)cc1	ZINC001161509019	779840453	/nfs/dbraw/zinc/84/04/53/779840453.db2.gz	HNDFNABIYCTXBQ-QWHCGFSZSA-N	2	0	318.377	-1.159	20	0		DAADRP
CO[C@@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C[C@@H]1[NH3+]	ZINC001161493185	779840657	/nfs/dbraw/zinc/84/06/57/779840657.db2.gz	GAFIMQAPICAMLM-GARJFASQSA-N	2	0	316.402	-1.571	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2COC[C@H](C1)C2=O	ZINC001161491896	779840734	/nfs/dbraw/zinc/84/07/34/779840734.db2.gz	JNHNSCLTAJNOQC-LOWVWBTDSA-N	2	0	310.398	-1.589	20	0		DAADRP
CO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)C[C@@H]1[NH3+]	ZINC001161491591	779840945	/nfs/dbraw/zinc/84/09/45/779840945.db2.gz	FYUQGFAFIXRPSS-XQQFMLRXSA-N	3	0	312.414	-1.376	20	0		DAADRP
COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C1(O)CC[NH2+]CC1)CC2	ZINC001161481802	779840998	/nfs/dbraw/zinc/84/09/98/779840998.db2.gz	YXINZOAHKHHVDQ-FZMZJTMJSA-N	2	0	311.382	-1.146	20	0		DAADRP
[NH3+][C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)CC12COC2	ZINC001161511173	779841656	/nfs/dbraw/zinc/84/16/56/779841656.db2.gz	YAWKKBPAFTYHOO-NXEZZACHSA-N	2	0	315.395	-2.051	20	0		DAADRP
O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC[NH2+]C2(CC2)C1	ZINC001161542902	779841669	/nfs/dbraw/zinc/84/16/69/779841669.db2.gz	KNVXFZXYIQDLOG-NSHDSACASA-N	2	0	317.397	-1.112	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]([NH3+])C2(COC2)C1	ZINC001161510995	779841852	/nfs/dbraw/zinc/84/18/52/779841852.db2.gz	UOBIRZJTPOGJOA-CIUDSAMLSA-N	2	0	313.358	-3.120	20	0		DAADRP
[NH3+][C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)CC12COC2	ZINC001161511176	779842040	/nfs/dbraw/zinc/84/20/40/779842040.db2.gz	YAWKKBPAFTYHOO-ZJUUUORDSA-N	2	0	315.395	-2.051	20	0		DAADRP
COC(=O)CC[C@@H]1COCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2	ZINC001161564532	779842799	/nfs/dbraw/zinc/84/27/99/779842799.db2.gz	BUNDRXBWXYHGEX-NEPJUHHUSA-N	2	0	311.382	-1.024	20	0		DAADRP
C[C@H]1CN(c2ccc(N(CC[NH3+])S(C)(=O)=O)nn2)CC[NH2+]1	ZINC001162124180	779850757	/nfs/dbraw/zinc/85/07/57/779850757.db2.gz	QNAXDKWDLFKWGS-JTQLQIEISA-N	2	0	314.415	-1.001	20	0		DAADRP
C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C(N)=O	ZINC001162872208	779862853	/nfs/dbraw/zinc/86/28/53/779862853.db2.gz	KMUGQIZGOKEUIF-BVWOZKJXSA-N	2	0	310.398	-1.181	20	0		DAADRP
O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2nccnc2N2CC[NH2+]CC2)N1	ZINC001163240996	779865497	/nfs/dbraw/zinc/86/54/97/779865497.db2.gz	XRUWAQFLUNDSTB-HZMBPMFUSA-N	2	0	303.370	-1.124	20	0		DAADRP
C[C@H]1CN(c2ccc(N(C)S(=O)(=O)CC[NH3+])nn2)CC[NH2+]1	ZINC001164286996	779878377	/nfs/dbraw/zinc/87/83/77/779878377.db2.gz	HBPQMIFWWNBNKB-JTQLQIEISA-N	2	0	314.415	-1.001	20	0		DAADRP
C[NH+](C)CC1(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)CC1	ZINC001165261802	779880357	/nfs/dbraw/zinc/88/03/57/779880357.db2.gz	CUTCNDUQKMUFPC-UHFFFAOYSA-N	2	0	320.459	-1.027	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1	ZINC001165253528	779880803	/nfs/dbraw/zinc/88/08/03/779880803.db2.gz	IHPSLPOSEYWVPG-UHFFFAOYSA-N	2	0	313.402	-1.120	20	0		DAADRP
O=C1NCCN(c2cncc(N3CC[NH2+]CC3)n2)C12C[NH2+]C2	ZINC001165298920	779881683	/nfs/dbraw/zinc/88/16/83/779881683.db2.gz	YJGZOQHEPLQBLS-UHFFFAOYSA-N	2	0	303.370	-1.836	20	0		DAADRP
C[NH+](C)CCCC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O	ZINC001165359537	779882126	/nfs/dbraw/zinc/88/21/26/779882126.db2.gz	DHTKQFUCOZCASK-UHFFFAOYSA-N	2	0	313.402	-1.024	20	0		DAADRP
CS(=O)(=O)c1nc2c(c(N3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)n1)CC[NH2+]CC2	ZINC001165380772	779882214	/nfs/dbraw/zinc/88/22/14/779882214.db2.gz	IXUMTWUFUBBJEA-PEGIJTEDSA-N	2	0	323.422	-1.038	20	0		DAADRP
CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[NH+](C)C	ZINC001165788769	779887265	/nfs/dbraw/zinc/88/72/65/779887265.db2.gz	UQPRNTWAYXRBKF-JTQLQIEISA-N	2	0	301.391	-1.122	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[NH+](C)C	ZINC001165788773	779887617	/nfs/dbraw/zinc/88/76/17/779887617.db2.gz	UQPRNTWAYXRBKF-SNVBAGLBSA-N	2	0	301.391	-1.122	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C	ZINC001166708779	779891615	/nfs/dbraw/zinc/89/16/15/779891615.db2.gz	WAMRILRHZLLRMD-GHMZBOCLSA-N	2	0	313.402	-1.264	20	0		DAADRP
C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O	ZINC001166691821	779892549	/nfs/dbraw/zinc/89/25/49/779892549.db2.gz	NXGUCKDSHNRYJD-RYUDHWBXSA-N	2	0	320.459	-1.171	20	0		DAADRP
CC[C@@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)[NH+](C)C	ZINC001166852412	779894745	/nfs/dbraw/zinc/89/47/45/779894745.db2.gz	QRFZNEKWZIJNNO-NSHDSACASA-N	2	0	308.448	-1.028	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1	ZINC001209447094	779952967	/nfs/dbraw/zinc/95/29/67/779952967.db2.gz	XAYANRTUYYJTCB-NSHDSACASA-N	2	0	313.402	-1.026	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001211065747	779967007	/nfs/dbraw/zinc/96/70/07/779967007.db2.gz	ZDLWAZXCYAUUIA-QWRGUYRKSA-N	2	0	311.386	-1.286	20	0		DAADRP
CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)COC1CC[NH+](C)CC1	ZINC001213638203	779983482	/nfs/dbraw/zinc/98/34/82/779983482.db2.gz	DAHGVZMINOLUMD-ZIAGYGMSSA-N	2	0	315.414	-1.095	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C	ZINC001215455743	780009448	/nfs/dbraw/zinc/00/94/48/780009448.db2.gz	FNEJEICMBBMYHJ-GHMZBOCLSA-N	2	0	313.402	-1.170	20	0		DAADRP
CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001215994080	780010689	/nfs/dbraw/zinc/01/06/89/780010689.db2.gz	PBVNTXVEEPCFKQ-GHMZBOCLSA-N	2	0	313.402	-1.040	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001216852330	780017187	/nfs/dbraw/zinc/01/71/87/780017187.db2.gz	ULMBDVSDYIUNNG-GHMZBOCLSA-N	2	0	313.402	-1.042	20	0		DAADRP
Cc1noc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1C(N)=O	ZINC001218551040	780032708	/nfs/dbraw/zinc/03/27/08/780032708.db2.gz	AJQVCWJXWRSZCJ-SECBINFHSA-N	2	0	310.358	-1.229	20	0		DAADRP
COC(=O)c1cncc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)n1	ZINC001218580071	780035296	/nfs/dbraw/zinc/03/52/96/780035296.db2.gz	SXXQVJPPFAQKJK-SNVBAGLBSA-N	2	0	322.369	-1.048	20	0		DAADRP
Nc1cn(C(=O)CNCC[NH3+])ccc1=[NH+]CCN1CCOCC1	ZINC001218620952	780036473	/nfs/dbraw/zinc/03/64/73/780036473.db2.gz	SXJAUMPGRNIWOI-UHFFFAOYSA-N	2	0	322.413	-1.508	20	0		DAADRP
Nc1cn(C(=O)C[C@H](O)C[NH3+])ccc1=[NH+]CCN1CCOCC1	ZINC001218620149	780037102	/nfs/dbraw/zinc/03/71/02/780037102.db2.gz	FTFCEYXDQXCUHG-LBPRGKRZSA-N	2	0	323.397	-1.347	20	0		DAADRP
CCOc1cc(N)n(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c(=N)n1	ZINC001218680652	780039406	/nfs/dbraw/zinc/03/94/06/780039406.db2.gz	FDTCQKZGQZGMCP-SNVBAGLBSA-N	2	0	323.401	-1.266	20	0		DAADRP
CCc1c(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c(C(N)=O)nn1C	ZINC001218788469	780040713	/nfs/dbraw/zinc/04/07/13/780040713.db2.gz	PSNUYDUPVNLLAX-MRVPVSSYSA-N	2	0	306.370	-1.171	20	0		DAADRP
C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1	ZINC001218970565	780046151	/nfs/dbraw/zinc/04/61/51/780046151.db2.gz	JVYIIHYPDRBEJC-HZSPNIEDSA-N	2	0	315.414	-1.143	20	0		DAADRP
CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N(CC[NH3+])S(C)(=O)=O	ZINC001219595458	780120194	/nfs/dbraw/zinc/12/01/94/780120194.db2.gz	AYSFUZKUXIAUGI-WPRPVWTQSA-N	2	0	308.404	-1.777	20	0		DAADRP
O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1NC(=O)CC12C[NH2+]C2	ZINC001219609766	780124186	/nfs/dbraw/zinc/12/41/86/780124186.db2.gz	DHEIYIULCSHFAK-LDYMZIIASA-N	2	0	306.288	-1.125	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1	ZINC001219613444	780125337	/nfs/dbraw/zinc/12/53/37/780125337.db2.gz	MFKGJBLFQBNNIP-BYULHYEWSA-N	2	0	312.292	-1.779	20	0		DAADRP
C[NH2+][C@H]1CCCN(CC(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1	ZINC001219622372	780126538	/nfs/dbraw/zinc/12/65/38/780126538.db2.gz	UFLMSGOIAJZYOW-SGMGOOAPSA-N	2	0	302.394	-1.151	20	0		DAADRP
O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1cnc2n1CC[NH2+]CC2	ZINC001219628240	780126883	/nfs/dbraw/zinc/12/68/83/780126883.db2.gz	SYWKPADNYFBKMJ-SMDDNHRTSA-N	2	0	311.361	-1.179	20	0		DAADRP
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F	ZINC001219621752	780127561	/nfs/dbraw/zinc/12/75/61/780127561.db2.gz	GWHRNVQOYHUWKM-NJBDSQKTSA-N	2	0	317.361	-1.436	20	0		DAADRP
O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H]1Cn2ccnc2C12CC[NH2+]CC2	ZINC001219712772	780136316	/nfs/dbraw/zinc/13/63/16/780136316.db2.gz	WFCUZPAULMROLI-IJLUTSLNSA-N	2	0	305.382	-1.417	20	0		DAADRP
N[C@H](CC(=O)N[C@@H]1C[NH2+]C[C@H]1O)C(=O)OCc1ccccc1	ZINC001219712239	780136387	/nfs/dbraw/zinc/13/63/87/780136387.db2.gz	NJKYDWHQOPLPHD-JHJVBQTASA-N	2	0	307.350	-1.104	20	0		DAADRP
[NH3+][C@H]1COC[C@H]1NC(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2	ZINC001219719948	780137446	/nfs/dbraw/zinc/13/74/46/780137446.db2.gz	AXSHBZSYYOEMKX-LPEHRKFASA-N	2	0	307.358	-2.234	20	0		DAADRP
C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@@H]2COC[C@@H]2[NH3+])COC1(C)C	ZINC001219720657	780137739	/nfs/dbraw/zinc/13/77/39/780137739.db2.gz	OIYFUEDWPWETAV-QEYWKRMJSA-N	2	0	300.359	-1.861	20	0		DAADRP
CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1COC[C@@H]1[NH3+]	ZINC001219720831	780138422	/nfs/dbraw/zinc/13/84/22/780138422.db2.gz	SFPRRUGPSXEGAZ-LPEHRKFASA-N	2	0	302.375	-1.913	20	0		DAADRP
CC(=O)NCSC[C@H]([NH3+])C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1	ZINC001219736694	780139029	/nfs/dbraw/zinc/13/90/29/780139029.db2.gz	FMWSRHDONKWYRP-QWRGUYRKSA-N	2	0	316.427	-1.365	20	0		DAADRP
O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001219736689	780139499	/nfs/dbraw/zinc/13/94/99/780139499.db2.gz	FLSYLDKFAZZEIW-NEPJUHHUSA-N	2	0	322.409	-1.403	20	0		DAADRP
O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001219736692	780139607	/nfs/dbraw/zinc/13/96/07/780139607.db2.gz	FLSYLDKFAZZEIW-VXGBXAGGSA-N	2	0	322.409	-1.403	20	0		DAADRP
[NH3+][C@@H](Cn1cccn1)C(=O)NCc1nnc2n1CCC[NH2+]C2	ZINC001219746869	780140535	/nfs/dbraw/zinc/14/05/35/780140535.db2.gz	OIXBCICHWFXFNO-JTQLQIEISA-N	2	0	304.358	-1.388	20	0		DAADRP
C[C@@]1(C(=O)NCc2nnc3n2CCC[NH2+]C3)CC[NH2+]C[C@H]1O	ZINC001219748794	780140959	/nfs/dbraw/zinc/14/09/59/780140959.db2.gz	CLKOVHZXMYRPBQ-QMTHXVAHSA-N	2	0	308.386	-1.252	20	0		DAADRP
[NH3+]CCNC(=O)/C=C/C(=O)NCc1nnc2n1CCC[NH2+]C2	ZINC001219746723	780141266	/nfs/dbraw/zinc/14/12/66/780141266.db2.gz	MRMRQXYDFREMAX-NSCUHMNNSA-N	2	0	307.358	-1.981	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1	ZINC001219739125	780141807	/nfs/dbraw/zinc/14/18/07/780141807.db2.gz	HSIJBTWSLHKESY-GUBZILKMSA-N	2	0	300.359	-2.695	20	0		DAADRP
[NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1	ZINC001219739045	780141834	/nfs/dbraw/zinc/14/18/34/780141834.db2.gz	GABSUDSSXCRTKH-STQMWFEESA-N	3	0	311.430	-1.769	20	0		DAADRP
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1nnc2n1CCC[NH2+]C2	ZINC001219750225	780142456	/nfs/dbraw/zinc/14/24/56/780142456.db2.gz	YAAGZJJJYASPJQ-JTQLQIEISA-N	2	0	321.385	-1.744	20	0		DAADRP
[NH3+]CC(=O)N1CCC[C@H]1C(=O)NCc1nnc2n1CCC[NH2+]C2	ZINC001219749018	780142474	/nfs/dbraw/zinc/14/24/74/780142474.db2.gz	HJSFODVEXRDDFJ-JTQLQIEISA-N	2	0	321.385	-1.663	20	0		DAADRP
O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1C[NH2+]CC12C[NH2+]C2	ZINC001219748994	780142595	/nfs/dbraw/zinc/14/25/95/780142595.db2.gz	GSPBSCGEIPYYMH-SNVBAGLBSA-N	3	0	305.386	-1.803	20	0		DAADRP
CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NCc1nnc2n1CCC[NH2+]C2	ZINC001219750252	780143178	/nfs/dbraw/zinc/14/31/78/780143178.db2.gz	ZAZRBWMATOBCFK-WDEREUQCSA-N	2	0	322.369	-1.461	20	0		DAADRP
[NH3+]CCOCCOCC(=O)NCc1nnc2n1CCC[NH2+]C2	ZINC001219748798	780143209	/nfs/dbraw/zinc/14/32/09/780143209.db2.gz	CMGGIWACGZTOJI-UHFFFAOYSA-N	2	0	312.374	-1.621	20	0		DAADRP
CCOC(=O)C1(C(=O)NCc2nnc3n2CCC[NH2+]C3)C[NH2+]C1	ZINC001219749162	780143332	/nfs/dbraw/zinc/14/33/32/780143332.db2.gz	ISIBETLMAJFEQJ-UHFFFAOYSA-N	2	0	322.369	-1.460	20	0		DAADRP
O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)C1=NO[C@]2(CC[NH2+]C2)C1	ZINC001219765146	780143978	/nfs/dbraw/zinc/14/39/78/780143978.db2.gz	WAIYZDDZUZZRGB-TYNCELHUSA-N	2	0	307.398	-1.095	20	0		DAADRP
NC(=O)NCCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1	ZINC001219765095	780144074	/nfs/dbraw/zinc/14/40/74/780144074.db2.gz	UTEXHURFZLIUGY-WOPDTQHZSA-N	2	0	312.418	-1.828	20	0		DAADRP
CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1	ZINC001219766533	780144678	/nfs/dbraw/zinc/14/46/78/780144678.db2.gz	VWPKCGSLVYJODE-RFGFWPKPSA-N	2	0	310.398	-1.453	20	0		DAADRP
C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1	ZINC001219765778	780144732	/nfs/dbraw/zinc/14/47/32/780144732.db2.gz	AZUGFFMDSKEYJQ-CRWXNKLISA-N	2	0	323.441	-1.266	20	0		DAADRP
[NH3+]CCNC(=O)/C=C/C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1	ZINC001219793623	780147754	/nfs/dbraw/zinc/14/77/54/780147754.db2.gz	IYYOASFUJSURGT-OWOJBTEDSA-N	3	0	323.441	-1.050	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2	ZINC001219803091	780147860	/nfs/dbraw/zinc/14/78/60/780147860.db2.gz	KURRKJXGYXFWDZ-AXFHLTTASA-N	2	0	314.386	-2.305	20	0		DAADRP
O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@H]1NC(=O)CC12C[NH2+]C2	ZINC001219801107	780148031	/nfs/dbraw/zinc/14/80/31/780148031.db2.gz	SMYPYFJVQNDRFR-CMPLNLGQSA-N	2	0	308.382	-1.651	20	0		DAADRP
NC(=O)NCCC[C@H]([NH3+])C(=O)NCC[C@H]1CCOC12C[NH2+]C2	ZINC001219800262	780148214	/nfs/dbraw/zinc/14/82/14/780148214.db2.gz	INLNBFJAKXIOKR-QWRGUYRKSA-N	2	0	313.402	-1.353	20	0		DAADRP
O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@H]1NC(=O)CC12C[NH2+]C2	ZINC001219801110	780148459	/nfs/dbraw/zinc/14/84/59/780148459.db2.gz	SMYPYFJVQNDRFR-ZYHUDNBSSA-N	2	0	308.382	-1.651	20	0		DAADRP
[NH3+]CCOCCOCC(=O)NCC[C@H]1CCOC12C[NH2+]C2	ZINC001219800846	780148602	/nfs/dbraw/zinc/14/86/02/780148602.db2.gz	OPHKYWIGZHFGRC-LBPRGKRZSA-N	2	0	301.387	-1.137	20	0		DAADRP
C[S@](=O)CC[C@H]([NH3+])C(=O)NCC[C@H]1CCOC12C[NH2+]C2	ZINC001219801388	780148681	/nfs/dbraw/zinc/14/86/81/780148681.db2.gz	YXRODLZRYFDYHB-MKXJDEKUSA-N	2	0	303.428	-1.033	20	0		DAADRP
C[S@@](=O)CC[C@H]([NH3+])C(=O)NCC[C@@H]1CCOC12C[NH2+]C2	ZINC001219801390	780148854	/nfs/dbraw/zinc/14/88/54/780148854.db2.gz	YXRODLZRYFDYHB-QZXWKGOOSA-N	2	0	303.428	-1.033	20	0		DAADRP
O=C(NCc1noc2c1C[NH2+]CC2)[C@@H]1COC2(C[NH2+]C2)CN1	ZINC001219809949	780150176	/nfs/dbraw/zinc/15/01/76/780150176.db2.gz	XGOFSOLDKQTOBC-NSHDSACASA-N	2	0	307.354	-1.733	20	0		DAADRP
O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1	ZINC001219834909	780153409	/nfs/dbraw/zinc/15/34/09/780153409.db2.gz	UJZVOPBPQFGFFS-IPVBOJNNSA-N	2	0	324.425	-1.552	20	0		DAADRP
O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]CCCO1	ZINC001219833711	780153471	/nfs/dbraw/zinc/15/34/71/780153471.db2.gz	HOLREMUOTWYKIL-IPYPFGDCSA-N	2	0	313.398	-1.124	20	0		DAADRP
[NH3+]CC(=O)NCC(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219835091	780153492	/nfs/dbraw/zinc/15/34/92/780153492.db2.gz	WLMAZDARBZRGAZ-ZWNOBZJWSA-N	2	0	300.359	-2.427	20	0		DAADRP
O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)C1=NO[C@@H]2C[NH2+]C[C@H]12	ZINC001219834056	780153508	/nfs/dbraw/zinc/15/35/08/780153508.db2.gz	NYWRBEMAUUGQFO-NWJSVONSSA-N	2	0	324.381	-1.528	20	0		DAADRP
O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]CCCO1	ZINC001219833714	780153519	/nfs/dbraw/zinc/15/35/19/780153519.db2.gz	HOLREMUOTWYKIL-YDHLFZDLSA-N	2	0	313.398	-1.124	20	0		DAADRP
CC(=O)NCSC[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1	ZINC001219831254	780153531	/nfs/dbraw/zinc/15/35/31/780153531.db2.gz	DHAAXBHYRKYVNS-WYUUTHIRSA-N	2	0	316.427	-1.366	20	0		DAADRP
O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)C1=NO[C@@H]2C[NH2+]C[C@H]12	ZINC001219834059	780153636	/nfs/dbraw/zinc/15/36/36/780153636.db2.gz	NYWRBEMAUUGQFO-UUIJZJDISA-N	2	0	324.381	-1.528	20	0		DAADRP
[NH3+]CCC[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219834739	780153637	/nfs/dbraw/zinc/15/36/37/780153637.db2.gz	SSPZYTGLYORDJE-DYEKYZERSA-N	3	0	300.403	-1.436	20	0		DAADRP
O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C1(O)CC[NH2+]CC1	ZINC001219835164	780153685	/nfs/dbraw/zinc/15/36/85/780153685.db2.gz	YLVDXZWCTQGUDE-JSGCOSHPSA-N	2	0	313.398	-1.388	20	0		DAADRP
O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]CC12C[NH2+]C2	ZINC001219834728	780153696	/nfs/dbraw/zinc/15/36/96/780153696.db2.gz	SPHVPBVUANBDEJ-IOASZLSFSA-N	3	0	324.425	-1.693	20	0		DAADRP
[NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219836780	780154605	/nfs/dbraw/zinc/15/46/05/780154605.db2.gz	FBFNYRRANNJEAT-IPYPFGDCSA-N	3	0	314.430	-1.046	20	0		DAADRP
N[C@]1(C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CCC[NH2+]C1	ZINC001219836668	780155040	/nfs/dbraw/zinc/15/50/40/780155040.db2.gz	BSWLQIZPZBCVFW-AEGPPILISA-N	2	0	312.414	-1.421	20	0		DAADRP
C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12	ZINC001219847659	780155890	/nfs/dbraw/zinc/15/58/90/780155890.db2.gz	NZKHNEVTZMGPSV-PJSNJIKXSA-N	2	0	310.398	-1.040	20	0		DAADRP
O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1COC2(C[NH2+]C2)CN1	ZINC001219850204	780155992	/nfs/dbraw/zinc/15/59/92/780155992.db2.gz	NPPNXGZPSFQPGP-ZDEQEGDKSA-N	2	0	310.398	-1.943	20	0		DAADRP
CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21	ZINC001219852559	780157467	/nfs/dbraw/zinc/15/74/67/780157467.db2.gz	URGHOWXERPEVEG-ODXJTPSBSA-N	2	0	311.382	-1.122	20	0		DAADRP
Cn1cc2c(n1)[C@@H](CNC(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)OCC2	ZINC001219884696	780158826	/nfs/dbraw/zinc/15/88/26/780158826.db2.gz	AMPHPKJWIQTLQK-VXGBXAGGSA-N	2	0	305.382	-1.041	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCCCCC[NH+](C)C	ZINC001219920184	780162234	/nfs/dbraw/zinc/16/22/34/780162234.db2.gz	AKYSRKUSHXXWGB-QWRGUYRKSA-N	2	0	315.418	-1.458	20	0		DAADRP
CS(=O)(=O)N(C(=O)[C@H]1C[NH2+]C[C@@H]1N)c1ccc(C[NH3+])cc1	ZINC001219938901	780164816	/nfs/dbraw/zinc/16/48/16/780164816.db2.gz	IREFVACWAUXERT-RYUDHWBXSA-N	2	0	312.395	-1.015	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCCc1c[nH][nH]c1=O	ZINC001219969480	780167596	/nfs/dbraw/zinc/16/75/96/780167596.db2.gz	BIAZAGFQERVWSZ-ZYHUDNBSSA-N	2	0	310.402	-1.635	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCC[C@@H]1CCC[N@H+](C)C1	ZINC001219980506	780168507	/nfs/dbraw/zinc/16/85/07/780168507.db2.gz	JLFVRMJGLKUZPG-SRVKXCTJSA-N	2	0	300.403	-1.341	20	0		DAADRP
COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC001219974721	780168721	/nfs/dbraw/zinc/16/87/21/780168721.db2.gz	CZHOCJRLMSVCLI-QWRGUYRKSA-N	2	0	314.386	-1.277	20	0		DAADRP
COC(=O)C1(NC(=O)C[C@@H]([NH3+])CCC(N)=O)CC[NH2+]CC1	ZINC001220001019	780168768	/nfs/dbraw/zinc/16/87/68/780168768.db2.gz	DAHJMTMGDQETFR-VIFPVBQESA-N	2	0	300.359	-1.619	20	0		DAADRP
Cn1c(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c(N=O)c(=O)[nH]c1=O	ZINC001219984786	780168784	/nfs/dbraw/zinc/16/87/84/780168784.db2.gz	YRDWNBFMEWAYQA-YFKPBYRVSA-N	2	0	316.343	-1.159	20	0		DAADRP
COC(=O)C1(NC(=O)[C@H]2NC(=O)CC23C[NH2+]C3)CC[NH2+]CC1	ZINC001219999499	780168894	/nfs/dbraw/zinc/16/88/94/780168894.db2.gz	VRHXEMQTEGTNPT-SNVBAGLBSA-N	2	0	310.354	-2.124	20	0		DAADRP
COC(=O)C1(NC(=O)[C@H]2C[NH2+]C[C@@H]2OC(C)=O)CC[NH2+]CC1	ZINC001220001813	780169239	/nfs/dbraw/zinc/16/92/39/780169239.db2.gz	XPDGJZTXRAGWEQ-QWRGUYRKSA-N	2	0	313.354	-1.451	20	0		DAADRP
CCOC(=O)c1nnc(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)o1	ZINC001220011049	780170861	/nfs/dbraw/zinc/17/08/61/780170861.db2.gz	PULARYIXVNTVAD-QMMMGPOBSA-N	2	0	309.326	-1.329	20	0		DAADRP
CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)n1cnc(C[NH3+])cc1=N	ZINC001220020216	780171681	/nfs/dbraw/zinc/17/16/81/780171681.db2.gz	AVCUURFATIVDHO-JTQLQIEISA-N	2	0	324.385	-1.280	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)n1cnc(C[NH3+])cc1=N	ZINC001220020237	780171843	/nfs/dbraw/zinc/17/18/43/780171843.db2.gz	BTJGTDMIDPGFTH-XPUUQOCRSA-N	2	0	309.330	-2.831	20	0		DAADRP
COC(=O)[C@@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C1CCOCC1	ZINC001220025631	780172444	/nfs/dbraw/zinc/17/24/44/780172444.db2.gz	UCIFIVVCNHAFTF-NEPJUHHUSA-N	2	0	311.382	-1.120	20	0		DAADRP
COc1ncnc(OC)c1CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2	ZINC001220045414	780173771	/nfs/dbraw/zinc/17/37/71/780173771.db2.gz	YOTRXZMZCNTRRN-SNVBAGLBSA-N	2	0	307.354	-1.081	20	0		DAADRP
CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1	ZINC001220139957	780184298	/nfs/dbraw/zinc/18/42/98/780184298.db2.gz	YOCCNFHFMSYRLL-PRULPYPASA-N	2	0	301.412	-1.123	20	0		DAADRP
O=C(N[C@H]1COCCC12OCCO2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2	ZINC001220172836	780187605	/nfs/dbraw/zinc/18/76/05/780187605.db2.gz	CECZSZQGWFFCHB-MBNYWOFBSA-N	2	0	311.382	-1.166	20	0		DAADRP
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1	ZINC001220166499	780187770	/nfs/dbraw/zinc/18/77/70/780187770.db2.gz	COKPKWJMGZIQNR-ASHKBJFXSA-N	2	0	312.414	-1.151	20	0		DAADRP
CCOC(=O)CC1(NC(=O)[C@@H]([NH3+])CSCC[NH3+])COC1	ZINC001220215411	780190887	/nfs/dbraw/zinc/19/08/87/780190887.db2.gz	VZEQEVHOSSKIJU-VIFPVBQESA-N	2	0	305.400	-1.156	20	0		DAADRP
COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1	ZINC001220237329	780193999	/nfs/dbraw/zinc/19/39/99/780193999.db2.gz	SYXKFLYFSKLWHQ-XQQFMLRXSA-N	2	0	303.403	-1.503	20	0		DAADRP
C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O	ZINC001220237187	780194218	/nfs/dbraw/zinc/19/42/18/780194218.db2.gz	QHJXOKMUAUPFOV-OLZOCXBDSA-N	2	0	303.403	-1.502	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC[C@@H]1CCC[N@@H+]1C	ZINC001220253884	780197386	/nfs/dbraw/zinc/19/73/86/780197386.db2.gz	GKTZVLKYWBPLAQ-DCAQKATOSA-N	2	0	313.402	-1.706	20	0		DAADRP
COCCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1	ZINC001220274841	780198661	/nfs/dbraw/zinc/19/86/61/780198661.db2.gz	GGJYRMXZGYJALF-OLZOCXBDSA-N	2	0	303.403	-1.238	20	0		DAADRP
C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O	ZINC001220276435	780198780	/nfs/dbraw/zinc/19/87/80/780198780.db2.gz	AHOUUBVLSBHIOF-UPJWGTAASA-N	2	0	322.413	-1.122	20	0		DAADRP
C[N@@H+]1CCCN(CCNC(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1	ZINC001220304317	780199539	/nfs/dbraw/zinc/19/95/39/780199539.db2.gz	YCXUKBVIIWIRPN-CYBMUJFWSA-N	2	0	311.430	-1.930	20	0		DAADRP
COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1	ZINC001220297286	780200043	/nfs/dbraw/zinc/20/00/43/780200043.db2.gz	SXODHOSFOBTYGD-YIYPIFLZSA-N	2	0	317.430	-1.259	20	0		DAADRP
NC(=O)NCCC[C@@H]([NH3+])C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2	ZINC001220315198	780201219	/nfs/dbraw/zinc/20/12/19/780201219.db2.gz	AOAUSPIQEVMWAR-JTNHKYCSSA-N	2	0	313.402	-1.211	20	0		DAADRP
C[N@@H+]1CCCN(CCNC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1	ZINC001220306822	780202027	/nfs/dbraw/zinc/20/20/27/780202027.db2.gz	PDVFACPQFZVQKV-ZDUSSCGKSA-N	2	0	311.430	-1.310	20	0		DAADRP
O=C(NCc1ncn2c1C[NH2+]CCC2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1	ZINC001220310437	780202071	/nfs/dbraw/zinc/20/20/71/780202071.db2.gz	AMSPYHKXBFXRSC-SDDRHHMPSA-N	2	0	304.398	-1.058	20	0		DAADRP
O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1COC2(C[NH2+]C2)CN1	ZINC001220317226	780202594	/nfs/dbraw/zinc/20/25/94/780202594.db2.gz	WZMXNEFJCMEJRR-SGMGOOAPSA-N	2	0	310.398	-1.656	20	0		DAADRP
O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1COC2(C[NH2+]C2)CN1	ZINC001220317223	780202948	/nfs/dbraw/zinc/20/29/48/780202948.db2.gz	WZMXNEFJCMEJRR-OBJOEFQTSA-N	2	0	310.398	-1.656	20	0		DAADRP
COc1ccc(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)nn1	ZINC001220343170	780204979	/nfs/dbraw/zinc/20/49/79/780204979.db2.gz	FXAUZVHGZRTHOJ-GFCCVEGCSA-N	2	0	308.386	-1.148	20	0		DAADRP
O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2	ZINC001220428693	780213477	/nfs/dbraw/zinc/21/34/77/780213477.db2.gz	CMBCFOSVXIJZCG-NEPJUHHUSA-N	2	0	320.397	-1.366	20	0		DAADRP
NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NC[C@@H]2COCC[NH2+]2)cc1	ZINC001220428910	780213544	/nfs/dbraw/zinc/21/35/44/780213544.db2.gz	HJWOFRMEYMRFMZ-OLZOCXBDSA-N	2	0	306.366	-1.240	20	0		DAADRP
[NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NC[C@@H]1COCC[NH2+]1	ZINC001220431812	780214247	/nfs/dbraw/zinc/21/42/47/780214247.db2.gz	QNGHLNDSBBEZRO-KGLIPLIRSA-N	2	0	320.393	-1.223	20	0		DAADRP
O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2	ZINC001220429432	780214856	/nfs/dbraw/zinc/21/48/56/780214856.db2.gz	RMGIQPLFBSFUTM-GHMZBOCLSA-N	2	0	321.385	-1.971	20	0		DAADRP
CC(=O)OC[C@H]([NH3+])C(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+]	ZINC001220481709	780217496	/nfs/dbraw/zinc/21/74/96/780217496.db2.gz	OHQDWECFHUUDNL-SBFPOUOMSA-N	2	0	303.359	-1.282	20	0		DAADRP
[NH3+]CCOCCOCCNC(=O)[C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21	ZINC001220519235	780221068	/nfs/dbraw/zinc/22/10/68/780221068.db2.gz	HIWCZBXURGFUDZ-XQQFMLRXSA-N	2	0	301.387	-1.281	20	0		DAADRP
CN(CC[NH3+])CCNC(=O)[C@H]1Cn2cnnc2C12CC[NH2+]CC2	ZINC001220515481	780221189	/nfs/dbraw/zinc/22/11/89/780221189.db2.gz	DCYCQZCFLVXXGI-GFCCVEGCSA-N	2	0	321.429	-1.464	20	0		DAADRP
CN(CC[NH3+])CCNC(=O)[C@@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1	ZINC001220515760	780221851	/nfs/dbraw/zinc/22/18/51/780221851.db2.gz	JUFUJCGDQUSMPL-ZDUSSCGKSA-N	3	0	313.446	-1.554	20	0		DAADRP
[NH3+]CCOCCOCCNC(=O)[C@@H]1NC(=O)CC12C[NH2+]C2	ZINC001220519476	780222760	/nfs/dbraw/zinc/22/27/60/780222760.db2.gz	PKDOJALJGZXWBS-NSHDSACASA-N	2	0	300.359	-2.427	20	0		DAADRP
[NH3+]CCOCCOCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1	ZINC001220519664	780223137	/nfs/dbraw/zinc/22/31/37/780223137.db2.gz	XBWRZDURFNIYJP-NSHDSACASA-N	2	0	302.375	-2.037	20	0		DAADRP
[NH3+]CCOCCOCCNC(=O)[C@@H]1CCCN1C(=O)C[NH3+]	ZINC001220519245	780223545	/nfs/dbraw/zinc/22/35/45/780223545.db2.gz	HQRLGQNBSHATQQ-NSHDSACASA-N	2	0	302.375	-1.956	20	0		DAADRP
[NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCN1CC2(COC2)C1	ZINC001220570832	780228369	/nfs/dbraw/zinc/22/83/69/780228369.db2.gz	AVEQDUWJXCTBTH-CYBMUJFWSA-N	2	0	311.430	-1.815	20	0		DAADRP
COCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1	ZINC001220637332	780237452	/nfs/dbraw/zinc/23/74/52/780237452.db2.gz	BSVQNCDGYIHORM-KGLIPLIRSA-N	2	0	315.414	-1.095	20	0		DAADRP
[NH3+]CCC[C@H]([NH3+])C(=O)NCCCN1CCS(=O)(=O)CC1	ZINC001220756958	780245045	/nfs/dbraw/zinc/24/50/45/780245045.db2.gz	OZDXPEALPGEJAH-NSHDSACASA-N	2	0	306.432	-1.711	20	0		DAADRP
C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O	ZINC001220764666	780246118	/nfs/dbraw/zinc/24/61/18/780246118.db2.gz	RSOYTSSZBMXAFS-MCIONIFRSA-N	2	0	315.414	-1.238	20	0		DAADRP
COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1	ZINC001220771350	780247594	/nfs/dbraw/zinc/24/75/94/780247594.db2.gz	PJNPTRVMCRYLCL-UPJWGTAASA-N	2	0	313.398	-1.749	20	0		DAADRP
COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2	ZINC001220770496	780247630	/nfs/dbraw/zinc/24/76/30/780247630.db2.gz	XQGIHURZQHMSEE-RYUDHWBXSA-N	2	0	321.381	-1.571	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@@H]1O	ZINC001220829158	780249953	/nfs/dbraw/zinc/24/99/53/780249953.db2.gz	LAXMLLOUIGQOKJ-UPJWGTAASA-N	2	0	312.414	-1.232	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C[NH2+]C1	ZINC001220827182	780249971	/nfs/dbraw/zinc/24/99/71/780249971.db2.gz	JCHVXPJZBPIVPK-MEBBXXQBSA-N	3	0	308.382	-1.278	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@@H]1O	ZINC001220830634	780250218	/nfs/dbraw/zinc/25/02/18/780250218.db2.gz	FMVXVNRKSSUAPV-XQQFMLRXSA-N	2	0	314.430	-1.034	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C[NH2+]C1	ZINC001220830461	780250436	/nfs/dbraw/zinc/25/04/36/780250436.db2.gz	XRUSUDKIVDIIEL-CBAPKCEASA-N	2	0	314.342	-2.653	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@@H]1O	ZINC001220829527	780250847	/nfs/dbraw/zinc/25/08/47/780250847.db2.gz	WCWPGWFVLWHETJ-XQQFMLRXSA-N	2	0	303.403	-1.503	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]C[C@@H]2OC(C)=O)C[NH2+]C1	ZINC001220830169	780250934	/nfs/dbraw/zinc/25/09/34/780250934.db2.gz	QIQNHZJANCSQCF-JQWIXIFHSA-N	2	0	311.338	-1.326	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)C2(C(=O)OCC)C[NH2+]C2)C[NH2+]C1	ZINC001220828085	780251144	/nfs/dbraw/zinc/25/11/44/780251144.db2.gz	GGMILSJMCAERSY-UHFFFAOYSA-N	2	0	311.338	-1.324	20	0		DAADRP
CCOC(=O)C1=C(NC(=O)[C@H]2NC(=O)CC23C[NH2+]C3)C[NH2+]C1	ZINC001220827532	780251244	/nfs/dbraw/zinc/25/12/44/780251244.db2.gz	QZOLKGPYUPLEOQ-LLVKDONJSA-N	2	0	308.338	-1.999	20	0		DAADRP
CCC[N@H+](C)CC(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O	ZINC001220829430	780251326	/nfs/dbraw/zinc/25/13/26/780251326.db2.gz	SAWMJKLBLVZQDY-OLZOCXBDSA-N	2	0	303.403	-1.502	20	0		DAADRP
CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@@H]1O	ZINC001220826294	780251349	/nfs/dbraw/zinc/25/13/49/780251349.db2.gz	WPFSGZLLVFLANV-MJBXVCDLSA-N	2	0	317.430	-1.113	20	0		DAADRP
CSCC[C@H](NC(=O)[C@@H](N)CN1CCC([NH3+])CC1)C(N)=O	ZINC001220839843	780251373	/nfs/dbraw/zinc/25/13/73/780251373.db2.gz	DSJQIIDRSJRXSG-QWRGUYRKSA-N	2	0	317.459	-1.540	20	0		DAADRP
CCOC(=O)C1(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C[NH2+]C1	ZINC001220852874	780252742	/nfs/dbraw/zinc/25/27/42/780252742.db2.gz	ASSVVALPIQJOHG-YUMQZZPRSA-N	2	0	302.331	-3.168	20	0		DAADRP
CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CCCNC(N)=O)C[NH2+]C1	ZINC001220851063	780252765	/nfs/dbraw/zinc/25/27/65/780252765.db2.gz	GAJRRFUNNZKOKE-QMMMGPOBSA-N	2	0	301.347	-2.217	20	0		DAADRP
CCOC(=O)C1(NC(=O)c2cnc3n2CC[NH2+]CC3)C[NH2+]C1	ZINC001220853380	780252785	/nfs/dbraw/zinc/25/27/85/780252785.db2.gz	YIXJIHLRMGQBFD-UHFFFAOYSA-N	2	0	307.354	-1.336	20	0		DAADRP
CCOC(=O)C1(NC(=O)CN2CCCC[C@H]([NH3+])C2=O)C[NH2+]C1	ZINC001220851334	780252816	/nfs/dbraw/zinc/25/28/16/780252816.db2.gz	RARYPPCBYBSRQT-JTQLQIEISA-N	2	0	312.370	-1.653	20	0		DAADRP
CSCC[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C(N)=O	ZINC001220840601	780253574	/nfs/dbraw/zinc/25/35/74/780253574.db2.gz	QNSDQXJTUKNBGC-GBIKHYSHSA-N	2	0	300.428	-1.091	20	0		DAADRP
O=C(NCCN1CCNCC1=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1	ZINC001220872095	780255242	/nfs/dbraw/zinc/25/52/42/780255242.db2.gz	KCYJXNMPENTVNG-LBPRGKRZSA-N	2	0	309.414	-1.591	20	0		DAADRP
[NH3+]CCN(CCNC(=O)[C@]12C[NH2+]C[C@H]1CCN2)N(O)N=O	ZINC001220901067	780256103	/nfs/dbraw/zinc/25/61/03/780256103.db2.gz	SJVUEUUIXXIFCQ-KOLCDFICSA-N	2	0	301.351	-2.398	20	0		DAADRP
[NH3+]CCN(CCNC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2)N(O)N=O	ZINC001220900193	780256216	/nfs/dbraw/zinc/25/62/16/780256216.db2.gz	CXPAJWXIULOELJ-KKZNHRDASA-N	2	0	301.351	-2.127	20	0		DAADRP
O=C(N[C@H]1CCC[NH2+]C1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2	ZINC001220881719	780256271	/nfs/dbraw/zinc/25/62/71/780256271.db2.gz	NVCUCWRVUFSLCT-WDEREUQCSA-N	2	0	305.386	-1.208	20	0		DAADRP
O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2	ZINC001220881718	780256592	/nfs/dbraw/zinc/25/65/92/780256592.db2.gz	NVCUCWRVUFSLCT-QWRGUYRKSA-N	2	0	305.386	-1.208	20	0		DAADRP
[NH3+]CCN(CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)N(O)N=O	ZINC001220901400	780256701	/nfs/dbraw/zinc/25/67/01/780256701.db2.gz	YKWHBSSPRYEXAF-VIFPVBQESA-N	3	0	301.351	-2.540	20	0		DAADRP
N[C@@H](C[NH3+])C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1	ZINC001220898180	780256825	/nfs/dbraw/zinc/25/68/25/780256825.db2.gz	AHSXZJGTYGYHBC-ZDUSSCGKSA-N	2	0	311.430	-1.135	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)NCCN(CC[NH3+])N(O)N=O	ZINC001220902995	780258105	/nfs/dbraw/zinc/25/81/05/780258105.db2.gz	IDSWSPYYQYQQKO-QMMMGPOBSA-N	3	0	309.396	-2.330	20	0		DAADRP
[NH3+]CCN(CCNC(=O)[C@@H]1CCCN1C(=O)C[NH3+])N(O)N=O	ZINC001220903688	780258606	/nfs/dbraw/zinc/25/86/06/780258606.db2.gz	XPGOGWSKNGVQRR-VIFPVBQESA-N	2	0	317.350	-2.399	20	0		DAADRP
[NH3+][C@H]1CC[C@H](N(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C2COC2)CC1	ZINC001220930913	780260610	/nfs/dbraw/zinc/26/06/10/780260610.db2.gz	UXLOGZIOUBVGFT-OBJOEFQTSA-N	2	0	324.425	-1.186	20	0		DAADRP
O=C(NCCO[C@@H]1CC[NH2+]C1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2	ZINC001220936130	780260691	/nfs/dbraw/zinc/26/06/91/780260691.db2.gz	CVAUDJLNMTXOCZ-GHMZBOCLSA-N	2	0	317.411	-1.742	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCCO[C@@H]1CC[NH2+]C1	ZINC001220936901	780261875	/nfs/dbraw/zinc/26/18/75/780261875.db2.gz	KCENRVKCYQWLLB-AEJSXWLSSA-N	2	0	315.374	-2.812	20	0		DAADRP
CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCCO[C@@H]1CC[NH2+]C1	ZINC001220937312	780262864	/nfs/dbraw/zinc/26/28/64/780262864.db2.gz	OMZRKMXLHWLOTR-LOWVWBTDSA-N	2	0	300.403	-1.029	20	0		DAADRP
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1	ZINC001221007173	780268849	/nfs/dbraw/zinc/26/88/49/780268849.db2.gz	YQBYSNXNSLEKQK-FDYHWXHSSA-N	2	0	312.414	-1.328	20	0		DAADRP
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)C[C@@H](O)C[NH3+])CC1	ZINC001221007016	780269106	/nfs/dbraw/zinc/26/91/06/780269106.db2.gz	RQYIVRHIEFKUGK-IJLUTSLNSA-N	2	0	300.403	-1.199	20	0		DAADRP
COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1	ZINC001221089524	780274719	/nfs/dbraw/zinc/27/47/19/780274719.db2.gz	JUHNQGHTQUSWDN-XQQFMLRXSA-N	2	0	303.403	-1.505	20	0		DAADRP
COCCC1([NH3+])CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1	ZINC001221133956	780278145	/nfs/dbraw/zinc/27/81/45/780278145.db2.gz	DHPRSJAZDMABIJ-GFCCVEGCSA-N	2	0	312.414	-1.327	20	0		DAADRP
[NH3+]CC(=O)NCC(=O)NCC1(c2ccccn2)CC[NH2+]CC1	ZINC001221114192	780278574	/nfs/dbraw/zinc/27/85/74/780278574.db2.gz	QMFMJTGSBUFBEH-UHFFFAOYSA-N	2	0	305.382	-1.106	20	0		DAADRP
COC(=O)[C@H](CCC[NH3+])NC(=O)CN1CCCC[C@H]([NH3+])C1=O	ZINC001221188443	780282453	/nfs/dbraw/zinc/28/24/53/780282453.db2.gz	WGTGNZWUQNYHGL-QWRGUYRKSA-N	2	0	314.386	-1.277	20	0		DAADRP
COC(=O)[C@H](CCC[NH3+])NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1	ZINC001221190203	780283331	/nfs/dbraw/zinc/28/33/31/780283331.db2.gz	FLXOWDHJMRZXKL-UWVGGRQHSA-N	2	0	300.359	-1.749	20	0		DAADRP
COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@H]1OC(C)=O	ZINC001221190401	780283865	/nfs/dbraw/zinc/28/38/65/780283865.db2.gz	MDRHAROVWHZQRW-OUAUKWLOSA-N	2	0	301.343	-1.466	20	0		DAADRP
COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)C[NH3+]	ZINC001221190267	780284716	/nfs/dbraw/zinc/28/47/16/780284716.db2.gz	GWHCCCMYWOLDQT-QWRGUYRKSA-N	2	0	316.402	-1.127	20	0		DAADRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@]1(C)CCC[N@H+](C)C1	ZINC001221244317	780285645	/nfs/dbraw/zinc/28/56/45/780285645.db2.gz	WGJAMDVPQONLSJ-BHDSKKPTSA-N	2	0	313.402	-1.706	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)NCC(=O)NCC(F)(F)F	ZINC001221277913	780288263	/nfs/dbraw/zinc/28/82/63/780288263.db2.gz	BGHUSDQYCQHETJ-LURJTMIESA-N	2	0	302.322	-1.200	20	0		DAADRP
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCCCC[NH3+]	ZINC001221349449	780292070	/nfs/dbraw/zinc/29/20/70/780292070.db2.gz	XKMPBYJCAOLEDF-QWRGUYRKSA-N	2	0	313.402	-1.704	20	0		DAADRP
C[NH+]1CCC(CO)(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1	ZINC001221407379	780294027	/nfs/dbraw/zinc/29/40/27/780294027.db2.gz	YEUUJABMZQSQNP-ZDUSSCGKSA-N	3	0	313.446	-1.690	20	0		DAADRP
CN(C[C@@H]1CCN1CCOCCO)C(=O)[C@H]1CN(C)CCO1	ZINC001231368819	780381853	/nfs/dbraw/zinc/38/18/53/780381853.db2.gz	OMPUDKGSNXUSMN-UONOGXRCSA-N	2	0	315.414	-1.141	20	0		DAADRP
COC(=O)c1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)nn1C	ZINC001235872972	780419652	/nfs/dbraw/zinc/41/96/52/780419652.db2.gz	DRABWGAEVUSVGJ-UHFFFAOYSA-N	2	0	324.429	-1.209	20	0		DAADRP
Cn1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(=O)n(C)c1=O	ZINC001235871266	780419679	/nfs/dbraw/zinc/41/96/79/780419679.db2.gz	TTYHKVFRMSQRIY-UHFFFAOYSA-N	2	0	324.429	-2.332	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cnc2n1CCNC2	ZINC001236316737	780421809	/nfs/dbraw/zinc/42/18/09/780421809.db2.gz	UNDPMDZBKADQSS-UHFFFAOYSA-N	2	0	323.445	-1.398	20	0		DAADRP
CCOC(=O)C[C@@]1(NS(=O)(=O)[C@@H]2CC[NH2+]C2)CC[NH2+]C1	ZINC001238220489	780436264	/nfs/dbraw/zinc/43/62/64/780436264.db2.gz	LASOYWHXNLBOGX-PWSUYJOCSA-N	2	0	305.400	-1.047	20	0		DAADRP
O=S(=O)(NCc1nnn2c1C[NH2+]CCC2)C1CC[NH2+]CC1	ZINC001238248187	780436587	/nfs/dbraw/zinc/43/65/87/780436587.db2.gz	QOZMFQVDWMQTKB-UHFFFAOYSA-N	2	0	314.415	-1.057	20	0		DAADRP
O=S(=O)(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CC[NH2+]C1	ZINC001238328719	780436642	/nfs/dbraw/zinc/43/66/42/780436642.db2.gz	TYRIAKPVFHZCAT-UPJWGTAASA-N	2	0	319.427	-1.337	20	0		DAADRP
O=S(=O)(N[C@H]1CCS(=O)(=O)C12C[NH2+]C2)[C@@H]1CC[NH2+]C1	ZINC001238244997	780436679	/nfs/dbraw/zinc/43/66/79/780436679.db2.gz	ZEDXOCFXKLUTAV-BDAKNGLRSA-N	2	0	309.413	-2.203	20	0		DAADRP
CNC(=O)[C@H](CCCC[NH3+])NS(=O)(=O)C1CC[NH2+]CC1	ZINC001238917610	780440459	/nfs/dbraw/zinc/44/04/59/780440459.db2.gz	NMCMXLHKHXUZAI-NSHDSACASA-N	2	0	306.432	-1.099	20	0		DAADRP
O=S(=O)([C@H]1CC[NH2+]C1)N1CCOC[C@]2(C[NH2+]CCO2)C1	ZINC001238999249	780440536	/nfs/dbraw/zinc/44/05/36/780440536.db2.gz	HZOKQWFOGFEHHM-RYUDHWBXSA-N	2	0	305.400	-1.631	20	0		DAADRP
O=S(=O)(CC1CC[NH2+]CC1)N1CCN2CC[NH2+]C[C@H]2C1	ZINC001239020654	780441223	/nfs/dbraw/zinc/44/12/23/780441223.db2.gz	QXIAUCHTGGVCFU-ZDUSSCGKSA-N	2	0	302.444	-1.095	20	0		DAADRP
O=S(=O)([C@H]1CC[NH2+]C1)N1CCCO[C@]2(C[NH2+]CCOC2)C1	ZINC001239043544	780441245	/nfs/dbraw/zinc/44/12/45/780441245.db2.gz	DSPYZSKRNOOOIV-QWHCGFSZSA-N	2	0	319.427	-1.241	20	0		DAADRP
O=S(=O)([C@H]1CC[NH2+]C1)N1CCOC[C@@]2(C[NH2+]CCO2)C1	ZINC001238999247	780441389	/nfs/dbraw/zinc/44/13/89/780441389.db2.gz	HZOKQWFOGFEHHM-NWDGAFQWSA-N	2	0	305.400	-1.631	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1cn[nH]c1	ZINC001239131843	780443866	/nfs/dbraw/zinc/44/38/66/780443866.db2.gz	VXSXYFFDSYMUNC-UHFFFAOYSA-N	2	0	318.403	-1.786	20	0		DAADRP
COC(=O)CNC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+]	ZINC001239449902	780445370	/nfs/dbraw/zinc/44/53/70/780445370.db2.gz	BOXHXLUPWZVJLY-UHFFFAOYSA-N	2	0	319.431	-1.850	20	0		DAADRP
O[C@H](C[NH2+]C[C@H]1C[C@H]2C[NH2+]CCN2C1)CC1(O)CC[NH2+]CC1	ZINC001245982030	780447673	/nfs/dbraw/zinc/44/76/73/780447673.db2.gz	CBTBYCBVGJIFNI-ILXRZTDVSA-N	3	0	312.458	-1.265	20	0		DAADRP
COC(=O)[C@H](NC[C@H](O)CC1(O)CC[NH2+]CC1)[C@@H]1CC[NH2+]C1	ZINC001246016196	780447742	/nfs/dbraw/zinc/44/77/42/780447742.db2.gz	SWSQAGZPCMRPDJ-JHJVBQTASA-N	2	0	315.414	-1.407	20	0		DAADRP
CCOC(=O)C1=C(NC[C@H](O)CC2(O)CC[NH2+]CC2)C[NH2+]C1	ZINC001246010998	780448001	/nfs/dbraw/zinc/44/80/01/780448001.db2.gz	PKQLTVREXNBNPD-LLVKDONJSA-N	2	0	313.398	-1.138	20	0		DAADRP
O[C@@H](C[N@@H+]1CCNC2(CC[NH2+]CC2)C1)CC1(O)CC[NH2+]CC1	ZINC001246033333	780448029	/nfs/dbraw/zinc/44/80/29/780448029.db2.gz	UZNJLJXMITVXPA-CQSZACIVSA-N	3	0	312.458	-1.121	20	0		DAADRP
COC(=O)C1(NC[C@@H](O)CC2(O)CC[NH2+]CC2)CC[NH2+]CC1	ZINC001245987909	780448261	/nfs/dbraw/zinc/44/82/61/780448261.db2.gz	MXXCRDJYQOJTNG-LBPRGKRZSA-N	2	0	315.414	-1.263	20	0		DAADRP
[NH3+]C1CCN(CC[NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)CC1	ZINC001246004267	780448312	/nfs/dbraw/zinc/44/83/12/780448312.db2.gz	BIXKMRXFCIJSLI-CQSZACIVSA-N	3	0	300.447	-1.135	20	0		DAADRP
O[C@@H](CN1CCN[C@H]2CC[NH2+]CC[C@@H]21)CC1(O)CC[NH2+]CC1	ZINC001246025437	780448373	/nfs/dbraw/zinc/44/83/73/780448373.db2.gz	REFGIZYWAVIHTG-ILXRZTDVSA-N	2	0	312.458	-1.122	20	0		DAADRP
CCOC(=O)C1(NC[C@@H](O)CC2(O)CC[NH2+]CC2)C[NH2+]C1	ZINC001246011746	780448464	/nfs/dbraw/zinc/44/84/64/780448464.db2.gz	SZKRJPDPWAKBAB-NSHDSACASA-N	2	0	301.387	-1.653	20	0		DAADRP
COC(=O)C[C@@H]1C[NH2+]CCN1C[C@@H](O)CC1(O)CC[NH2+]CC1	ZINC001246047959	780449147	/nfs/dbraw/zinc/44/91/47/780449147.db2.gz	YNYBBTUIEBQKBF-OLZOCXBDSA-N	2	0	315.414	-1.311	20	0		DAADRP
[NH3+]C1CN([C@H]2CCC[N@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C2)C1	ZINC001246046893	780449303	/nfs/dbraw/zinc/44/93/03/780449303.db2.gz	APCQXTNPHLTQOI-GJZGRUSLSA-N	3	0	312.458	-1.041	20	0		DAADRP
C[N@H+](CCN1CC[NH2+]CC1)C[C@H](O)CC1(O)CC[NH2+]CC1	ZINC001246048510	780449310	/nfs/dbraw/zinc/44/93/10/780449310.db2.gz	IVLWFJYEVUWUNF-CQSZACIVSA-N	3	0	300.447	-1.311	20	0		DAADRP
CCOC(=O)CN(CC[NH3+])C[C@@H](O)CC1(O)CC[NH2+]CC1	ZINC001246042432	780449350	/nfs/dbraw/zinc/44/93/50/780449350.db2.gz	AWTBQJLUKYZHAE-LBPRGKRZSA-N	2	0	303.403	-1.324	20	0		DAADRP
CCCOC[C@H](O)CN(CCC[NH3+])CC(=O)NCCC[NH3+]	ZINC001246050844	780449413	/nfs/dbraw/zinc/44/94/13/780449413.db2.gz	GJILDIBUVHXHEX-CYBMUJFWSA-N	2	0	304.435	-1.110	20	0		DAADRP
CC(C)(C)[NH2+]C[C@@H](O)CN(CCC[NH3+])CC(=O)NCCC[NH3+]	ZINC001246055630	780449435	/nfs/dbraw/zinc/44/94/35/780449435.db2.gz	SIYXEZCSMPJKCQ-CYBMUJFWSA-N	3	0	317.478	-1.149	20	0		DAADRP
COC(=O)[C@H](C[NH3+])N[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1	ZINC001246086184	780449451	/nfs/dbraw/zinc/44/94/51/780449451.db2.gz	VTMGNZNHIIDHGU-UTLUCORTSA-N	2	0	302.400	-1.660	20	0		DAADRP
COC(=O)[C@@]1(N)CC[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1	ZINC001246056450	780449490	/nfs/dbraw/zinc/44/94/90/780449490.db2.gz	VPGUEGDCPBYALS-SMDDNHRTSA-N	2	0	301.387	-1.572	20	0		DAADRP
CC(C)(C)OC(=O)[C@@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1	ZINC001246056794	780449615	/nfs/dbraw/zinc/44/96/15/780449615.db2.gz	PMONHIVKMRTHRI-ZDUSSCGKSA-N	2	0	316.446	-1.227	20	0		DAADRP
O=C([C@@H]1C[C@@H](N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)C[NH2+]1)N1CCSC1	ZINC001246151249	780450676	/nfs/dbraw/zinc/45/06/76/780450676.db2.gz	HLCCTLAEFKIQPT-BNDIWNMDSA-N	2	0	312.439	-1.031	20	0		DAADRP
O=c1cc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)nc2n1CCCNC2	ZINC001246128880	780450729	/nfs/dbraw/zinc/45/07/29/780450729.db2.gz	CEIJRZIBUNCAHH-GFCCVEGCSA-N	2	0	318.425	-1.080	20	0		DAADRP
O=S1(=O)CC[C@@H]([NH2+][C@H]2CSC3(C[NH2+]C3)C2)C12CNC2	ZINC001246147026	780450968	/nfs/dbraw/zinc/45/09/68/780450968.db2.gz	PEDZZHFIXVDPFC-NXEZZACHSA-N	2	0	303.453	-1.047	20	0		DAADRP
O=C([C@@H]1C[C@H](NC[C@H]2C[NH2+]C[C@H]2O)C[NH2+]1)N1CCSC1	ZINC001246117935	780451037	/nfs/dbraw/zinc/45/10/37/780451037.db2.gz	NODQUPVJHKWHDD-NOOOWODRSA-N	2	0	300.428	-1.580	20	0		DAADRP
O=S1(=O)CC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C12CNC2	ZINC001246140194	780451129	/nfs/dbraw/zinc/45/11/29/780451129.db2.gz	FZPKSOVVYBGFIJ-QWRGUYRKSA-N	2	0	300.428	-1.801	20	0		DAADRP
COC(=O)[C@H]1C[C@H]([NH2+]C[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)CN1	ZINC001246147605	780451138	/nfs/dbraw/zinc/45/11/38/780451138.db2.gz	YUNOGQLLGXGBSG-RMRHIDDWSA-N	2	0	313.398	-1.125	20	0		DAADRP
O=S(=O)(CC[NH2+][C@H]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCNCC1	ZINC001246104455	780451424	/nfs/dbraw/zinc/45/14/24/780451424.db2.gz	XRKBUUKPHOONFI-CLLJXQQHSA-N	2	0	302.444	-1.191	20	0		DAADRP
COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@H]1CCNC2(C[NH2+]C2)C1	ZINC001246215349	780452272	/nfs/dbraw/zinc/45/22/72/780452272.db2.gz	SNYWEMNNCYMQFZ-QWRGUYRKSA-N	2	0	312.418	-1.525	20	0		DAADRP
O=C([C@@H]1C[C@@H](N[C@]2(CCO)CC[NH2+]C2)C[NH2+]1)N1CCSC1	ZINC001246295834	780452368	/nfs/dbraw/zinc/45/23/68/780452368.db2.gz	PPNRLGWKELFMSA-DYEKYZERSA-N	2	0	314.455	-1.046	20	0		DAADRP
COC(=O)[C@H]1C[C@H]([NH2+]CCOCCOCCOCC[NH3+])CN1	ZINC001246289193	780452379	/nfs/dbraw/zinc/45/23/79/780452379.db2.gz	NVGSNLHBBJJXKX-QWHCGFSZSA-N	2	0	319.402	-1.512	20	0		DAADRP
O=C([C@@H]1C[C@H](N[C@]2(CO)CC[NH2+]C2)C[NH2+]1)N1CCSC1	ZINC001246286872	780452689	/nfs/dbraw/zinc/45/26/89/780452689.db2.gz	HZSUABGRAMUYCB-GMXVVIOVSA-N	2	0	300.428	-1.436	20	0		DAADRP
O=C([C@@H]1C[C@H](NC[C@]2(O)CC[NH2+]C2)C[NH2+]1)N1CCSC1	ZINC001246217931	780453185	/nfs/dbraw/zinc/45/31/85/780453185.db2.gz	NTBQLAIYBMFHOR-GVXVVHGQSA-N	2	0	300.428	-1.436	20	0		DAADRP
O=C([C@@H]1C[C@@H](N[C@H]2C[NH2+][C@@H](CO)C2)C[NH2+]1)N1CCSC1	ZINC001246261081	780453191	/nfs/dbraw/zinc/45/31/91/780453191.db2.gz	JPPYKLVDOFCOIK-KKOKHZNYSA-N	2	0	300.428	-1.438	20	0		DAADRP
[NH3+]CC1(N[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]CC1	ZINC001246235810	780453243	/nfs/dbraw/zinc/45/32/43/780453243.db2.gz	LPIHDTTWSFHDQQ-NEPJUHHUSA-N	3	0	313.471	-1.080	20	0		DAADRP
CC(C)[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(N)=O	ZINC001246480158	780454203	/nfs/dbraw/zinc/45/42/03/780454203.db2.gz	CLAIPQALXYGKQV-TUAOUCFPSA-N	2	0	311.430	-1.315	20	0		DAADRP
O=S1(=O)CCN(CCC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1	ZINC001246335749	780454371	/nfs/dbraw/zinc/45/43/71/780454371.db2.gz	LXLWGOLJHAPKCF-ZDUSSCGKSA-N	2	0	316.471	-1.210	20	0		DAADRP
O=C1C=CC(=O)N1CCOCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1	ZINC001246355084	780454555	/nfs/dbraw/zinc/45/45/55/780454555.db2.gz	HYCJAYAIOLMADC-LBPRGKRZSA-N	2	0	308.382	-1.388	20	0		DAADRP
[NH3+]C[C@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@H]1O	ZINC001246579468	780454975	/nfs/dbraw/zinc/45/49/75/780454975.db2.gz	JIHOUAIGBDSCBS-FIQHERPVSA-N	2	0	300.428	-1.499	20	0		DAADRP
[NH3+]C[C@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@@H]1O	ZINC001246583287	780455495	/nfs/dbraw/zinc/45/54/95/780455495.db2.gz	JIHOUAIGBDSCBS-BJDJZHNGSA-N	2	0	300.428	-1.499	20	0		DAADRP
O=C([C@@H]1C[C@H](N2CCOCC23C[NH2+]C3)C[NH2+]1)N1CCSC1	ZINC001246637267	780455545	/nfs/dbraw/zinc/45/55/45/780455545.db2.gz	NANSYQJYMRJCSB-RYUDHWBXSA-N	2	0	312.439	-1.076	20	0		DAADRP
[NH3+]C[C@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@H]1O	ZINC001246579481	780455628	/nfs/dbraw/zinc/45/56/28/780455628.db2.gz	JIHOUAIGBDSCBS-WHOHXGKFSA-N	2	0	300.428	-1.499	20	0		DAADRP
C[C@@H]1O[C@@H](OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](O)[C@H](O)[C@@H]1O	ZINC001246525119	780455829	/nfs/dbraw/zinc/45/58/29/780455829.db2.gz	MHDGZLQIOMJMON-DXFKDOMKSA-N	2	0	316.398	-1.297	20	0		DAADRP
O=C([C@@H]1C[C@@H](N2CC3(C2)C[NH2+]CCO3)C[NH2+]1)N1CCSC1	ZINC001246625627	780455989	/nfs/dbraw/zinc/45/59/89/780455989.db2.gz	SXTGIWDDWXTAOR-NEPJUHHUSA-N	2	0	312.439	-1.076	20	0		DAADRP
O=C([C@@H]1C[C@@H](N2CC[NH2+]C[C@@H]2CO)C[NH2+]1)N1CCSC1	ZINC001246700284	780456925	/nfs/dbraw/zinc/45/69/25/780456925.db2.gz	PIKPHCWRCNURKW-UTUOFQBUSA-N	2	0	300.428	-1.484	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])[C@@H]1CCOC2(C[NH2+]C2)C1	ZINC001246920249	780458002	/nfs/dbraw/zinc/45/80/02/780458002.db2.gz	LKMMVIQBHLWIIU-CYBMUJFWSA-N	3	0	313.446	-1.377	20	0		DAADRP
[NH3+]CCCNC(=O)CN(CCC[NH3+])[C@H]1CCOC2(C[NH2+]C2)C1	ZINC001246920252	780458158	/nfs/dbraw/zinc/45/81/58/780458158.db2.gz	LKMMVIQBHLWIIU-ZDUSSCGKSA-N	3	0	313.446	-1.377	20	0		DAADRP
O=S1(=O)CCC(N2CC[NH2+]CCNCC[NH2+]CC2)CC1	ZINC001246824561	780458287	/nfs/dbraw/zinc/45/82/87/780458287.db2.gz	YYMMNXXVCVLUNE-UHFFFAOYSA-N	2	0	304.460	-1.352	20	0		DAADRP
O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@H]1C[NH2+]CC[C@@H]1F)O3	ZINC001247007125	780458640	/nfs/dbraw/zinc/45/86/40/780458640.db2.gz	BNGIAVCDENVABY-DGORSVRFSA-N	2	0	305.375	-1.169	20	0		DAADRP
O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@@H]1CC[NH2+]C[C@@H]1F)O3	ZINC001247012882	780459195	/nfs/dbraw/zinc/45/91/95/780459195.db2.gz	UZQABXDVOFQANN-LVEVGFFFSA-N	2	0	305.375	-1.169	20	0		DAADRP
O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@H]1CC[NH2+]C[C@H]1F)O3	ZINC001247012606	780459760	/nfs/dbraw/zinc/45/97/60/780459760.db2.gz	UZQABXDVOFQANN-GCHJQGSQSA-N	2	0	305.375	-1.169	20	0		DAADRP
C[NH+]1CCN(CCC[NH2+]C[C@@H](O)CN2CCOCC2)CC1	ZINC001251002302	780463795	/nfs/dbraw/zinc/46/37/95/780463795.db2.gz	BELOYTSMFWOAFA-OAHLLOKOSA-N	2	0	300.447	-1.093	20	0		DAADRP
CS(=O)(=O)N1CCC([NH2+]CCN(CC[NH3+])N(O)N=O)CC1	ZINC001257229806	780513118	/nfs/dbraw/zinc/51/31/18/780513118.db2.gz	ONVRBJBZVCEBAR-UHFFFAOYSA-N	2	0	324.407	-1.452	20	0		DAADRP
CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O	ZINC001258902734	780523827	/nfs/dbraw/zinc/52/38/27/780523827.db2.gz	YXYFMKZXXKMGDW-QFEQQRJNSA-N	2	0	320.430	-1.114	20	0		DAADRP
[NH3+]CC1(CCNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1	ZINC001261554364	780549164	/nfs/dbraw/zinc/54/91/64/780549164.db2.gz	BYIQTVJAIAUVIL-NWDGAFQWSA-N	2	0	310.398	-1.491	20	0		DAADRP
COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1	ZINC001262067117	780566789	/nfs/dbraw/zinc/56/67/89/780566789.db2.gz	SOZNMKYGOOOSJU-TXEJJXNPSA-N	2	0	300.403	-1.076	20	0		DAADRP
O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCNCC[NH2+]CC1	ZINC001262544791	780574517	/nfs/dbraw/zinc/57/45/17/780574517.db2.gz	KPXBHLWEUVUVIB-KGLIPLIRSA-N	2	0	323.441	-1.249	20	0		DAADRP
CN(CCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)S(C)(=O)=O	ZINC001262557568	780575527	/nfs/dbraw/zinc/57/55/27/780575527.db2.gz	GFTKOWQMMGIBHG-CYBMUJFWSA-N	2	0	322.475	-1.534	20	0		DAADRP
COCC[N@H+](C)C[C@@H](O)CN1CCN([C@H]2CC[NH2+]C2)CC1	ZINC000386978568	780582843	/nfs/dbraw/zinc/58/28/43/780582843.db2.gz	SBBPMVSVUJTYIC-LSDHHAIUSA-N	2	0	300.447	-1.095	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1	ZINC001265570310	780604504	/nfs/dbraw/zinc/60/45/04/780604504.db2.gz	YQNRFDXBACLQPI-SDDRHHMPSA-N	2	0	318.443	-1.276	20	0		DAADRP
CNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1	ZINC001265971681	780615956	/nfs/dbraw/zinc/61/59/56/780615956.db2.gz	XBIMNUXRKGVGEH-LLVKDONJSA-N	2	0	313.402	-1.168	20	0		DAADRP
CC1CC[NH+](CC(=O)N(CCO)CC[NH2+]CC(N)=O)CC1	ZINC001279869524	780628086	/nfs/dbraw/zinc/62/80/86/780628086.db2.gz	RMDINWMHCXTMOY-UHFFFAOYSA-N	2	0	300.403	-1.386	20	0		DAADRP
C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCNS(C)(=O)=O	ZINC001281769969	780691128	/nfs/dbraw/zinc/69/11/28/780691128.db2.gz	BMIJLOHWAPJGRN-NWDGAFQWSA-N	2	0	320.459	-1.028	20	0		DAADRP
NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC001091150829	781379006	/nfs/dbraw/zinc/37/90/06/781379006.db2.gz	AWXTVWIYMPQGFQ-PCPABOIYSA-N	2	0	322.409	-1.181	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCCC[NH2+]CC(=O)N1CCC1	ZINC001171198665	781379081	/nfs/dbraw/zinc/37/90/81/781379081.db2.gz	RBOZDXCGHLRJET-UHFFFAOYSA-N	2	0	300.403	-1.107	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCCC[NH2+][C@H]1CCCNC1=O	ZINC001171204563	781381733	/nfs/dbraw/zinc/38/17/33/781381733.db2.gz	CISPRLXOYPJLCR-LBPRGKRZSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCCC[NH2+][C@@H]1CCCNC1=O	ZINC001171204561	781382002	/nfs/dbraw/zinc/38/20/02/781382002.db2.gz	CISPRLXOYPJLCR-GFCCVEGCSA-N	2	0	300.403	-1.061	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O	ZINC001171204652	781382284	/nfs/dbraw/zinc/38/22/84/781382284.db2.gz	DSZXJKFVTGACKL-NSHDSACASA-N	2	0	314.386	-1.534	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C	ZINC001171206060	781382401	/nfs/dbraw/zinc/38/24/01/781382401.db2.gz	YVGYXTLNPLPHKX-UHFFFAOYSA-N	2	0	317.390	-1.884	20	0		DAADRP
CN1CC[C@@H]([NH2+]CCCNC(=O)COCC[NH+](C)C)C1=O	ZINC001171216866	781384692	/nfs/dbraw/zinc/38/46/92/781384692.db2.gz	KEBIBCFDUJNJPE-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
[NH3+]CCSC[C@H]([NH3+])C(=O)N1CCN2C(=O)COC[C@H]2C1	ZINC001160791212	781406592	/nfs/dbraw/zinc/40/65/92/781406592.db2.gz	ZIXCRDLDTVPVGU-ZJUUUORDSA-N	2	0	302.400	-1.925	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O	ZINC001147848916	781458186	/nfs/dbraw/zinc/45/81/86/781458186.db2.gz	YUMFXRNYLLKZSJ-SNVBAGLBSA-N	2	0	300.359	-1.924	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C	ZINC001147892927	781458503	/nfs/dbraw/zinc/45/85/03/781458503.db2.gz	KZZOIBBSDFLEGH-SNVBAGLBSA-N	2	0	317.390	-1.886	20	0		DAADRP
CN1CCC[C@@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C1=O	ZINC001147848407	781458989	/nfs/dbraw/zinc/45/89/89/781458989.db2.gz	NQIFKSSCYCHFSK-GFCCVEGCSA-N	2	0	300.403	-1.109	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CCNS(C)(=O)=O)C1	ZINC001147893356	781458773	/nfs/dbraw/zinc/45/87/73/781458773.db2.gz	OQLRTCSYWWCJGQ-NSHDSACASA-N	2	0	306.432	-1.417	20	0		DAADRP
C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)Nc1ccon1	ZINC001147893784	781458818	/nfs/dbraw/zinc/45/88/18/781458818.db2.gz	SWIPWQAPJXXUDF-UHFFFAOYSA-N	2	0	313.358	-1.103	20	0		DAADRP
C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1	ZINC001147891927	781459011	/nfs/dbraw/zinc/45/90/11/781459011.db2.gz	DZQJWRNYXWECIZ-LLVKDONJSA-N	2	0	311.386	-1.414	20	0		DAADRP
O=C(C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2)N1CCNC(=O)C1	ZINC001147977029	781460229	/nfs/dbraw/zinc/46/02/29/781460229.db2.gz	GREUMDMFNAFPKO-UHFFFAOYSA-N	2	0	323.397	-2.254	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001147899982	781460714	/nfs/dbraw/zinc/46/07/14/781460714.db2.gz	FTMFXFRYTCRGAL-MNOVXSKESA-N	2	0	313.402	-1.122	20	0		DAADRP
CC(=O)NCCOCC[NH2+]CCNC(=O)C12CC[NH+](CC1)C2	ZINC001147977416	781461115	/nfs/dbraw/zinc/46/11/15/781461115.db2.gz	RZMCZIQPOBIQFM-UHFFFAOYSA-N	2	0	312.414	-1.059	20	0		DAADRP
CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]CC(=O)NC(N)=O	ZINC001148051489	781463427	/nfs/dbraw/zinc/46/34/27/781463427.db2.gz	LCRMILJSGPLILS-UHFFFAOYSA-N	2	0	308.342	-1.338	20	0		DAADRP
CS(=O)(=O)NCC[NH2+]CCNC(=O)C12CC[NH+](CC1)C2	ZINC001147994915	781463509	/nfs/dbraw/zinc/46/35/09/781463509.db2.gz	VGLVBWJABZQCRF-UHFFFAOYSA-N	2	0	304.416	-1.663	20	0		DAADRP
CCC[N@H+](C)CCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O	ZINC001148577862	781475532	/nfs/dbraw/zinc/47/55/32/781475532.db2.gz	GZFJYJGGLNTSQY-UHFFFAOYSA-N	2	0	313.402	-1.024	20	0		DAADRP
C[NH+](C)CCOCC(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCNC1=O)C2	ZINC001148605763	781476500	/nfs/dbraw/zinc/47/65/00/781476500.db2.gz	UQWQWQDCCHOWKJ-CYBMUJFWSA-N	2	0	324.425	-1.013	20	0		DAADRP
CCC[N@H+](C)CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O	ZINC001148639078	781476767	/nfs/dbraw/zinc/47/67/67/781476767.db2.gz	ZSHNGRGUTCGCED-UHFFFAOYSA-N	2	0	308.448	-1.075	20	0		DAADRP
C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@H]1CCNC1=O	ZINC001176153113	781613438	/nfs/dbraw/zinc/61/34/38/781613438.db2.gz	PENMPQQKJICSQY-OLZOCXBDSA-N	2	0	312.414	-1.061	20	0		DAADRP
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001176063273	781613847	/nfs/dbraw/zinc/61/38/47/781613847.db2.gz	APDBBKSOTXNDJS-GHMZBOCLSA-N	2	0	313.402	-1.122	20	0		DAADRP
CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001176071046	781614034	/nfs/dbraw/zinc/61/40/34/781614034.db2.gz	BIIMRARBGYULEB-NSHDSACASA-N	2	0	313.402	-1.120	20	0		DAADRP
C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)C1	ZINC001176055958	781614112	/nfs/dbraw/zinc/61/41/12/781614112.db2.gz	CIMVFEXKTJSNRR-NSHDSACASA-N	2	0	311.386	-1.414	20	0		DAADRP
CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O	ZINC001176975731	781628774	/nfs/dbraw/zinc/62/87/74/781628774.db2.gz	WBUWNZYLPKMERE-UHFFFAOYSA-N	2	0	313.402	-1.026	20	0		DAADRP
C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C12CC[NH+](CC1)C2	ZINC001179929353	781665558	/nfs/dbraw/zinc/66/55/58/781665558.db2.gz	JWENZDABPRYMMV-QWRGUYRKSA-N	2	0	323.397	-1.144	20	0		DAADRP
CS(=O)(=O)N(CC[NH3+])C(=O)CC[NH+]1CCC(C(N)=O)CC1	ZINC001180607926	781676432	/nfs/dbraw/zinc/67/64/32/781676432.db2.gz	OHDNCAIHYKMIBX-UHFFFAOYSA-N	2	0	320.415	-1.679	20	0		DAADRP
CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001151044065	781687861	/nfs/dbraw/zinc/68/78/61/781687861.db2.gz	NEZYGOIHQZFOBO-GHMZBOCLSA-N	2	0	313.402	-1.122	20	0		DAADRP
COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001151049514	781689345	/nfs/dbraw/zinc/68/93/45/781689345.db2.gz	RALJYJNFBBZJJX-LBPRGKRZSA-N	2	0	300.403	-1.203	20	0		DAADRP
COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001151049513	781689753	/nfs/dbraw/zinc/68/97/53/781689753.db2.gz	RALJYJNFBBZJJX-GFCCVEGCSA-N	2	0	300.403	-1.203	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1	ZINC001181652097	781690925	/nfs/dbraw/zinc/69/09/25/781690925.db2.gz	ISYSTOZHXCAYHM-GHMZBOCLSA-N	2	0	311.386	-1.273	20	0		DAADRP
O=C(C[NH+]1CCCC1)NCC[NH2+]CC(=O)N1CCNC(=O)C1	ZINC001151098068	781702186	/nfs/dbraw/zinc/70/21/86/781702186.db2.gz	TZYMKZKKHXNFQR-UHFFFAOYSA-N	2	0	311.386	-2.254	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1	ZINC001185248287	781757717	/nfs/dbraw/zinc/75/77/17/781757717.db2.gz	BDQKVZHOWNRHNT-LLVKDONJSA-N	2	0	313.402	-1.026	20	0		DAADRP
C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001187115880	781795397	/nfs/dbraw/zinc/79/53/97/781795397.db2.gz	UVCFIIUZQADGQV-SNVBAGLBSA-N	2	0	315.374	-2.050	20	0		DAADRP
NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001187122096	781795549	/nfs/dbraw/zinc/79/55/49/781795549.db2.gz	OPYXYEDQQPTYMG-SNVBAGLBSA-N	2	0	309.370	-1.532	20	0		DAADRP
C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001187083347	781795859	/nfs/dbraw/zinc/79/58/59/781795859.db2.gz	FJKARKLRTPEILX-WDEREUQCSA-N	2	0	311.386	-1.286	20	0		DAADRP
CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001187122715	781795976	/nfs/dbraw/zinc/79/59/76/781795976.db2.gz	ZTEZVNFJXVGMPV-LLVKDONJSA-N	2	0	323.397	-1.272	20	0		DAADRP
CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1	ZINC001187291230	781796982	/nfs/dbraw/zinc/79/69/82/781796982.db2.gz	NUFLBLKXNGVTIM-LLVKDONJSA-N	2	0	313.402	-1.026	20	0		DAADRP
C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2CN(CC(=O)NC3CC3)C[C@H]21	ZINC001115126443	781913131	/nfs/dbraw/zinc/91/31/31/781913131.db2.gz	NOGMBOKCFXYBOA-VIKVFOODSA-N	2	0	324.425	-1.110	20	0		DAADRP