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](NCC(=O)NC(N)=O)C2)C1	ZINC001376913001	921746450	/nfs/dbraw/zinc/74/64/50/921746450.db2.gz	UDVWYKSSTOVOCJ-QWRGUYRKSA-N	1	3	311.386	-1.286	20	0		DAADHO
C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)C1	ZINC001376913001	921746463	/nfs/dbraw/zinc/74/64/63/921746463.db2.gz	UDVWYKSSTOVOCJ-QWRGUYRKSA-N	1	3	311.386	-1.286	20	0		DAADHO
CC[C@H](C(=O)N(C)CC[NH2+]CCN1C(=O)CNC1=O)N(C)C	ZINC001266741120	916181083	/nfs/dbraw/zinc/18/10/83/916181083.db2.gz	KNIXZFVUTAAVNK-LLVKDONJSA-N	1	3	313.402	-1.074	20	0		DAADHO
C[NH+](C)CCC(=O)NC[C@H](O)CN[C@@H]1CCC(=O)NC1=O	ZINC001320271653	916492222	/nfs/dbraw/zinc/49/22/22/916492222.db2.gz	UATLTZLXSHFWGX-NXEZZACHSA-N	1	3	300.359	-2.190	20	0		DAADHO
C[C@H]1CC[N@H+](CC(=O)NC/C=C\CNCC(=O)NC(N)=O)C1	ZINC001321249147	916560353	/nfs/dbraw/zinc/56/03/53/916560353.db2.gz	IZCCMVPMTZSFAP-QUCGXOGASA-N	1	3	311.386	-1.215	20	0		DAADHO
C[C@H]1CC[N@@H+](CC(=O)NC/C=C\CNCC(=O)NC(N)=O)C1	ZINC001321249147	916560364	/nfs/dbraw/zinc/56/03/64/916560364.db2.gz	IZCCMVPMTZSFAP-QUCGXOGASA-N	1	3	311.386	-1.215	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C	ZINC001322442081	916637354	/nfs/dbraw/zinc/63/73/54/916637354.db2.gz	IKSVGMKYEONHAS-NSHDSACASA-N	1	3	313.402	-1.026	20	0		DAADHO
C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1	ZINC001328352847	917079109	/nfs/dbraw/zinc/07/91/09/917079109.db2.gz	GVWHCJQXJPJTPC-VIFPVBQESA-N	1	3	324.385	-1.287	20	0		DAADHO
CN1CCN(C[C@H](O)CNC[C@@H](O)C[NH+]2CCCC2)CC1	ZINC001328400604	917085849	/nfs/dbraw/zinc/08/58/49/917085849.db2.gz	IXUXKZIJYMMRLM-HUUCEWRRSA-N	1	3	300.447	-1.359	20	0		DAADHO
O=C(N[C@@H]1CC[NH2+]C1)C(=O)NC1CCN([C@H]2CCOC2)CC1	ZINC001330039902	917222965	/nfs/dbraw/zinc/22/29/65/917222965.db2.gz	KULOCVKERQZXTP-OLZOCXBDSA-N	1	3	310.398	-1.166	20	0		DAADHO
[NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1	ZINC001331168201	917282152	/nfs/dbraw/zinc/28/21/52/917282152.db2.gz	QIGJNHHILZPIJQ-QNWHQSFQSA-N	1	3	310.398	-1.181	20	0		DAADHO
CN(C[C@H](O)CNCCS(C)(=O)=O)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001332603164	917391065	/nfs/dbraw/zinc/39/10/65/917391065.db2.gz	VFUWMBHNOCWXCM-VXGBXAGGSA-N	1	3	321.443	-1.608	20	0		DAADHO
CN(C[C@H](O)CNCCS(C)(=O)=O)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001332603164	917391079	/nfs/dbraw/zinc/39/10/79/917391079.db2.gz	VFUWMBHNOCWXCM-VXGBXAGGSA-N	1	3	321.443	-1.608	20	0		DAADHO
C[C@H]([NH3+])CCNC(=O)C(=O)NCCCCN1CCN(C)CC1	ZINC001333178863	917428367	/nfs/dbraw/zinc/42/83/67/917428367.db2.gz	PCAHPRNNDXFAPL-ZDUSSCGKSA-N	1	3	313.446	-1.016	20	0		DAADHO
CN1CCN(C2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)CC1	ZINC001333429582	917441884	/nfs/dbraw/zinc/44/18/84/917441884.db2.gz	BQGNBTZOESHAQC-CYBMUJFWSA-N	1	3	323.441	-1.297	20	0		DAADHO
CN1CCN(C2CCN(C(=O)C(=O)NCC3([NH3+])CC3)CC2)CC1	ZINC001336678118	917603699	/nfs/dbraw/zinc/60/36/99/917603699.db2.gz	XKGHPDLAJDFBIA-UHFFFAOYSA-N	1	3	323.441	-1.168	20	0		DAADHO
CN1CCNC[C@@H]1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC001343487778	917810482	/nfs/dbraw/zinc/81/04/82/917810482.db2.gz	SLDHZOSYRZLPCV-GHMZBOCLSA-N	1	3	323.363	-1.158	20	0		DAADHO
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCNCCNCC2)C1	ZINC001345983259	917866660	/nfs/dbraw/zinc/86/66/60/917866660.db2.gz	UAMGEVOFGMNJCW-BETUJISGSA-N	1	3	311.430	-1.536	20	0		DAADHO
C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)CN1CCN(C)CC1	ZINC001347074617	917908847	/nfs/dbraw/zinc/90/88/47/917908847.db2.gz	BMTBMWHDULNINT-OLZOCXBDSA-N	1	3	311.430	-1.536	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001366338938	919314788	/nfs/dbraw/zinc/31/47/88/919314788.db2.gz	BZDGEORLTAADNR-GHMZBOCLSA-N	1	3	313.402	-1.122	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001366338938	919314815	/nfs/dbraw/zinc/31/48/15/919314815.db2.gz	BZDGEORLTAADNR-GHMZBOCLSA-N	1	3	313.402	-1.122	20	0		DAADHO
NC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1	ZINC001366378706	919319283	/nfs/dbraw/zinc/31/92/83/919319283.db2.gz	HGZSJCNTIVXZHK-RYUDHWBXSA-N	1	3	323.397	-1.286	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C	ZINC001366765117	919379865	/nfs/dbraw/zinc/37/98/65/919379865.db2.gz	RXZOFUMQVGYLFX-QWRGUYRKSA-N	1	3	313.402	-1.027	20	0		DAADHO
C[NH+](C)CC1(C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O)CC1	ZINC001367603415	919517983	/nfs/dbraw/zinc/51/79/83/919517983.db2.gz	RCNMTVKLRFQSGF-VIFPVBQESA-N	1	3	315.374	-2.410	20	0		DAADHO
C[C@H](NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C	ZINC001367621356	919534694	/nfs/dbraw/zinc/53/46/94/919534694.db2.gz	KNRWUUBUQYRJND-RYUDHWBXSA-N	1	3	312.414	-1.374	20	0		DAADHO
C[C@@H](NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C	ZINC001367621341	919535760	/nfs/dbraw/zinc/53/57/60/919535760.db2.gz	KNRWUUBUQYRJND-NEPJUHHUSA-N	1	3	312.414	-1.374	20	0		DAADHO
C[C@@H]1CCN(CC(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)C1	ZINC001367619518	919536043	/nfs/dbraw/zinc/53/60/43/919536043.db2.gz	OJFVHVMMCNVSSA-CHWSQXEVSA-N	1	3	312.414	-1.373	20	0		DAADHO
CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1)N(C)C	ZINC001367626040	919540061	/nfs/dbraw/zinc/54/00/61/919540061.db2.gz	UALSGDIZRCUTNX-NWDGAFQWSA-N	1	3	300.403	-1.374	20	0		DAADHO
CN(C)C(=O)CNC[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001367627873	919540971	/nfs/dbraw/zinc/54/09/71/919540971.db2.gz	WMNPFVRQZCUZNY-NEPJUHHUSA-N	1	3	300.403	-1.517	20	0		DAADHO
CN(C)C(=O)CNC[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001367627873	919540982	/nfs/dbraw/zinc/54/09/82/919540982.db2.gz	WMNPFVRQZCUZNY-NEPJUHHUSA-N	1	3	300.403	-1.517	20	0		DAADHO
CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)CC[NH+](C)C	ZINC001367695847	919559838	/nfs/dbraw/zinc/55/98/38/919559838.db2.gz	MRVXKBDHPJJNMV-SNVBAGLBSA-N	1	3	301.391	-1.122	20	0		DAADHO
C[C@@H]1CN(CCO)CCN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C	ZINC001368266330	919650902	/nfs/dbraw/zinc/65/09/02/919650902.db2.gz	IDEDLZWRMMUSQJ-ZIAGYGMSSA-N	1	3	313.446	-1.060	20	0		DAADHO
C[C@@H]1CN(CCO)CCN1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C	ZINC001368266330	919650910	/nfs/dbraw/zinc/65/09/10/919650910.db2.gz	IDEDLZWRMMUSQJ-ZIAGYGMSSA-N	1	3	313.446	-1.060	20	0		DAADHO
CC[C@@H](C(=O)NCCN1CCC([NH2+]CC(N)=O)CC1)N(C)C	ZINC001368361477	919702735	/nfs/dbraw/zinc/70/27/35/919702735.db2.gz	QRZOABFIHYWGLT-ZDUSSCGKSA-N	1	3	313.446	-1.018	20	0		DAADHO
O=C(N(CCO)CCN[C@H]1CCNC1=O)C12CC[NH+](CC1)C2	ZINC001368412506	919717619	/nfs/dbraw/zinc/71/76/19/919717619.db2.gz	RGLCSYZBDGEHTG-LBPRGKRZSA-N	1	3	310.398	-1.619	20	0		DAADHO
CNC(=O)CNC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1	ZINC001368517064	919735482	/nfs/dbraw/zinc/73/54/82/919735482.db2.gz	YGXAKVJYWBLAGM-GFCCVEGCSA-N	1	3	310.398	-1.355	20	0		DAADHO
CNC(=O)CNC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1	ZINC001368517067	919735943	/nfs/dbraw/zinc/73/59/43/919735943.db2.gz	YGXAKVJYWBLAGM-LBPRGKRZSA-N	1	3	310.398	-1.355	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCN1C	ZINC001369354286	919891220	/nfs/dbraw/zinc/89/12/20/919891220.db2.gz	UVOQZCXVYHLQTA-GHMZBOCLSA-N	1	3	313.402	-1.027	20	0		DAADHO
CN(CC(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)CC(C)(C)C	ZINC001369474281	919947951	/nfs/dbraw/zinc/94/79/51/919947951.db2.gz	JAGXCHDLTSVXPI-NSHDSACASA-N	1	3	302.419	-1.142	20	0		DAADHO
C[C@@H](NC[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1)C(N)=O	ZINC001369478682	919954809	/nfs/dbraw/zinc/95/48/09/919954809.db2.gz	AQOHCHBTQJJAHU-PWSUYJOCSA-N	1	3	300.403	-1.389	20	0		DAADHO
CC[N@H+](C)CCC(=O)N(C)C[C@H](O)CN[C@H]1CCNC1=O	ZINC001369481303	919955891	/nfs/dbraw/zinc/95/58/91/919955891.db2.gz	QBZGNUCFFKMVPO-NEPJUHHUSA-N	1	3	300.403	-1.374	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N(C)C[C@H](O)CN[C@H]1CCNC1=O	ZINC001369481303	919955902	/nfs/dbraw/zinc/95/59/02/919955902.db2.gz	QBZGNUCFFKMVPO-NEPJUHHUSA-N	1	3	300.403	-1.374	20	0		DAADHO
CN(C[C@@H](O)CNCC(=O)N1CCC1)C(=O)CC[NH+](C)C	ZINC001369483689	919958716	/nfs/dbraw/zinc/95/87/16/919958716.db2.gz	LOSSOKLNHVGDSO-LBPRGKRZSA-N	1	3	300.403	-1.421	20	0		DAADHO
CCNC(=O)CNC[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001369489468	919960972	/nfs/dbraw/zinc/96/09/72/919960972.db2.gz	VSQKKDCOBKJDIU-ZDUSSCGKSA-N	1	3	314.430	-1.127	20	0		DAADHO
CC(C)[C@H](C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1)[NH+](C)C	ZINC001370397905	920055487	/nfs/dbraw/zinc/05/54/87/920055487.db2.gz	UOCMLNOHTOEFOR-CMPLNLGQSA-N	1	3	313.402	-1.042	20	0		DAADHO
C[C@H](N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O	ZINC001370405849	920057031	/nfs/dbraw/zinc/05/70/31/920057031.db2.gz	RWQQWUSJADPUNC-QWRGUYRKSA-N	1	3	323.397	-1.144	20	0		DAADHO
C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCOCC1	ZINC001371473824	920265204	/nfs/dbraw/zinc/26/52/04/920265204.db2.gz	OMDDTNYLSMCCLW-CHWSQXEVSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCOCC1	ZINC001371473824	920265215	/nfs/dbraw/zinc/26/52/15/920265215.db2.gz	OMDDTNYLSMCCLW-CHWSQXEVSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCOCC1	ZINC001371473828	920265344	/nfs/dbraw/zinc/26/53/44/920265344.db2.gz	OMDDTNYLSMCCLW-OLZOCXBDSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCOCC1	ZINC001371473828	920265355	/nfs/dbraw/zinc/26/53/55/920265355.db2.gz	OMDDTNYLSMCCLW-OLZOCXBDSA-N	1	3	312.414	-1.109	20	0		DAADHO
CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)N(C)C	ZINC001371472274	920265757	/nfs/dbraw/zinc/26/57/57/920265757.db2.gz	SFFAVAVHZGKUSB-JHJVBQTASA-N	1	3	314.430	-1.034	20	0		DAADHO
C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCOCC1	ZINC001371473832	920266533	/nfs/dbraw/zinc/26/65/33/920266533.db2.gz	OMDDTNYLSMCCLW-QWHCGFSZSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCOCC1	ZINC001371473832	920266543	/nfs/dbraw/zinc/26/65/43/920266543.db2.gz	OMDDTNYLSMCCLW-QWHCGFSZSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[C@@H](NCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)NC(N)=O	ZINC001372943702	920438497	/nfs/dbraw/zinc/43/84/97/920438497.db2.gz	HFCUEQNUCXHGEI-SNVBAGLBSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CC(=O)NC(N)=O	ZINC001374070058	920581072	/nfs/dbraw/zinc/58/10/72/920581072.db2.gz	CWJGSVVWGHPCCU-QWRGUYRKSA-N	1	3	313.402	-1.135	20	0		DAADHO
C[NH+]1CCC(C(=O)NC[C@H](O)CNCC(=O)NC2CC2)CC1	ZINC001374641072	920668108	/nfs/dbraw/zinc/66/81/08/920668108.db2.gz	ILYWYRZPOQNWGX-CYBMUJFWSA-N	1	3	312.414	-1.327	20	0		DAADHO
C[NH+]1CCC(OCC(=O)NC[C@H](O)CNCC(N)=O)CC1	ZINC001374654340	920674160	/nfs/dbraw/zinc/67/41/60/920674160.db2.gz	AEGFMFCNWOSAAR-SNVBAGLBSA-N	1	3	302.375	-2.351	20	0		DAADHO
CCCN(C)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O	ZINC001374674943	920687414	/nfs/dbraw/zinc/68/74/14/920687414.db2.gz	SOAGWDVFCSRURD-RYUDHWBXSA-N	1	3	300.403	-1.327	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)NC(N)=O	ZINC001374685544	920693741	/nfs/dbraw/zinc/69/37/41/920693741.db2.gz	OVCLRQADXRRBBW-UWVGGRQHSA-N	1	3	317.390	-2.023	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)NC(N)=O	ZINC001374685541	920694809	/nfs/dbraw/zinc/69/48/09/920694809.db2.gz	OVCLRQADXRRBBW-NXEZZACHSA-N	1	3	317.390	-2.023	20	0		DAADHO
CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(=O)NC)N(C)C	ZINC001374932898	920731764	/nfs/dbraw/zinc/73/17/64/920731764.db2.gz	CJEOHEUJGPAFRH-UWVGGRQHSA-N	1	3	301.391	-1.124	20	0		DAADHO
CC[C@H](C(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O)N(C)C	ZINC001376544525	920976405	/nfs/dbraw/zinc/97/64/05/920976405.db2.gz	FUIWEQTYILWSAW-NWDGAFQWSA-N	1	3	300.403	-1.374	20	0		DAADHO
Cc1[nH]cnc1CC(=O)NC[C@H](O)CNC(=O)CC[NH+](C)C	ZINC001376661854	921008249	/nfs/dbraw/zinc/00/82/49/921008249.db2.gz	NCTKECVZGCQZAO-LLVKDONJSA-N	1	3	311.386	-1.194	20	0		DAADHO
Cc1[nH]cnc1CC(=O)NC[C@@H](O)CNC(=O)CC[NH+](C)C	ZINC001376661857	921008757	/nfs/dbraw/zinc/00/87/57/921008757.db2.gz	NCTKECVZGCQZAO-NSHDSACASA-N	1	3	311.386	-1.194	20	0		DAADHO
CN(C)C(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1	ZINC001376857019	921044683	/nfs/dbraw/zinc/04/46/83/921044683.db2.gz	CGUPYWXWTMDMAO-STQMWFEESA-N	1	3	312.414	-1.157	20	0		DAADHO
CN(C)C(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1	ZINC001376857019	921044700	/nfs/dbraw/zinc/04/47/00/921044700.db2.gz	CGUPYWXWTMDMAO-STQMWFEESA-N	1	3	312.414	-1.157	20	0		DAADHO
CN(C)C(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1	ZINC001376857017	921045048	/nfs/dbraw/zinc/04/50/48/921045048.db2.gz	CGUPYWXWTMDMAO-QWHCGFSZSA-N	1	3	312.414	-1.157	20	0		DAADHO
CN(C)C(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1	ZINC001376857017	921045055	/nfs/dbraw/zinc/04/50/55/921045055.db2.gz	CGUPYWXWTMDMAO-QWHCGFSZSA-N	1	3	312.414	-1.157	20	0		DAADHO
CCCN(C)CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(N)=O	ZINC001377592189	921841662	/nfs/dbraw/zinc/84/16/62/921841662.db2.gz	UCGYHRLLDSXHBE-JTQLQIEISA-N	1	3	301.391	-1.040	20	0		DAADHO
CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001379204926	922068757	/nfs/dbraw/zinc/06/87/57/922068757.db2.gz	CTAUMSJGJFLSIU-IJLUTSLNSA-N	1	3	300.403	-1.471	20	0		DAADHO
CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001379204926	922068774	/nfs/dbraw/zinc/06/87/74/922068774.db2.gz	CTAUMSJGJFLSIU-IJLUTSLNSA-N	1	3	300.403	-1.471	20	0		DAADHO
CN(CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O)C1CCC1	ZINC001379206504	922073208	/nfs/dbraw/zinc/07/32/08/922073208.db2.gz	ODECZFPZFBALPQ-STQMWFEESA-N	1	3	312.414	-1.184	20	0		DAADHO
O=C(CCC[NH+]1CCCC1)NC[C@@H](O)CN[C@H]1CCNC1=O	ZINC001379287937	922116247	/nfs/dbraw/zinc/11/62/47/922116247.db2.gz	ILNJXFSXGDAKTM-STQMWFEESA-N	1	3	312.414	-1.182	20	0		DAADHO
O=C(CCC[NH+]1CCCC1)NC[C@@H](O)CN[C@@H]1CCNC1=O	ZINC001379287935	922117250	/nfs/dbraw/zinc/11/72/50/922117250.db2.gz	ILNJXFSXGDAKTM-QWHCGFSZSA-N	1	3	312.414	-1.182	20	0		DAADHO
CNC(=O)CNC[C@@H](O)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1	ZINC001379295819	922119290	/nfs/dbraw/zinc/11/92/90/922119290.db2.gz	SMQWWLPUHYXINT-OCCSQVGLSA-N	1	3	314.430	-1.081	20	0		DAADHO
C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NCCn2cncn2)C1	ZINC001379503888	922207914	/nfs/dbraw/zinc/20/79/14/922207914.db2.gz	JHOIVVJGNMQACZ-OLZOCXBDSA-N	1	3	310.402	-1.313	20	0		DAADHO
C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NCCn2cncn2)C1	ZINC001379503888	922207930	/nfs/dbraw/zinc/20/79/30/922207930.db2.gz	JHOIVVJGNMQACZ-OLZOCXBDSA-N	1	3	310.402	-1.313	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCCN2CCNC2=O)C1	ZINC001379531300	922221436	/nfs/dbraw/zinc/22/14/36/922221436.db2.gz	VQADKLCGBXZBHO-NEPJUHHUSA-N	1	3	313.402	-1.970	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCCN2CCNC2=O)C1	ZINC001379531300	922221453	/nfs/dbraw/zinc/22/14/53/922221453.db2.gz	VQADKLCGBXZBHO-NEPJUHHUSA-N	1	3	313.402	-1.970	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001379583889	922229171	/nfs/dbraw/zinc/22/91/71/922229171.db2.gz	WDUWJYSAIIHPRZ-QWRGUYRKSA-N	1	3	313.402	-1.122	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001379583889	922229182	/nfs/dbraw/zinc/22/91/82/922229182.db2.gz	WDUWJYSAIIHPRZ-QWRGUYRKSA-N	1	3	313.402	-1.122	20	0		DAADHO
CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1	ZINC001379785713	922261245	/nfs/dbraw/zinc/26/12/45/922261245.db2.gz	BHJJFQMENNSNGK-GFCCVEGCSA-N	1	3	314.430	-1.032	20	0		DAADHO
CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CN1CC[C@H](C)C1	ZINC001379836475	922275844	/nfs/dbraw/zinc/27/58/44/922275844.db2.gz	SPKDTCDZCRAOBK-RYUDHWBXSA-N	1	3	300.403	-1.517	20	0		DAADHO
CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CN1CC[C@@H](C)C1	ZINC001379836470	922275891	/nfs/dbraw/zinc/27/58/91/922275891.db2.gz	SPKDTCDZCRAOBK-NEPJUHHUSA-N	1	3	300.403	-1.517	20	0		DAADHO
CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CN1CC[C@H](C)C1	ZINC001379838047	922276703	/nfs/dbraw/zinc/27/67/03/922276703.db2.gz	VYWLPRLERCKSBU-QWHCGFSZSA-N	1	3	314.430	-1.127	20	0		DAADHO
CN(C[C@@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C	ZINC001379846958	922280692	/nfs/dbraw/zinc/28/06/92/922280692.db2.gz	XVECVBLMXGJTOZ-NWDGAFQWSA-N	1	3	300.403	-1.422	20	0		DAADHO
CCNC(=O)CNC[C@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1	ZINC001379867698	922285044	/nfs/dbraw/zinc/28/50/44/922285044.db2.gz	HXXMFSJAWGWFCJ-OLZOCXBDSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCNC(=O)CNC[C@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001379867698	922285057	/nfs/dbraw/zinc/28/50/57/922285057.db2.gz	HXXMFSJAWGWFCJ-OLZOCXBDSA-N	1	3	314.430	-1.127	20	0		DAADHO
CN(C)C1(C(=O)N(CCO)CC[NH2+][C@@H]2CCNC2=O)CCC1	ZINC001380765671	922453057	/nfs/dbraw/zinc/45/30/57/922453057.db2.gz	NOMDOIDCMMDGRF-GFCCVEGCSA-N	1	3	312.414	-1.230	20	0		DAADHO
C[N@@H+]1CC[C@H](CC(=O)N(CCO)CCN[C@H]2CCNC2=O)C1	ZINC001380773930	922457703	/nfs/dbraw/zinc/45/77/03/922457703.db2.gz	NZPUGFLSMHYUKS-OLZOCXBDSA-N	1	3	312.414	-1.373	20	0		DAADHO
C[N@H+]1CC[C@H](CC(=O)N(CCO)CCN[C@H]2CCNC2=O)C1	ZINC001380773930	922457715	/nfs/dbraw/zinc/45/77/15/922457715.db2.gz	NZPUGFLSMHYUKS-OLZOCXBDSA-N	1	3	312.414	-1.373	20	0		DAADHO
CC(C)NC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001382439928	922752130	/nfs/dbraw/zinc/75/21/30/922752130.db2.gz	HGJRFWUTNSYNJE-STQMWFEESA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)NC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001382439928	922752144	/nfs/dbraw/zinc/75/21/44/922752144.db2.gz	HGJRFWUTNSYNJE-STQMWFEESA-N	1	3	314.430	-1.128	20	0		DAADHO
CCCN(C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1	ZINC001382554860	922806017	/nfs/dbraw/zinc/80/60/17/922806017.db2.gz	DVAMISADLIUXGF-QWHCGFSZSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCCN(C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001382554860	922806036	/nfs/dbraw/zinc/80/60/36/922806036.db2.gz	DVAMISADLIUXGF-QWHCGFSZSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCCN(C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1	ZINC001382554863	922806705	/nfs/dbraw/zinc/80/67/05/922806705.db2.gz	DVAMISADLIUXGF-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
CCCN(C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001382554863	922806717	/nfs/dbraw/zinc/80/67/17/922806717.db2.gz	DVAMISADLIUXGF-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
C[C@@H]1CCN(CC(=O)NC[C@H](CO)NC(=O)CC[NH+](C)C)C1	ZINC001382632936	922823830	/nfs/dbraw/zinc/82/38/30/922823830.db2.gz	UJTYYALZMSUBIF-CHWSQXEVSA-N	1	3	314.430	-1.127	20	0		DAADHO
CC(C)N(C)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001383923142	922977541	/nfs/dbraw/zinc/97/75/41/922977541.db2.gz	CYXSRMOEKCMFHF-CHWSQXEVSA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)N(C)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001383923142	922977551	/nfs/dbraw/zinc/97/75/51/922977551.db2.gz	CYXSRMOEKCMFHF-CHWSQXEVSA-N	1	3	314.430	-1.128	20	0		DAADHO
C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1O	ZINC001385119426	923146584	/nfs/dbraw/zinc/14/65/84/923146584.db2.gz	ZAMRIAHPALVLNX-CHWSQXEVSA-N	1	3	323.397	-1.018	20	0		DAADHO
C[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)NC(N)=O	ZINC001390584644	923760589	/nfs/dbraw/zinc/76/05/89/923760589.db2.gz	GQZSKVYNKAQRCR-NXEZZACHSA-N	1	3	322.369	-1.026	20	0		DAADHO
C[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)NC(N)=O	ZINC001390584645	923761561	/nfs/dbraw/zinc/76/15/61/923761561.db2.gz	GQZSKVYNKAQRCR-UWVGGRQHSA-N	1	3	322.369	-1.026	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001391217899	923818686	/nfs/dbraw/zinc/81/86/86/923818686.db2.gz	GKPUCTVUCWDAFW-QWRGUYRKSA-N	1	3	313.402	-1.170	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001391217899	923818695	/nfs/dbraw/zinc/81/86/95/923818695.db2.gz	GKPUCTVUCWDAFW-QWRGUYRKSA-N	1	3	313.402	-1.170	20	0		DAADHO
CCN(CC)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001392099931	923934348	/nfs/dbraw/zinc/93/43/48/923934348.db2.gz	QYHQNFCFXYXZNX-CHWSQXEVSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(CC)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001392099931	923934356	/nfs/dbraw/zinc/93/43/56/923934356.db2.gz	QYHQNFCFXYXZNX-CHWSQXEVSA-N	1	3	314.430	-1.127	20	0		DAADHO
C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001392100514	923935571	/nfs/dbraw/zinc/93/55/71/923935571.db2.gz	NIBSPVHQXQJNKU-WDEREUQCSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)C[N@H+]1CC[C@H](C)C1	ZINC001392100514	923935580	/nfs/dbraw/zinc/93/55/80/923935580.db2.gz	NIBSPVHQXQJNKU-WDEREUQCSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CC(=O)NC(N)=O	ZINC001392179589	923946853	/nfs/dbraw/zinc/94/68/53/923946853.db2.gz	HIDHHVIFCRISIP-KOLCDFICSA-N	1	3	322.369	-1.026	20	0		DAADHO
CN(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O)C1CCC1	ZINC001392371329	923985727	/nfs/dbraw/zinc/98/57/27/923985727.db2.gz	DXRLXZWVBCEEOI-JTQLQIEISA-N	1	3	315.374	-2.268	20	0		DAADHO
CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)C1	ZINC001392390231	924001408	/nfs/dbraw/zinc/00/14/08/924001408.db2.gz	HRPBCEHUMXUDDA-NEPJUHHUSA-N	1	3	300.403	-1.340	20	0		DAADHO
CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)C1	ZINC001392390231	924001422	/nfs/dbraw/zinc/00/14/22/924001422.db2.gz	HRPBCEHUMXUDDA-NEPJUHHUSA-N	1	3	300.403	-1.340	20	0		DAADHO
CC(C)(C(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O)N1CCCC1	ZINC001392392938	924005798	/nfs/dbraw/zinc/00/57/98/924005798.db2.gz	PWRMNLWUJAQCDW-RYUDHWBXSA-N	1	3	312.414	-1.184	20	0		DAADHO
CC(C)(C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O)[NH+]1CCCC1	ZINC001392392938	924005812	/nfs/dbraw/zinc/00/58/12/924005812.db2.gz	PWRMNLWUJAQCDW-RYUDHWBXSA-N	1	3	312.414	-1.184	20	0		DAADHO
CN(C)C(=O)CNC[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1	ZINC001392411649	924019629	/nfs/dbraw/zinc/01/96/29/924019629.db2.gz	XAQIYTSVLPYFPY-CYBMUJFWSA-N	1	3	314.430	-1.127	20	0		DAADHO
CNC(=O)CNC[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1	ZINC001392476359	924036194	/nfs/dbraw/zinc/03/61/94/924036194.db2.gz	IWJWFGYZVSLKCK-LLVKDONJSA-N	1	3	310.402	-1.101	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001392562616	924050407	/nfs/dbraw/zinc/05/04/07/924050407.db2.gz	GNGCQUFMBSSTAZ-HBNTYKKESA-N	1	3	313.402	-1.124	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001392562616	924050421	/nfs/dbraw/zinc/05/04/21/924050421.db2.gz	GNGCQUFMBSSTAZ-HBNTYKKESA-N	1	3	313.402	-1.124	20	0		DAADHO
CC(C)[C@H](C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)[NH+](C)C	ZINC001392601589	924055709	/nfs/dbraw/zinc/05/57/09/924055709.db2.gz	WRSMAOBLBMTGDP-GXSJLCMTSA-N	1	3	301.391	-1.138	20	0		DAADHO
CC[C@H](C(N)=O)N1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1	ZINC001393271690	924144639	/nfs/dbraw/zinc/14/46/39/924144639.db2.gz	BVQBGOUWWPFZOT-DOMZBBRYSA-N	1	3	312.414	-1.101	20	0		DAADHO
CC[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CN2CCCC2)C1	ZINC001393271690	924144648	/nfs/dbraw/zinc/14/46/48/924144648.db2.gz	BVQBGOUWWPFZOT-DOMZBBRYSA-N	1	3	312.414	-1.101	20	0		DAADHO
CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CN2CCCC2)C1	ZINC001393271690	924144655	/nfs/dbraw/zinc/14/46/55/924144655.db2.gz	BVQBGOUWWPFZOT-DOMZBBRYSA-N	1	3	312.414	-1.101	20	0		DAADHO
O=C(CN1CCCC1)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCCNC2=O)C1	ZINC001393272501	924145154	/nfs/dbraw/zinc/14/51/54/924145154.db2.gz	CZQIMJFFFOCLPO-CJNGLKHVSA-N	1	3	324.425	-1.086	20	0		DAADHO
O=C(CN1CCCC1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1	ZINC001393272501	924145161	/nfs/dbraw/zinc/14/51/61/924145161.db2.gz	CZQIMJFFFOCLPO-CJNGLKHVSA-N	1	3	324.425	-1.086	20	0		DAADHO
CC[C@@H](C(N)=O)N1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1	ZINC001393271700	924145839	/nfs/dbraw/zinc/14/58/39/924145839.db2.gz	BVQBGOUWWPFZOT-SWLSCSKDSA-N	1	3	312.414	-1.101	20	0		DAADHO
CC[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CN2CCCC2)C1	ZINC001393271700	924145847	/nfs/dbraw/zinc/14/58/47/924145847.db2.gz	BVQBGOUWWPFZOT-SWLSCSKDSA-N	1	3	312.414	-1.101	20	0		DAADHO
CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CN2CCCC2)C1	ZINC001393271700	924145852	/nfs/dbraw/zinc/14/58/52/924145852.db2.gz	BVQBGOUWWPFZOT-SWLSCSKDSA-N	1	3	312.414	-1.101	20	0		DAADHO
CC[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](C[C@H](O)COC)C1)N(C)C	ZINC001393280933	924153015	/nfs/dbraw/zinc/15/30/15/924153015.db2.gz	WYOLADNTPZJCPR-YDHLFZDLSA-N	1	3	317.430	-1.113	20	0		DAADHO
CC[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](O)COC)C1)N(C)C	ZINC001393280933	924153032	/nfs/dbraw/zinc/15/30/32/924153032.db2.gz	WYOLADNTPZJCPR-YDHLFZDLSA-N	1	3	317.430	-1.113	20	0		DAADHO
CC[C@@H](C(=O)NC[C@]1(O)CC[N@H+](C[C@H](O)COC)C1)N(C)C	ZINC001393280928	924153705	/nfs/dbraw/zinc/15/37/05/924153705.db2.gz	WYOLADNTPZJCPR-KCQAQPDRSA-N	1	3	317.430	-1.113	20	0		DAADHO
CC[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](C[C@H](O)COC)C1)N(C)C	ZINC001393280928	924153715	/nfs/dbraw/zinc/15/37/15/924153715.db2.gz	WYOLADNTPZJCPR-KCQAQPDRSA-N	1	3	317.430	-1.113	20	0		DAADHO
CNC(=O)[C@H](C)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001393453526	924204559	/nfs/dbraw/zinc/20/45/59/924204559.db2.gz	HGSSFLBZSLUQFW-YNEHKIRRSA-N	1	3	314.430	-1.128	20	0		DAADHO
CNC(=O)[C@H](C)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001393453526	924204575	/nfs/dbraw/zinc/20/45/75/924204575.db2.gz	HGSSFLBZSLUQFW-YNEHKIRRSA-N	1	3	314.430	-1.128	20	0		DAADHO
CC[C@H](NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)C(N)=O	ZINC001393478115	924216721	/nfs/dbraw/zinc/21/67/21/924216721.db2.gz	HPWQUEQCFYEZBT-RYUDHWBXSA-N	1	3	300.403	-1.388	20	0		DAADHO
CC[C@H](NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O	ZINC001393478115	924216732	/nfs/dbraw/zinc/21/67/32/924216732.db2.gz	HPWQUEQCFYEZBT-RYUDHWBXSA-N	1	3	300.403	-1.388	20	0		DAADHO
CC[C@H](NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O	ZINC001393478112	924217440	/nfs/dbraw/zinc/21/74/40/924217440.db2.gz	HPWQUEQCFYEZBT-NEPJUHHUSA-N	1	3	300.403	-1.388	20	0		DAADHO
CC[C@H](NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O	ZINC001393478112	924217456	/nfs/dbraw/zinc/21/74/56/924217456.db2.gz	HPWQUEQCFYEZBT-NEPJUHHUSA-N	1	3	300.403	-1.388	20	0		DAADHO
NC(=O)CNC[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1	ZINC001393575467	924226910	/nfs/dbraw/zinc/22/69/10/924226910.db2.gz	DCQDRIKINCFHPA-QWHCGFSZSA-N	1	3	310.398	-1.370	20	0		DAADHO
C[NH+](C)CC1(C(=O)N2CCC(O)(CNCC(N)=O)CC2)CC1	ZINC001393775446	924254900	/nfs/dbraw/zinc/25/49/00/924254900.db2.gz	JEMCIMMLLSMWSE-UHFFFAOYSA-N	1	3	312.414	-1.243	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C	ZINC001393964115	924270486	/nfs/dbraw/zinc/27/04/86/924270486.db2.gz	BQBYGYDZCGSBGF-NXEZZACHSA-N	1	3	301.391	-1.124	20	0		DAADHO
CN(C)Cc1ccsc1C(=O)NC[C@@H](CO)[NH2+]CC(N)=O	ZINC001394584161	924321838	/nfs/dbraw/zinc/32/18/38/924321838.db2.gz	PZXKDIFTCXPVBZ-JTQLQIEISA-N	1	3	314.411	-1.025	20	0		DAADHO
C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H](C)C(=O)NC(N)=O	ZINC001399125489	924690729	/nfs/dbraw/zinc/69/07/29/924690729.db2.gz	TWUJRCJVSRLYOM-UWVGGRQHSA-N	1	3	311.386	-1.240	20	0		DAADHO
CN(CCN[C@H]1CCNC1=O)C(=O)c1cnn(CC[NH+](C)C)c1	ZINC001400066944	924768880	/nfs/dbraw/zinc/76/88/80/924768880.db2.gz	QHNBUZMKOUIYCE-ZDUSSCGKSA-N	1	3	322.413	-1.005	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001401262478	924853581	/nfs/dbraw/zinc/85/35/81/924853581.db2.gz	SJBJMMVDNUOCSM-MNOVXSKESA-N	1	3	313.402	-1.170	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001401262478	924853586	/nfs/dbraw/zinc/85/35/86/924853586.db2.gz	SJBJMMVDNUOCSM-MNOVXSKESA-N	1	3	313.402	-1.170	20	0		DAADHO
CNC(=O)CNC[C@@H](O)CNC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001401536783	924877503	/nfs/dbraw/zinc/87/75/03/924877503.db2.gz	IZOVHRAKZJYOGG-VXGBXAGGSA-N	1	3	300.403	-1.327	20	0		DAADHO
CNC(=O)CNC[C@@H](O)CNC(=O)CC[C@H]1CCC[N@H+]1C	ZINC001401536783	924877508	/nfs/dbraw/zinc/87/75/08/924877508.db2.gz	IZOVHRAKZJYOGG-VXGBXAGGSA-N	1	3	300.403	-1.327	20	0		DAADHO
O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)C12CCC[NH+]1CCC2	ZINC001401548154	924884776	/nfs/dbraw/zinc/88/47/76/924884776.db2.gz	ANFMJZIBYJQUIC-VXGBXAGGSA-N	1	3	310.398	-1.430	20	0		DAADHO
O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)C12CCC[NH+]1CCC2	ZINC001401548140	924885007	/nfs/dbraw/zinc/88/50/07/924885007.db2.gz	ANFMJZIBYJQUIC-RYUDHWBXSA-N	1	3	310.398	-1.430	20	0		DAADHO
C[C@H]1CCN(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O)C1	ZINC001401562100	924892987	/nfs/dbraw/zinc/89/29/87/924892987.db2.gz	UPSUBHHMXHENKK-UWVGGRQHSA-N	1	3	315.374	-2.410	20	0		DAADHO
C[C@@H]1CCN(CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)C1	ZINC001401562098	924893130	/nfs/dbraw/zinc/89/31/30/924893130.db2.gz	UPSUBHHMXHENKK-NXEZZACHSA-N	1	3	315.374	-2.410	20	0		DAADHO
C[NH+]1CCC(C(=O)NC[C@H](O)CNCC(=O)NC(N)=O)CC1	ZINC001401565845	924894902	/nfs/dbraw/zinc/89/49/02/924894902.db2.gz	WUFITROPOWQCQG-SNVBAGLBSA-N	1	3	315.374	-2.410	20	0		DAADHO
CN1CC[C@H](NC[C@@H](O)CNC(=O)C2(C[NH+](C)C)CC2)C1=O	ZINC001401575060	924899690	/nfs/dbraw/zinc/89/96/90/924899690.db2.gz	RLCCZINSQGDGKN-NEPJUHHUSA-N	1	3	312.414	-1.374	20	0		DAADHO
C[C@@H]([NH2+]CC1(O)CCN(C(=O)[C@H]2CCCN2C)CC1)C(N)=O	ZINC001402791223	925028776	/nfs/dbraw/zinc/02/87/76/925028776.db2.gz	ATLSLJVHJBKILI-VXGBXAGGSA-N	1	3	312.414	-1.103	20	0		DAADHO
C[C@@H](NCC1(O)CCN(C(=O)CC[NH+](C)C)CC1)C(N)=O	ZINC001402787898	925030079	/nfs/dbraw/zinc/03/00/79/925030079.db2.gz	DPOWRUXSRHOZIG-LLVKDONJSA-N	1	3	300.403	-1.245	20	0		DAADHO
CCNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001403826558	925147562	/nfs/dbraw/zinc/14/75/62/925147562.db2.gz	BUCXWGDPZKZKSQ-FRRDWIJNSA-N	1	3	314.430	-1.128	20	0		DAADHO
CCNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001403826558	925147565	/nfs/dbraw/zinc/14/75/65/925147565.db2.gz	BUCXWGDPZKZKSQ-FRRDWIJNSA-N	1	3	314.430	-1.128	20	0		DAADHO
CN(C[C@H](O)CNCC(N)=O)C(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001403854550	925155535	/nfs/dbraw/zinc/15/55/35/925155535.db2.gz	RPVJNQBYIVSRON-VXGBXAGGSA-N	1	3	300.403	-1.245	20	0		DAADHO
CN(C[C@H](O)CNCC(N)=O)C(=O)CC[C@H]1CCC[N@H+]1C	ZINC001403854550	925155539	/nfs/dbraw/zinc/15/55/39/925155539.db2.gz	RPVJNQBYIVSRON-VXGBXAGGSA-N	1	3	300.403	-1.245	20	0		DAADHO
CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)CN(C)C(C)C	ZINC001403873024	925160446	/nfs/dbraw/zinc/16/04/46/925160446.db2.gz	FFMPZQDORUBMGG-VXGBXAGGSA-N	1	3	302.419	-1.130	20	0		DAADHO
CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C	ZINC001403883842	925163016	/nfs/dbraw/zinc/16/30/16/925163016.db2.gz	PLVBSZBLEAACLS-GFCCVEGCSA-N	1	3	302.419	-1.176	20	0		DAADHO
C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(N)=O	ZINC001404306317	925190433	/nfs/dbraw/zinc/19/04/33/925190433.db2.gz	ABPIFJDBBZFKMO-GMTAPVOTSA-N	1	3	313.402	-1.042	20	0		DAADHO
C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(N)=O	ZINC001404306317	925190437	/nfs/dbraw/zinc/19/04/37/925190437.db2.gz	ABPIFJDBBZFKMO-GMTAPVOTSA-N	1	3	313.402	-1.042	20	0		DAADHO
CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C	ZINC001404309585	925190465	/nfs/dbraw/zinc/19/04/65/925190465.db2.gz	GLUTZHVZSWYUNN-VHSXEESVSA-N	1	3	301.391	-1.042	20	0		DAADHO
C[C@@H](CNCC(N)=O)N(C)C(=O)c1ccn(CC[NH+](C)C)n1	ZINC001405822016	925338408	/nfs/dbraw/zinc/33/84/08/925338408.db2.gz	YUMGLAKMZCKLDD-NSHDSACASA-N	1	3	310.402	-1.020	20	0		DAADHO
CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)N(C)C	ZINC001406238547	925369558	/nfs/dbraw/zinc/36/95/58/925369558.db2.gz	HCZDKCYLBRZCOM-RKDXNWHRSA-N	1	3	303.363	-2.412	20	0		DAADHO
NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1	ZINC001406253162	925376722	/nfs/dbraw/zinc/37/67/22/925376722.db2.gz	WYIQAIKVWOCZOA-CHWSQXEVSA-N	1	3	312.414	-1.055	20	0		DAADHO
NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1	ZINC001406253162	925376732	/nfs/dbraw/zinc/37/67/32/925376732.db2.gz	WYIQAIKVWOCZOA-CHWSQXEVSA-N	1	3	312.414	-1.055	20	0		DAADHO
CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O	ZINC001406261093	925384061	/nfs/dbraw/zinc/38/40/61/925384061.db2.gz	CFIYRSJQKRGRTK-CHWSQXEVSA-N	1	3	314.430	-1.034	20	0		DAADHO
CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1	ZINC001406266528	925385892	/nfs/dbraw/zinc/38/58/92/925385892.db2.gz	MOYKTODHLJFZON-DGCLKSJQSA-N	1	3	314.430	-1.081	20	0		DAADHO
O=C(CNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)NCC1CC1	ZINC001406284042	925393862	/nfs/dbraw/zinc/39/38/62/925393862.db2.gz	OBXYDOVDYXOYPD-CYBMUJFWSA-N	1	3	324.425	-1.325	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O	ZINC001406315015	925401446	/nfs/dbraw/zinc/40/14/46/925401446.db2.gz	YUAGPAYIRIUHIM-NWDGAFQWSA-N	1	3	300.403	-1.376	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)N(C)C	ZINC001406315684	925401519	/nfs/dbraw/zinc/40/15/19/925401519.db2.gz	ZFPUPEFYSRSDLC-NWDGAFQWSA-N	1	3	302.419	-1.130	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2CNCC(=O)NC(N)=O)C1	ZINC001407115856	925453212	/nfs/dbraw/zinc/45/32/12/925453212.db2.gz	SSGRMABIFWWTLD-QWRGUYRKSA-N	1	3	311.386	-1.286	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2CNCC(=O)NC(N)=O)C1	ZINC001407115856	925453217	/nfs/dbraw/zinc/45/32/17/925453217.db2.gz	SSGRMABIFWWTLD-QWRGUYRKSA-N	1	3	311.386	-1.286	20	0		DAADHO
CC(C)[C@H](C(=O)N(CCO)CCN[C@H]1CCNC1=O)[NH+](C)C	ZINC001407662867	925516139	/nfs/dbraw/zinc/51/61/39/925516139.db2.gz	QOEDIIIBCMLUFE-QWHCGFSZSA-N	1	3	314.430	-1.128	20	0		DAADHO
CNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCN2C)CC1	ZINC001408150319	925551020	/nfs/dbraw/zinc/55/10/20/925551020.db2.gz	DFFWTNWZSSPCMU-GFCCVEGCSA-N	1	3	312.414	-1.230	20	0		DAADHO
CN(C[C@H](O)CNCC(=O)N1CCC1)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001411138501	925819391	/nfs/dbraw/zinc/81/93/91/925819391.db2.gz	LVEWAOCBNPMCPJ-QWHCGFSZSA-N	1	3	312.414	-1.421	20	0		DAADHO
CN(C[C@H](O)CNCC(=O)N1CCC1)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001411138501	925819399	/nfs/dbraw/zinc/81/93/99/925819399.db2.gz	LVEWAOCBNPMCPJ-QWHCGFSZSA-N	1	3	312.414	-1.421	20	0		DAADHO
CCN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001411148019	925820654	/nfs/dbraw/zinc/82/06/54/925820654.db2.gz	ULIMSZBQJLEIMS-QWHCGFSZSA-N	1	3	314.430	-1.175	20	0		DAADHO
CCN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001411148019	925820663	/nfs/dbraw/zinc/82/06/63/925820663.db2.gz	ULIMSZBQJLEIMS-QWHCGFSZSA-N	1	3	314.430	-1.175	20	0		DAADHO
CN(C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1	ZINC001413341240	926039052	/nfs/dbraw/zinc/03/90/52/926039052.db2.gz	QCNYFNWFNYFQHD-WCQYABFASA-N	1	3	323.397	-1.161	20	0		DAADHO
CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1	ZINC001413341240	926039059	/nfs/dbraw/zinc/03/90/59/926039059.db2.gz	QCNYFNWFNYFQHD-WCQYABFASA-N	1	3	323.397	-1.161	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)CC[NH+](C)C	ZINC001418833866	926426520	/nfs/dbraw/zinc/42/65/20/926426520.db2.gz	SBZHPIGLYLBUKR-JTQLQIEISA-N	1	3	301.391	-1.170	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]CC(=O)NC(N)=O	ZINC001419533275	926483771	/nfs/dbraw/zinc/48/37/71/926483771.db2.gz	FPFUULZTFQQMQG-SNVBAGLBSA-N	1	3	301.391	-1.137	20	0		DAADHO
C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCCN(C)S(C)(=O)=O	ZINC001419927694	926508550	/nfs/dbraw/zinc/50/85/50/926508550.db2.gz	SIXDMHJIMXHPGV-RYUDHWBXSA-N	1	3	320.459	-1.076	20	0		DAADHO
C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCCN(C)S(C)(=O)=O	ZINC001419927694	926508561	/nfs/dbraw/zinc/50/85/61/926508561.db2.gz	SIXDMHJIMXHPGV-RYUDHWBXSA-N	1	3	320.459	-1.076	20	0		DAADHO
O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)C12CCC[NH+](CCC1)C2	ZINC001420139817	926539043	/nfs/dbraw/zinc/53/90/43/926539043.db2.gz	BZTJJNFPNYZMGP-QWHCGFSZSA-N	1	3	324.425	-1.182	20	0		DAADHO
CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CN(C)C1CCC1	ZINC001420138631	926540972	/nfs/dbraw/zinc/54/09/72/926540972.db2.gz	LWORUSBRGTUGPT-ZYHUDNBSSA-N	1	3	300.403	-1.328	20	0		DAADHO
C[C@H]([NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCC1)C(N)=O	ZINC001420154580	926545347	/nfs/dbraw/zinc/54/53/47/926545347.db2.gz	FKBQAKGBWYTTHR-QWRGUYRKSA-N	1	3	300.403	-1.199	20	0		DAADHO
C[C@H](NC[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O	ZINC001420154580	926545354	/nfs/dbraw/zinc/54/53/54/926545354.db2.gz	FKBQAKGBWYTTHR-QWRGUYRKSA-N	1	3	300.403	-1.199	20	0		DAADHO
CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CN(C)CC(C)(C)C	ZINC001420174878	926551021	/nfs/dbraw/zinc/55/10/21/926551021.db2.gz	OMZSHHCHIJEZRQ-LLVKDONJSA-N	1	3	302.419	-1.223	20	0		DAADHO
CNC(=O)C[NH2+]C[C@H](O)CNC(=O)CN(C)CC(C)(C)C	ZINC001420174881	926551187	/nfs/dbraw/zinc/55/11/87/926551187.db2.gz	OMZSHHCHIJEZRQ-NSHDSACASA-N	1	3	302.419	-1.223	20	0		DAADHO
C[C@@H]1CCN(CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)C1	ZINC001420177853	926552929	/nfs/dbraw/zinc/55/29/29/926552929.db2.gz	YEBLLTGCQQTNJA-DGCLKSJQSA-N	1	3	312.414	-1.327	20	0		DAADHO
O=C(NC[C@@H](O)CN[C@@H]1CCCNC1=O)C12CC[NH+](CC1)C2	ZINC001420197411	926561124	/nfs/dbraw/zinc/56/11/24/926561124.db2.gz	OJHLLUXACSTTNE-NWDGAFQWSA-N	1	3	310.398	-1.573	20	0		DAADHO
C[C@@H](NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2)C(=O)NC(N)=O	ZINC001420502770	926596785	/nfs/dbraw/zinc/59/67/85/926596785.db2.gz	CKWSTGICPJYZNM-VHSXEESVSA-N	1	3	311.386	-1.240	20	0		DAADHO
C[NH+]1CCC(OCC(=O)NC[C@]2(O)CCN(CCO)C2)CC1	ZINC001421377803	926678872	/nfs/dbraw/zinc/67/88/72/926678872.db2.gz	AVUIAVYXCUXIHV-OAHLLOKOSA-N	1	3	315.414	-1.358	20	0		DAADHO
CNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001421801771	926757687	/nfs/dbraw/zinc/75/76/87/926757687.db2.gz	KRCMBHUPOSEGJO-VXGBXAGGSA-N	1	3	300.403	-1.110	20	0		DAADHO
C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)CCC[NH+](C)C	ZINC001421948339	926775845	/nfs/dbraw/zinc/77/58/45/926775845.db2.gz	RTHFPTMRIGOVKM-JTQLQIEISA-N	1	3	301.391	-1.040	20	0		DAADHO
CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O	ZINC001421976692	926777277	/nfs/dbraw/zinc/77/72/77/926777277.db2.gz	ABXCQWAMWODRDR-SNVBAGLBSA-N	1	3	301.391	-1.042	20	0		DAADHO
CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O	ZINC001421976687	926779101	/nfs/dbraw/zinc/77/91/01/926779101.db2.gz	ABXCQWAMWODRDR-JTQLQIEISA-N	1	3	301.391	-1.042	20	0		DAADHO
C[C@@H]1[C@H](C(=O)N2CCC(O)(CNCC(N)=O)CC2)CC[N@@H+]1C	ZINC001422094616	926787655	/nfs/dbraw/zinc/78/76/55/926787655.db2.gz	UKUZLOPKWZRGRN-VXGBXAGGSA-N	1	3	312.414	-1.245	20	0		DAADHO
C[C@@H]1[C@H](C(=O)N2CCC(O)(CNCC(N)=O)CC2)CC[N@H+]1C	ZINC001422094616	926787669	/nfs/dbraw/zinc/78/76/69/926787669.db2.gz	UKUZLOPKWZRGRN-VXGBXAGGSA-N	1	3	312.414	-1.245	20	0		DAADHO
C[C@@H](NC[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O	ZINC001422333091	926833453	/nfs/dbraw/zinc/83/34/53/926833453.db2.gz	AFEZEMPBAUXMTI-VXGBXAGGSA-N	1	3	312.414	-1.197	20	0		DAADHO
CCN1CC[C@H](NC[C@H](O)CNC(=O)CC[NH+](C)C)C1=O	ZINC001422345366	926842126	/nfs/dbraw/zinc/84/21/26/926842126.db2.gz	JIPMLBGWBJJIGJ-RYUDHWBXSA-N	1	3	300.403	-1.374	20	0		DAADHO
CN(CC(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O)CC(C)(C)C	ZINC001422362414	926852676	/nfs/dbraw/zinc/85/26/76/926852676.db2.gz	PEHQRMKCFPXRSZ-NEPJUHHUSA-N	1	3	314.430	-1.081	20	0		DAADHO
CC[N@H+](C)CCC(=O)NC[C@H](O)CN[C@H]1CCCNC1=O	ZINC001422379117	926856966	/nfs/dbraw/zinc/85/69/66/926856966.db2.gz	KHKNKYWJBSFOFA-NEPJUHHUSA-N	1	3	300.403	-1.327	20	0		DAADHO
CC[N@@H+](C)CCC(=O)NC[C@H](O)CN[C@H]1CCCNC1=O	ZINC001422379117	926856976	/nfs/dbraw/zinc/85/69/76/926856976.db2.gz	KHKNKYWJBSFOFA-NEPJUHHUSA-N	1	3	300.403	-1.327	20	0		DAADHO
CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(=O)NC)N(C)C	ZINC001422412958	926870205	/nfs/dbraw/zinc/87/02/05/926870205.db2.gz	VZMPHBUWAYLAJV-UWVGGRQHSA-N	1	3	317.390	-2.151	20	0		DAADHO
CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1	ZINC001423451627	927060722	/nfs/dbraw/zinc/06/07/22/927060722.db2.gz	IMGOLFQJKUTZIY-NWDGAFQWSA-N	1	3	314.430	-1.128	20	0		DAADHO
CN(C)C1(C(=O)N(C)C[C@@H](O)C[NH2+][C@H]2CCNC2=O)CCC1	ZINC001423471431	927066027	/nfs/dbraw/zinc/06/60/27/927066027.db2.gz	VDBOXFXPIWQEGE-RYUDHWBXSA-N	1	3	312.414	-1.232	20	0		DAADHO
CN(C[C@@H](O)CN[C@H]1CCN(C)C1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001423478879	927071069	/nfs/dbraw/zinc/07/10/69/927071069.db2.gz	LERRGNKZFMTDDS-STQMWFEESA-N	1	3	324.425	-1.278	20	0		DAADHO
CN(CC(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O)C1CCC1	ZINC001424051002	927189584	/nfs/dbraw/zinc/18/95/84/927189584.db2.gz	RTXONWFMSQADHJ-CYBMUJFWSA-N	1	3	312.414	-1.230	20	0		DAADHO
C[C@@H](NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1)C(N)=O	ZINC001424238820	927210012	/nfs/dbraw/zinc/21/00/12/927210012.db2.gz	NFAIDTWUEZJOIV-NEPJUHHUSA-N	1	3	310.398	-1.227	20	0		DAADHO
C[C@H](NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1)C(N)=O	ZINC001424238823	927210921	/nfs/dbraw/zinc/21/09/21/927210921.db2.gz	NFAIDTWUEZJOIV-RYUDHWBXSA-N	1	3	310.398	-1.227	20	0		DAADHO
CN1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1	ZINC001425771695	927439008	/nfs/dbraw/zinc/43/90/08/927439008.db2.gz	QLESMMSAUSHVEI-QWHCGFSZSA-N	1	3	312.414	-1.230	20	0		DAADHO
C[C@@H](CN1CCOCC1)C(=O)NC[C@H](CO)[NH2+]CC(N)=O	ZINC001425854422	927479311	/nfs/dbraw/zinc/47/93/11/927479311.db2.gz	NTNASFFOMZDIBE-WDEREUQCSA-N	1	3	302.375	-2.493	20	0		DAADHO
CN(C[C@@H](O)CN[C@@H]1CCCNC1=O)C(=O)CC[NH+](C)C	ZINC001426021928	927508804	/nfs/dbraw/zinc/50/88/04/927508804.db2.gz	FZQHLWYORYLDFE-NWDGAFQWSA-N	1	3	300.403	-1.374	20	0		DAADHO
CN(C[C@H](O)CN[C@@H]1CCCNC1=O)C(=O)CC[NH+](C)C	ZINC001426021946	927508978	/nfs/dbraw/zinc/50/89/78/927508978.db2.gz	FZQHLWYORYLDFE-VXGBXAGGSA-N	1	3	300.403	-1.374	20	0		DAADHO
Cc1[nH]cnc1CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001427910621	927703997	/nfs/dbraw/zinc/70/39/97/927703997.db2.gz	PTKRUXLCBGXKPU-VXGBXAGGSA-N	1	3	323.397	-1.194	20	0		DAADHO
Cc1[nH]cnc1CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001427910621	927704003	/nfs/dbraw/zinc/70/40/03/927704003.db2.gz	PTKRUXLCBGXKPU-VXGBXAGGSA-N	1	3	323.397	-1.194	20	0		DAADHO
C[NH+](C)CCN1C[C@@H](C(=O)N2CC(N[C@H]3CCOC3)C2)CC1=O	ZINC001434384453	928344620	/nfs/dbraw/zinc/34/46/20/928344620.db2.gz	COBANMUCSRNKBZ-STQMWFEESA-N	1	3	324.425	-1.014	20	0		DAADHO
CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1	ZINC001437308657	928444552	/nfs/dbraw/zinc/44/45/52/928444552.db2.gz	GUNPGETZXPVORO-GHMZBOCLSA-N	1	3	311.386	-1.286	20	0		DAADHO
NC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1	ZINC001437315830	928446422	/nfs/dbraw/zinc/44/64/22/928446422.db2.gz	XQIOXWNAHDHUMQ-SECBINFHSA-N	1	3	308.342	-1.415	20	0		DAADHO
C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CCN(CC(N)=O)C1	ZINC001437745774	928476460	/nfs/dbraw/zinc/47/64/60/928476460.db2.gz	UXSSEPAIIFQAPC-QWHCGFSZSA-N	1	3	312.414	-1.122	20	0		DAADHO
C[C@@H](NCCN(C)C(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O	ZINC001437835896	928482127	/nfs/dbraw/zinc/48/21/27/928482127.db2.gz	QPWUPCVLEQCEML-LLVKDONJSA-N	1	3	310.402	-1.020	20	0		DAADHO
O=C(CNC[C@H](O)CNC(=O)C12CCC[NH+]1CCC2)NC1CC1	ZINC001439002161	928569890	/nfs/dbraw/zinc/56/98/90/928569890.db2.gz	OCBZHCZYYHICBK-ZDUSSCGKSA-N	1	3	324.425	-1.040	20	0		DAADHO
C[C@H](NC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C	ZINC001439025957	928583158	/nfs/dbraw/zinc/58/31/58/928583158.db2.gz	MJXUDTFOPVAARV-WCQYABFASA-N	1	3	314.430	-1.128	20	0		DAADHO
CCN1CC[C@H](NC[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001439043025	928588342	/nfs/dbraw/zinc/58/83/42/928588342.db2.gz	CNUCGCOGSJZKKI-STQMWFEESA-N	1	3	324.425	-1.230	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCC(=O)NCC2CC2)C1	ZINC001439050578	928594212	/nfs/dbraw/zinc/59/42/12/928594212.db2.gz	ZSSCNEXVMFMJCD-OLZOCXBDSA-N	1	3	312.414	-1.469	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCC(=O)NCC2CC2)C1	ZINC001439050578	928594221	/nfs/dbraw/zinc/59/42/21/928594221.db2.gz	ZSSCNEXVMFMJCD-OLZOCXBDSA-N	1	3	312.414	-1.469	20	0		DAADHO
CN1CC[C@@H](N2CC[C@](O)(CNC(=O)C[NH+]3CCCC3)C2)C1=O	ZINC001440023577	928670684	/nfs/dbraw/zinc/67/06/84/928670684.db2.gz	NFEHGKMVUHKATK-CJNGLKHVSA-N	1	3	324.425	-1.134	20	0		DAADHO
C[C@@H]1CCN(CC(=O)N(CCO)CC[NH2+][C@H]2CCNC2=O)C1	ZINC001440206999	928706971	/nfs/dbraw/zinc/70/69/71/928706971.db2.gz	PTYCMVGJKSMIRH-OLZOCXBDSA-N	1	3	312.414	-1.373	20	0		DAADHO
CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NC(N)=O)C1	ZINC001440592860	928732757	/nfs/dbraw/zinc/73/27/57/928732757.db2.gz	AYKPLCVFEMONKD-MNOVXSKESA-N	1	3	313.402	-1.040	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NC(N)=O)C1	ZINC001440592860	928732761	/nfs/dbraw/zinc/73/27/61/928732761.db2.gz	AYKPLCVFEMONKD-MNOVXSKESA-N	1	3	313.402	-1.040	20	0		DAADHO
CC[N@H+](C)CCC(=O)N(C)C[C@H](C)NCC(=O)NC(N)=O	ZINC001441626801	928804071	/nfs/dbraw/zinc/80/40/71/928804071.db2.gz	OUYZYCULMGAMQD-JTQLQIEISA-N	1	3	301.391	-1.040	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NCC(=O)NC(N)=O	ZINC001441626801	928804075	/nfs/dbraw/zinc/80/40/75/928804075.db2.gz	OUYZYCULMGAMQD-JTQLQIEISA-N	1	3	301.391	-1.040	20	0		DAADHO
CN(C[C@H](O)CNCC(=O)NC(N)=O)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001442026902	928911534	/nfs/dbraw/zinc/91/15/34/928911534.db2.gz	DJXGRGJHMVGCMS-VHSXEESVSA-N	1	3	315.374	-2.458	20	0		DAADHO
CN(C[C@H](O)CNCC(=O)NC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001442026902	928911543	/nfs/dbraw/zinc/91/15/43/928911543.db2.gz	DJXGRGJHMVGCMS-VHSXEESVSA-N	1	3	315.374	-2.458	20	0		DAADHO
CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC(N)=O	ZINC001442033888	928913963	/nfs/dbraw/zinc/91/39/63/928913963.db2.gz	MPUGZDUIACPZTE-SNVBAGLBSA-N	1	3	317.390	-2.070	20	0		DAADHO
CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1	ZINC001442120102	928931452	/nfs/dbraw/zinc/93/14/52/928931452.db2.gz	GUNPGETZXPVORO-QWRGUYRKSA-N	1	3	311.386	-1.286	20	0		DAADHO
C[C@H](NCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O	ZINC001443097111	928992356	/nfs/dbraw/zinc/99/23/56/928992356.db2.gz	HBQNWVCOPVAFBS-WDEREUQCSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@H](NCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O	ZINC001443097111	928992366	/nfs/dbraw/zinc/99/23/66/928992366.db2.gz	HBQNWVCOPVAFBS-WDEREUQCSA-N	1	3	313.402	-1.040	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1	ZINC001445270139	929208177	/nfs/dbraw/zinc/20/81/77/929208177.db2.gz	PGRNGXDHHWQNBI-GFCCVEGCSA-N	1	3	300.403	-1.374	20	0		DAADHO
CCN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001445278027	929212246	/nfs/dbraw/zinc/21/22/46/929212246.db2.gz	WZQIIKYRVKHIKW-VXGBXAGGSA-N	1	3	300.403	-1.517	20	0		DAADHO
CCN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001445278027	929212257	/nfs/dbraw/zinc/21/22/57/929212257.db2.gz	WZQIIKYRVKHIKW-VXGBXAGGSA-N	1	3	300.403	-1.517	20	0		DAADHO
CC[C@@H](C(=O)NC[C@]1(O)CC[N@H+](C[C@@H](O)COC)C1)N(C)C	ZINC001446790195	929324328	/nfs/dbraw/zinc/32/43/28/929324328.db2.gz	WYOLADNTPZJCPR-VNHYZAJKSA-N	1	3	317.430	-1.113	20	0		DAADHO
CC[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](O)COC)C1)N(C)C	ZINC001446790195	929324340	/nfs/dbraw/zinc/32/43/40/929324340.db2.gz	WYOLADNTPZJCPR-VNHYZAJKSA-N	1	3	317.430	-1.113	20	0		DAADHO
CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)CN1CC[C@@H](C)C1	ZINC001447056647	929367739	/nfs/dbraw/zinc/36/77/39/929367739.db2.gz	BXLGRICHUMTOEG-OLZOCXBDSA-N	1	3	314.430	-1.127	20	0		DAADHO
CNC(=O)CNC[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1	ZINC001447294478	929382774	/nfs/dbraw/zinc/38/27/74/929382774.db2.gz	AHQNYOZIQPDPEH-QWHCGFSZSA-N	1	3	312.414	-1.109	20	0		DAADHO
CNC(=O)CNC[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1	ZINC001447294478	929382786	/nfs/dbraw/zinc/38/27/86/929382786.db2.gz	AHQNYOZIQPDPEH-QWHCGFSZSA-N	1	3	312.414	-1.109	20	0		DAADHO
CNC(=O)CN[C@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001448461746	929455449	/nfs/dbraw/zinc/45/54/49/929455449.db2.gz	ROOLADHEMIVYFM-VXGBXAGGSA-N	1	3	300.403	-1.110	20	0		DAADHO
C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCC(=O)NC(N)=O	ZINC001448742582	929469609	/nfs/dbraw/zinc/46/96/09/929469609.db2.gz	XLFNLTRIUGSAMZ-SNVBAGLBSA-N	1	3	313.402	-1.040	20	0		DAADHO
NC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccn(-c2ccncc2)n1	ZINC001448901345	929511133	/nfs/dbraw/zinc/51/11/33/929511133.db2.gz	PLLYYSHACLJVHL-SNVBAGLBSA-N	1	3	318.337	-1.567	20	0		DAADHO
C[C@@H](NC[C@H](O)CN(C)C(=O)CC[NH+](C)C)C(=O)N(C)C	ZINC001449148417	929553044	/nfs/dbraw/zinc/55/30/44/929553044.db2.gz	TVZNXBUPEKXMJQ-NEPJUHHUSA-N	1	3	302.419	-1.176	20	0		DAADHO
CCCN(C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCNC1=O	ZINC001449166438	929559210	/nfs/dbraw/zinc/55/92/10/929559210.db2.gz	XACOCFJNGQWVDV-RYUDHWBXSA-N	1	3	300.403	-1.374	20	0		DAADHO
CN(C)CCN1C[C@H](C(=O)N2NC(=O)C[C@]23CC[NH2+]C3)CC1=O	ZINC001548578751	930030543	/nfs/dbraw/zinc/03/05/43/930030543.db2.gz	MDALBMITDYEIOC-ABAIWWIYSA-N	1	3	323.397	-1.608	20	0		DAADHO
CC(C)[C@@H](N)C(=O)NCC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC001549045542	930047291	/nfs/dbraw/zinc/04/72/91/930047291.db2.gz	CWOZEKQUXYMFPM-TZMCWYRMSA-N	1	3	311.430	-1.408	20	0		DAADHO
CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1	ZINC001549050346	930051121	/nfs/dbraw/zinc/05/11/21/930051121.db2.gz	LGPXTECQGICXNU-DYEKYZERSA-N	1	3	322.413	-1.227	20	0		DAADHO
CNS(=O)(=O)CCCN1CCC[C@H](C(=O)NCC[NH3+])C1	ZINC000430631664	545697744	/nfs/dbraw/zinc/69/77/44/545697744.db2.gz	VKCVSHDFTNPHQG-NSHDSACASA-N	1	3	306.432	-1.287	20	0		DAADHO
CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1	ZINC000236840759	202034487	/nfs/dbraw/zinc/03/44/87/202034487.db2.gz	QPXDLHWJQIUGLW-QWHCGFSZSA-N	1	3	312.414	-1.278	20	0		DAADHO
C[C@H]1CCCN(CCNC(=O)C(=O)N(CC[NH3+])CCO)C1	ZINC000419418236	545767609	/nfs/dbraw/zinc/76/76/09/545767609.db2.gz	YAOLIHDNRYPSFS-LBPRGKRZSA-N	1	3	300.403	-1.386	20	0		DAADHO
C[C@@H](CN1CCCCC1)NC(=O)C(=O)N(CC[NH3+])CCO	ZINC000419421488	545767922	/nfs/dbraw/zinc/76/79/22/545767922.db2.gz	LJMBPSUVVDYRFW-LBPRGKRZSA-N	1	3	300.403	-1.243	20	0		DAADHO
CCN(CCNC(=O)C(=O)NCCN1CC[NH2+]CC1)C1CC1	ZINC000419520932	545768283	/nfs/dbraw/zinc/76/82/83/545768283.db2.gz	IYDNQZFZLYRWRS-UHFFFAOYSA-N	1	3	311.430	-1.392	20	0		DAADHO
CN(C(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2)[C@H]1C[NH2+]C[C@@H]1O	ZINC000643591790	372769057	/nfs/dbraw/zinc/76/90/57/372769057.db2.gz	LCENIHVJSPAEOZ-XEZPLFJOSA-N	1	3	324.425	-1.278	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@@H](C(N)=O)O1	ZINC000584012745	372781077	/nfs/dbraw/zinc/78/10/77/372781077.db2.gz	ZDLSRODMUUEPEH-RYUDHWBXSA-N	1	3	300.403	-1.029	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1	ZINC000584012744	372782283	/nfs/dbraw/zinc/78/22/83/372782283.db2.gz	ZDLSRODMUUEPEH-NWDGAFQWSA-N	1	3	300.403	-1.029	20	0		DAADHO
CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)[C@@H](CN)C1	ZINC000583434833	372866473	/nfs/dbraw/zinc/86/64/73/372866473.db2.gz	FSPMACRUXZSQOI-BBRMVZONSA-N	1	3	323.441	-1.358	20	0		DAADHO
CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)[C@@H](CN)C1	ZINC000583434833	372866480	/nfs/dbraw/zinc/86/64/80/372866480.db2.gz	FSPMACRUXZSQOI-BBRMVZONSA-N	1	3	323.441	-1.358	20	0		DAADHO
C[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CC1	ZINC000569624901	372872686	/nfs/dbraw/zinc/87/26/86/372872686.db2.gz	AEBNBQPLBGUXSC-NEPJUHHUSA-N	1	3	323.397	-2.033	20	0		DAADHO
C[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CC1	ZINC000569624901	372872689	/nfs/dbraw/zinc/87/26/89/372872689.db2.gz	AEBNBQPLBGUXSC-NEPJUHHUSA-N	1	3	323.397	-2.033	20	0		DAADHO
C[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CC1	ZINC000569624908	372872993	/nfs/dbraw/zinc/87/29/93/372872993.db2.gz	AEBNBQPLBGUXSC-RYUDHWBXSA-N	1	3	323.397	-2.033	20	0		DAADHO
C[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CC1	ZINC000569624908	372872999	/nfs/dbraw/zinc/87/29/99/372872999.db2.gz	AEBNBQPLBGUXSC-RYUDHWBXSA-N	1	3	323.397	-2.033	20	0		DAADHO
N[C@H]1C[C@H]2CN(C(=O)NCCCN3CC[NH2+]CC3)CCN2C1=O	ZINC000566689325	372874949	/nfs/dbraw/zinc/87/49/49/372874949.db2.gz	MXFWRNDKTKYJIU-STQMWFEESA-N	1	3	324.429	-1.765	20	0		DAADHO
COCC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1	ZINC000237306853	372859764	/nfs/dbraw/zinc/85/97/64/372859764.db2.gz	IVLJKRDNKFCLCC-GFCCVEGCSA-N	1	3	300.403	-1.251	20	0		DAADHO
N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3C[NH2+]CCC3(F)F)CCN2C1=O	ZINC000565249782	372917252	/nfs/dbraw/zinc/91/72/52/372917252.db2.gz	IHKTZFYXUHBYKV-BBBLOLIVSA-N	1	3	317.340	-1.063	20	0		DAADHO
CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@@H](CN)C1	ZINC000575160349	372921693	/nfs/dbraw/zinc/92/16/93/372921693.db2.gz	YLCFABZJAGJQRX-BFHYXJOUSA-N	1	3	323.441	-1.169	20	0		DAADHO
CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@@H](CN)C1	ZINC000575160349	372921700	/nfs/dbraw/zinc/92/17/00/372921700.db2.gz	YLCFABZJAGJQRX-BFHYXJOUSA-N	1	3	323.441	-1.169	20	0		DAADHO
CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@H](CN)C1	ZINC000575160350	372921805	/nfs/dbraw/zinc/92/18/05/372921805.db2.gz	YLCFABZJAGJQRX-MCIONIFRSA-N	1	3	323.441	-1.169	20	0		DAADHO
CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@H](CN)C1	ZINC000575160350	372921810	/nfs/dbraw/zinc/92/18/10/372921810.db2.gz	YLCFABZJAGJQRX-MCIONIFRSA-N	1	3	323.441	-1.169	20	0		DAADHO
C[NH+](C)CCCS(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1	ZINC000601343417	372940173	/nfs/dbraw/zinc/94/01/73/372940173.db2.gz	NMMHPXBXFBYEIT-WDEREUQCSA-N	1	3	304.416	-1.488	20	0		DAADHO
C[NH+](C)CCCS(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1	ZINC000601343415	372941920	/nfs/dbraw/zinc/94/19/20/372941920.db2.gz	NMMHPXBXFBYEIT-MNOVXSKESA-N	1	3	304.416	-1.488	20	0		DAADHO
COC(=O)CN(C)C(=O)CCN(C)CCN1CC[NH2+]CC1	ZINC000592471998	372971831	/nfs/dbraw/zinc/97/18/31/372971831.db2.gz	CFTQYROMNFDGOB-UHFFFAOYSA-N	1	3	300.403	-1.155	20	0		DAADHO
CC(C)(C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)N1CC[NH2+]CC1	ZINC000594873829	372995733	/nfs/dbraw/zinc/99/57/33/372995733.db2.gz	LHWORBACJDUDNQ-RYUDHWBXSA-N	1	3	309.414	-1.559	20	0		DAADHO
N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)CCN2C1=O	ZINC000602531996	373063133	/nfs/dbraw/zinc/06/31/33/373063133.db2.gz	YZADKSNDTOFVJF-UMSGYPCISA-N	1	3	308.382	-1.380	20	0		DAADHO
N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CCN2C1=O	ZINC000602531996	373063138	/nfs/dbraw/zinc/06/31/38/373063138.db2.gz	YZADKSNDTOFVJF-UMSGYPCISA-N	1	3	308.382	-1.380	20	0		DAADHO
CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1=O	ZINC000567982295	373123163	/nfs/dbraw/zinc/12/31/63/373123163.db2.gz	UKMVEHSCFGKVBR-STQMWFEESA-N	1	3	312.414	-1.109	20	0		DAADHO
CN1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3COCCN3)[C@H]2C1	ZINC000627470063	373137456	/nfs/dbraw/zinc/13/74/56/373137456.db2.gz	KYMLUUHALDPQLJ-UPJWGTAASA-N	1	3	310.398	-1.356	20	0		DAADHO
C[C@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)CCN(C)C	ZINC000563661563	373139706	/nfs/dbraw/zinc/13/97/06/373139706.db2.gz	ZYOAMUCSZIKPRM-GFCCVEGCSA-N	1	3	301.435	-1.208	20	0		DAADHO
O=C(CN1CCCC1)N1CCN(C(=O)CN2CC[NH2+]CC2)CC1	ZINC000638099316	373208351	/nfs/dbraw/zinc/20/83/51/373208351.db2.gz	SQDQNGHETUNREZ-UHFFFAOYSA-N	1	3	323.441	-1.342	20	0		DAADHO
C[NH2+]CCOCCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1	ZINC000638577645	373232649	/nfs/dbraw/zinc/23/26/49/373232649.db2.gz	BKFZUAJQUBIHBQ-LBPRGKRZSA-N	1	3	300.403	-1.251	20	0		DAADHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC(=O)NC(=O)N1	ZINC000617508199	373263208	/nfs/dbraw/zinc/26/32/08/373263208.db2.gz	XHRDWDDKVCJXKL-QWRGUYRKSA-N	1	3	313.402	-1.027	20	0		DAADHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC(=O)NC(=O)N1	ZINC000617508199	373263211	/nfs/dbraw/zinc/26/32/11/373263211.db2.gz	XHRDWDDKVCJXKL-QWRGUYRKSA-N	1	3	313.402	-1.027	20	0		DAADHO
CNS(=O)(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C	ZINC000617508183	373264001	/nfs/dbraw/zinc/26/40/01/373264001.db2.gz	WIRFTKOOIFIBBE-NSHDSACASA-N	1	3	323.463	-1.572	20	0		DAADHO
CNS(=O)(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C	ZINC000617508183	373264005	/nfs/dbraw/zinc/26/40/05/373264005.db2.gz	WIRFTKOOIFIBBE-NSHDSACASA-N	1	3	323.463	-1.572	20	0		DAADHO
CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C	ZINC000617505782	373264113	/nfs/dbraw/zinc/26/41/13/373264113.db2.gz	PXGSEWIQDQIQTN-NSHDSACASA-N	1	3	308.448	-1.076	20	0		DAADHO
CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C	ZINC000617505782	373264121	/nfs/dbraw/zinc/26/41/21/373264121.db2.gz	PXGSEWIQDQIQTN-NSHDSACASA-N	1	3	308.448	-1.076	20	0		DAADHO
CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN	ZINC000571985907	373328762	/nfs/dbraw/zinc/32/87/62/373328762.db2.gz	LFWPQMNGUKYBFG-STQMWFEESA-N	1	3	313.446	-1.066	20	0		DAADHO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN	ZINC000571985907	373328769	/nfs/dbraw/zinc/32/87/69/373328769.db2.gz	LFWPQMNGUKYBFG-STQMWFEESA-N	1	3	313.446	-1.066	20	0		DAADHO
CC(C)Nc1nc(NCCO)nc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1	ZINC000420253383	373324108	/nfs/dbraw/zinc/32/41/08/373324108.db2.gz	DLRNCFSPSYSABA-VXGBXAGGSA-N	1	3	321.429	-1.014	20	0		DAADHO
COCCN(CCN(C)C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1	ZINC000423744863	373349535	/nfs/dbraw/zinc/34/95/35/373349535.db2.gz	OSRIVCZMAAQUCO-GFCCVEGCSA-N	1	3	300.403	-1.109	20	0		DAADHO
CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN	ZINC000642114155	373437335	/nfs/dbraw/zinc/43/73/35/373437335.db2.gz	GQYBLMQTELEUSP-STQMWFEESA-N	1	3	313.446	-1.066	20	0		DAADHO
CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H](C[NH3+])C1CC1	ZINC000565411774	373521959	/nfs/dbraw/zinc/52/19/59/373521959.db2.gz	DCRSQEACYKPLOL-CYBMUJFWSA-N	1	3	313.446	-1.208	20	0		DAADHO
COC[C@]1(CNC(=O)CNC(=O)[C@@H](N)C(C)C)CCC[NH2+]1	ZINC000566251697	373528264	/nfs/dbraw/zinc/52/82/64/373528264.db2.gz	WCVYUZVOVGKIAG-GXTWGEPZSA-N	1	3	300.403	-1.029	20	0		DAADHO
N[C@@H]1C[C@@H]2CN(C(=O)NCCCN3CC[NH2+]CC3)CCN2C1=O	ZINC000566689250	373530951	/nfs/dbraw/zinc/53/09/51/373530951.db2.gz	MXFWRNDKTKYJIU-CHWSQXEVSA-N	1	3	324.429	-1.765	20	0		DAADHO
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+]	ZINC000577208870	373574207	/nfs/dbraw/zinc/57/42/07/373574207.db2.gz	PIXGXNMWVBFHPE-MRVWCRGKSA-N	1	3	323.441	-1.313	20	0		DAADHO
CN1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)C2)CC1	ZINC000627313797	373646583	/nfs/dbraw/zinc/64/65/83/373646583.db2.gz	MVZQYYQAEFHURS-OLZOCXBDSA-N	1	3	323.441	-1.251	20	0		DAADHO
CCN(CC[NH3+])C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1	ZINC000627334679	373648760	/nfs/dbraw/zinc/64/87/60/373648760.db2.gz	XXSQJRIOMBDPRA-UHFFFAOYSA-N	1	3	313.446	-1.064	20	0		DAADHO
CC1CCN(CCNC(=O)C(=O)NC[C@@H]2COCCN2)CC1	ZINC000627357748	373669576	/nfs/dbraw/zinc/66/95/76/373669576.db2.gz	PBYCUXIWSSOVHH-CYBMUJFWSA-N	1	3	312.414	-1.061	20	0		DAADHO
COCCCN(C)CCNC(=O)C(=O)NC[C@H]1COCCN1	ZINC000627361357	373671621	/nfs/dbraw/zinc/67/16/21/373671621.db2.gz	MKBMBLUZLKMYHX-LBPRGKRZSA-N	1	3	316.402	-1.825	20	0		DAADHO
C[NH2+]CCOCCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C	ZINC000627461809	373678042	/nfs/dbraw/zinc/67/80/42/373678042.db2.gz	ZVNBJIOSVLMLHB-LBPRGKRZSA-N	1	3	300.403	-1.109	20	0		DAADHO
C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@H](N(C)C)C1	ZINC000627461403	373678062	/nfs/dbraw/zinc/67/80/62/373678062.db2.gz	OKQYXQBMHYPOJY-LBPRGKRZSA-N	1	3	300.403	-1.109	20	0		DAADHO
CCN1CCC[C@@H]1CNC(=O)C(=O)NCCOCC[NH2+]C	ZINC000627463333	373679851	/nfs/dbraw/zinc/67/98/51/373679851.db2.gz	UPQZZSIMBOGSHY-GFCCVEGCSA-N	1	3	300.403	-1.061	20	0		DAADHO
CCN1CCC[C@H]1CNC(=O)C(=O)NCCOCC[NH2+]C	ZINC000627463334	373680144	/nfs/dbraw/zinc/68/01/44/373680144.db2.gz	UPQZZSIMBOGSHY-LBPRGKRZSA-N	1	3	300.403	-1.061	20	0		DAADHO
CN(C)CCN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2	ZINC000633086941	373725862	/nfs/dbraw/zinc/72/58/62/373725862.db2.gz	CCYGMULCUPCSPJ-STQMWFEESA-N	1	3	311.430	-1.489	20	0		DAADHO
COCCN(CCN(C)C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000633088210	373726496	/nfs/dbraw/zinc/72/64/96/373726496.db2.gz	FFIJYYVQTPGTJU-BETUJISGSA-N	1	3	312.414	-1.014	20	0		DAADHO
C[C@@H](CN1CCN(C)CC1)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1	ZINC000636746316	409386525	/nfs/dbraw/zinc/38/65/25/409386525.db2.gz	GPNRJIZTIWPAGC-UONOGXRCSA-N	1	3	313.446	-1.012	20	0		DAADHO
C[C@@H](CN1CCN(C)CC1)NC(=O)NCC[N@H+]1CC[C@@H](O)C1	ZINC000636746316	409386529	/nfs/dbraw/zinc/38/65/29/409386529.db2.gz	GPNRJIZTIWPAGC-UONOGXRCSA-N	1	3	313.446	-1.012	20	0		DAADHO
CC(=O)NCC(=O)NCC(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000531118488	409343479	/nfs/dbraw/zinc/34/34/79/409343479.db2.gz	GKRDMYOZBWFVJI-UHFFFAOYSA-N	1	3	315.418	-1.810	20	0		DAADHO
C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1	ZINC000332591653	409461845	/nfs/dbraw/zinc/46/18/45/409461845.db2.gz	GFPLJESYNFIUMI-AGIUHOORSA-N	1	3	310.398	-1.132	20	0		DAADHO
CN(C)CCN1C[C@H](C(=O)N2CCC(O)(C[NH3+])CC2)CC1=O	ZINC000515302132	409557986	/nfs/dbraw/zinc/55/79/86/409557986.db2.gz	KTNMKDGZAQHHDV-GFCCVEGCSA-N	1	3	312.414	-1.291	20	0		DAADHO
O=C(Nc1nc(N2CCNCC2)n[nH]1)[C@]12C[NH2+]C[C@H]1COC2	ZINC000653054295	409534841	/nfs/dbraw/zinc/53/48/41/409534841.db2.gz	LIQBYSMBZLQKMK-ZANVPECISA-N	1	3	307.358	-1.611	20	0		DAADHO
CC(C)N(CCN(C)C)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1	ZINC000423494071	409547381	/nfs/dbraw/zinc/54/73/81/409547381.db2.gz	CSZKIYNCGKFNOU-LBPRGKRZSA-N	1	3	300.403	-1.029	20	0		DAADHO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1CN2CCN1CCC2	ZINC000649072687	409649228	/nfs/dbraw/zinc/64/92/28/409649228.db2.gz	HFNTURGGXOZWLU-UONOGXRCSA-N	1	3	323.441	-1.045	20	0		DAADHO
CN(C)CCN1C[C@H](C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1=O	ZINC000576348630	409660075	/nfs/dbraw/zinc/66/00/75/409660075.db2.gz	DSFMAXKRQJPXBJ-OLZOCXBDSA-N	1	3	311.430	-1.502	20	0		DAADHO
Cc1nn(CC(=O)N(CCN(C)C)CC[NH+](C)C)c(=O)n1C	ZINC000654733113	409666127	/nfs/dbraw/zinc/66/61/27/409666127.db2.gz	OCWRRLBPCUQRIF-UHFFFAOYSA-N	1	3	312.418	-1.158	20	0		DAADHO
C[C@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)CCN(C)C	ZINC000581538784	409667121	/nfs/dbraw/zinc/66/71/21/409667121.db2.gz	LIWTXGKRGSGPCK-GFCCVEGCSA-N	1	3	301.435	-1.351	20	0		DAADHO
CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1C[NH2+]CCO1	ZINC000659551860	409684523	/nfs/dbraw/zinc/68/45/23/409684523.db2.gz	CIOIWFZJAJNAMO-GFCCVEGCSA-N	1	3	315.418	-1.364	20	0		DAADHO
CN1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C3)C2)CC1	ZINC000659682655	409688426	/nfs/dbraw/zinc/68/84/26/409688426.db2.gz	MVZQYYQAEFHURS-QWHCGFSZSA-N	1	3	323.441	-1.251	20	0		DAADHO
CN(C)C[C@H](CO)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000673524555	545866251	/nfs/dbraw/zinc/86/62/51/545866251.db2.gz	YPDMFMAQNJBUJX-VXGBXAGGSA-N	1	3	300.403	-1.565	20	0		DAADHO
CN(C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)[C@H]1C[NH2+]C[C@@H]1O	ZINC000331718715	263223553	/nfs/dbraw/zinc/22/35/53/263223553.db2.gz	HOBOXRXDEGMHNS-IHRRRGAJSA-N	1	3	324.425	-1.136	20	0		DAADHO
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1	ZINC000332591659	263262885	/nfs/dbraw/zinc/26/28/85/263262885.db2.gz	GFPLJESYNFIUMI-UPJWGTAASA-N	1	3	310.398	-1.132	20	0		DAADHO
COCCCN(C)CCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1	ZINC000419445220	263296704	/nfs/dbraw/zinc/29/67/04/263296704.db2.gz	DPAWZLLIAUEBMD-VXGBXAGGSA-N	1	3	300.403	-1.124	20	0		DAADHO
CN(C)CCNC(=O)[C@@H]1CC[C@@H](C(=O)NCC[NH+](C)C)O1	ZINC000187303928	263311480	/nfs/dbraw/zinc/31/14/80/263311480.db2.gz	KNKJUGCXPPCQNC-RYUDHWBXSA-N	1	3	300.403	-1.110	20	0		DAADHO
CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1	ZINC000357930959	263313074	/nfs/dbraw/zinc/31/30/74/263313074.db2.gz	WCFORBFNTCSUGC-AVGNSLFASA-N	1	3	312.414	-1.232	20	0		DAADHO
COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]1CCC[NH2+]1	ZINC000419901196	263324289	/nfs/dbraw/zinc/32/42/89/263324289.db2.gz	STHQHZLPIYCTMJ-GFCCVEGCSA-N	1	3	300.403	-1.109	20	0		DAADHO
COCC[NH2+]CC(=O)N1CCN(C(=O)CN2CCCC2)CC1	ZINC000167412698	263326561	/nfs/dbraw/zinc/32/65/61/263326561.db2.gz	QWJFKCPFBNVDOT-UHFFFAOYSA-N	1	3	312.414	-1.011	20	0		DAADHO
CN(C)CCN(CCN(C)C)C(=O)C(=O)NCC(C)(C)[NH3+]	ZINC000569795769	332680383	/nfs/dbraw/zinc/68/03/83/332680383.db2.gz	NTIFFKHANGCFEF-UHFFFAOYSA-N	1	3	301.435	-1.208	20	0		DAADHO
CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1	ZINC000582231682	336285881	/nfs/dbraw/zinc/28/58/81/336285881.db2.gz	IYROZVDOQYXWKH-GFCCVEGCSA-N	1	3	323.397	-2.161	20	0		DAADHO
CN(C)CCN(CCN(C)C)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1	ZINC000572826628	337614165	/nfs/dbraw/zinc/61/41/65/337614165.db2.gz	WEZRHUOAFPIKJH-CYBMUJFWSA-N	1	3	313.446	-1.208	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)CN1CCN(C)C(=O)C1	ZINC000548732735	341271082	/nfs/dbraw/zinc/27/10/82/341271082.db2.gz	CTGDEKPKRPZFOY-UHFFFAOYSA-N	1	3	313.446	-1.288	20	0		DAADHO
CN(C)CCN(CCN(C)C)C(=O)C(=O)NCc1ccnn1C	ZINC000550922601	341326870	/nfs/dbraw/zinc/32/68/70/341326870.db2.gz	JEOYYRTUKWCHFU-UHFFFAOYSA-N	1	3	324.429	-1.012	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccnn1C	ZINC000550922601	341326871	/nfs/dbraw/zinc/32/68/71/341326871.db2.gz	JEOYYRTUKWCHFU-UHFFFAOYSA-N	1	3	324.429	-1.012	20	0		DAADHO
COC[C@@]1(CNC(=O)CNC(=O)[C@@H](N)C(C)C)CCC[NH2+]1	ZINC000566251700	341552055	/nfs/dbraw/zinc/55/20/55/341552055.db2.gz	WCVYUZVOVGKIAG-JSGCOSHPSA-N	1	3	300.403	-1.029	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C(C)C	ZINC001152445200	782153443	/nfs/dbraw/zinc/15/34/43/782153443.db2.gz	DDMREHODHOFMBJ-SNVBAGLBSA-N	1	3	301.391	-1.124	20	0		DAADHO
CCS(=O)(=O)NCC[NH2+]CCNC(=O)CN(C)C(C)C	ZINC001152433168	782154253	/nfs/dbraw/zinc/15/42/53/782154253.db2.gz	WEQCMTSCHXGXJQ-UHFFFAOYSA-N	1	3	308.448	-1.028	20	0		DAADHO
COCCN(C)CCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1	ZINC000351558700	545722794	/nfs/dbraw/zinc/72/27/94/545722794.db2.gz	NEIYOXVIRLCUBF-LBPRGKRZSA-N	1	3	300.403	-1.061	20	0		DAADHO
C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000331577045	545727416	/nfs/dbraw/zinc/72/74/16/545727416.db2.gz	WHRIIWKOMQPMNU-KBPBESRZSA-N	1	3	323.441	-1.297	20	0		DAADHO
C[C@H](O)CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000659318641	545788548	/nfs/dbraw/zinc/78/85/48/545788548.db2.gz	OOCQPTXNYMLBRN-LBPRGKRZSA-N	1	3	302.419	-1.223	20	0		DAADHO
CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1=O	ZINC000649365965	545803812	/nfs/dbraw/zinc/80/38/12/545803812.db2.gz	AAFGZQQLFFMEHU-STQMWFEESA-N	1	3	311.430	-1.584	20	0		DAADHO
CN(C)CCn1ccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)n1	ZINC000351553544	545849884	/nfs/dbraw/zinc/84/98/84/545849884.db2.gz	FGJZVROVDPKSET-LLVKDONJSA-N	1	3	308.386	-0.749	20	0		DAADHO
[NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1	ZINC000926326101	662395086	/nfs/dbraw/zinc/39/50/86/662395086.db2.gz	KNMGTWURJXILHT-CZUORRHYSA-N	1	3	324.425	-1.005	20	0		DAADHO
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCNCCNCC3)CC[C@H]21	ZINC000926398487	662403369	/nfs/dbraw/zinc/40/33/69/662403369.db2.gz	VSCRNOLMLDJZIV-ZIAGYGMSSA-N	1	3	323.441	-1.440	20	0		DAADHO
C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCNCCNCC3)CC[C@H]21	ZINC000926398487	662403370	/nfs/dbraw/zinc/40/33/70/662403370.db2.gz	VSCRNOLMLDJZIV-ZIAGYGMSSA-N	1	3	323.441	-1.440	20	0		DAADHO
O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[C@H](N2CC=CC2)C1	ZINC000926406233	662404091	/nfs/dbraw/zinc/40/40/91/662404091.db2.gz	IGWFRLXREASWOY-AWEZNQCLSA-N	1	3	321.425	-1.520	20	0		DAADHO
O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[C@@H](N2CC=CC2)C1	ZINC000926406234	662404392	/nfs/dbraw/zinc/40/43/92/662404392.db2.gz	IGWFRLXREASWOY-CQSZACIVSA-N	1	3	321.425	-1.520	20	0		DAADHO
CC(C)N1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1	ZINC000978626573	662615150	/nfs/dbraw/zinc/61/51/50/662615150.db2.gz	FMZIWLMKOKOKBK-YIYPIFLZSA-N	1	3	324.425	-1.125	20	0		DAADHO
CC(C)N1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1	ZINC000978626573	662615151	/nfs/dbraw/zinc/61/51/51/662615151.db2.gz	FMZIWLMKOKOKBK-YIYPIFLZSA-N	1	3	324.425	-1.125	20	0		DAADHO
CN(CCO)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000925007353	662694133	/nfs/dbraw/zinc/69/41/33/662694133.db2.gz	OCYMQHQUZFEGSK-GFCCVEGCSA-N	1	3	300.403	-1.563	20	0		DAADHO
C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCNCCNCC3)C[C@]2(C)C1	ZINC000904968949	662792335	/nfs/dbraw/zinc/79/23/35/662792335.db2.gz	QWUKQSNFASBYNS-CJNGLKHVSA-N	1	3	323.441	-1.582	20	0		DAADHO
C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCNCCNCC3)C[C@]2(C)C1	ZINC000904968949	662792337	/nfs/dbraw/zinc/79/23/37/662792337.db2.gz	QWUKQSNFASBYNS-CJNGLKHVSA-N	1	3	323.441	-1.582	20	0		DAADHO
C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1	ZINC000911148478	663137242	/nfs/dbraw/zinc/13/72/42/663137242.db2.gz	PESLKOBAYMIASG-RQJABVFESA-N	1	3	324.425	-1.063	20	0		DAADHO
O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2	ZINC000911147816	663137315	/nfs/dbraw/zinc/13/73/15/663137315.db2.gz	JQZFDONIBOBSID-XGFWRYKXSA-N	1	3	322.409	-1.025	20	0		DAADHO
C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1	ZINC000911147446	663137321	/nfs/dbraw/zinc/13/73/21/663137321.db2.gz	HTJAZGNVYIGXSZ-MROQNXINSA-N	1	3	310.398	-1.310	20	0		DAADHO
C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1	ZINC000911147447	663137568	/nfs/dbraw/zinc/13/75/68/663137568.db2.gz	HTJAZGNVYIGXSZ-YVECIDJPSA-N	1	3	310.398	-1.310	20	0		DAADHO
[NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1	ZINC000911222738	663139487	/nfs/dbraw/zinc/13/94/87/663139487.db2.gz	HKALTRXQRBZUCL-BBRMVZONSA-N	1	3	324.425	-1.101	20	0		DAADHO
O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCNCCNCC1	ZINC000911269549	663140610	/nfs/dbraw/zinc/14/06/10/663140610.db2.gz	LMMMQVSTRSSUHI-KGLIPLIRSA-N	1	3	323.441	-1.249	20	0		DAADHO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCNCCNCC1	ZINC000911269549	663140614	/nfs/dbraw/zinc/14/06/14/663140614.db2.gz	LMMMQVSTRSSUHI-KGLIPLIRSA-N	1	3	323.441	-1.249	20	0		DAADHO
CCO[C@@H](CNC(=O)C(=O)N1CCCNCC1)C[NH+](C)C	ZINC000911436506	663144601	/nfs/dbraw/zinc/14/46/01/663144601.db2.gz	UJRBFPAYORAOOD-LBPRGKRZSA-N	1	3	300.403	-1.109	20	0		DAADHO
NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1	ZINC000996622954	663489682	/nfs/dbraw/zinc/48/96/82/663489682.db2.gz	TYXQHACWHJBRRL-STQMWFEESA-N	1	3	310.398	-1.085	20	0		DAADHO
CN(CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)CCOCCO	ZINC000922110927	663622567	/nfs/dbraw/zinc/62/25/67/663622567.db2.gz	SJKGWIAQUOEJPN-KGLIPLIRSA-N	1	3	315.414	-1.094	20	0		DAADHO
CN(CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)CCOCCO	ZINC000922110927	663622569	/nfs/dbraw/zinc/62/25/69/663622569.db2.gz	SJKGWIAQUOEJPN-KGLIPLIRSA-N	1	3	315.414	-1.094	20	0		DAADHO
O[C@H]1CN(Cc2ccc(C[NH+]3C[C@H](O)[C@@H](O)C3)cc2)C[C@@H]1O	ZINC000625712650	663658790	/nfs/dbraw/zinc/65/87/90/663658790.db2.gz	KBDWGVGZJWIHMF-VGWMRTNUSA-N	1	3	308.378	-1.239	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)N2CCC(O)(CN[C@H]3CCNC3=O)CC2)C1	ZINC000946928630	663699471	/nfs/dbraw/zinc/69/94/71/663699471.db2.gz	UMPSLOBYIQDSLF-STQMWFEESA-N	1	3	324.425	-1.230	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)N2CCC(O)(CN[C@H]3CCNC3=O)CC2)C1	ZINC000946928630	663699472	/nfs/dbraw/zinc/69/94/72/663699472.db2.gz	UMPSLOBYIQDSLF-STQMWFEESA-N	1	3	324.425	-1.230	20	0		DAADHO
CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000804056437	663844712	/nfs/dbraw/zinc/84/47/12/663844712.db2.gz	KRQYSVBEBPTTFG-CHWSQXEVSA-N	1	3	312.414	-1.014	20	0		DAADHO
CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000804056437	663844714	/nfs/dbraw/zinc/84/47/14/663844714.db2.gz	KRQYSVBEBPTTFG-CHWSQXEVSA-N	1	3	312.414	-1.014	20	0		DAADHO
CN(C)CCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000804056438	663845113	/nfs/dbraw/zinc/84/51/13/663845113.db2.gz	KRQYSVBEBPTTFG-OLZOCXBDSA-N	1	3	312.414	-1.014	20	0		DAADHO
CN(C)CCN(C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000804056438	663845115	/nfs/dbraw/zinc/84/51/15/663845115.db2.gz	KRQYSVBEBPTTFG-OLZOCXBDSA-N	1	3	312.414	-1.014	20	0		DAADHO
[NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12	ZINC000848616663	663892564	/nfs/dbraw/zinc/89/25/64/663892564.db2.gz	QMTWJYNQSXWVJJ-CHWSQXEVSA-N	1	3	312.414	-1.101	20	0		DAADHO
O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000851685043	663896271	/nfs/dbraw/zinc/89/62/71/663896271.db2.gz	OVWOCTRWWYSHMP-BTJONVMOSA-N	1	3	322.409	-1.166	20	0		DAADHO
O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000851685053	663896377	/nfs/dbraw/zinc/89/63/77/663896377.db2.gz	OVWOCTRWWYSHMP-WULFKBJJSA-N	1	3	322.409	-1.166	20	0		DAADHO
O=C1COC[C@@]2(C[NH2+]C[C@@H](O)CN3CCCC3)COCCN12	ZINC000872232822	663939267	/nfs/dbraw/zinc/93/92/67/663939267.db2.gz	HNLMBQUAOAKXEZ-UKRRQHHQSA-N	1	3	313.398	-1.340	20	0		DAADHO
CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1	ZINC000876751987	663947666	/nfs/dbraw/zinc/94/76/66/663947666.db2.gz	COQQKBNSPTZARG-ZDUSSCGKSA-N	1	3	313.446	-1.112	20	0		DAADHO
CN1CCN(C2CCN(S(=O)(=O)C3C[NH2+]C3)CC2)CC1	ZINC000923666764	663951169	/nfs/dbraw/zinc/95/11/69/663951169.db2.gz	OLVNOOGVUIGFNX-UHFFFAOYSA-N	1	3	302.444	-1.000	20	0		DAADHO
CN1CCN(CCCCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1	ZINC000884598268	663965878	/nfs/dbraw/zinc/96/58/78/663965878.db2.gz	XDFZESAFJFQUTI-KBPBESRZSA-N	1	3	323.441	-1.297	20	0		DAADHO
[NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)N1CCNCC1)CC2	ZINC000923687365	663966024	/nfs/dbraw/zinc/96/60/24/663966024.db2.gz	KKCMOUGBGUBAFJ-GFCCVEGCSA-N	1	3	318.443	-1.034	20	0		DAADHO
C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCNCCNCC2)C1	ZINC000926327610	663981951	/nfs/dbraw/zinc/98/19/51/663981951.db2.gz	ZGLOLBQYFYOJQH-CYBMUJFWSA-N	1	3	311.430	-1.440	20	0		DAADHO
C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCNCCNCC1	ZINC000926337489	663982190	/nfs/dbraw/zinc/98/21/90/663982190.db2.gz	PXVLAOMBNJOZQE-UONOGXRCSA-N	1	3	323.441	-1.297	20	0		DAADHO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCNCCNCC1	ZINC000926337489	663982193	/nfs/dbraw/zinc/98/21/93/663982193.db2.gz	PXVLAOMBNJOZQE-UONOGXRCSA-N	1	3	323.441	-1.297	20	0		DAADHO
CN(C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCO1	ZINC000926333820	663982245	/nfs/dbraw/zinc/98/22/45/663982245.db2.gz	KUDQOFOOKPPOMI-BFHYXJOUSA-N	1	3	324.425	-1.014	20	0		DAADHO
CN(C)C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CCO1	ZINC000926335848	663982858	/nfs/dbraw/zinc/98/28/58/663982858.db2.gz	VFEHUCAYMIHIJO-OLZOCXBDSA-N	1	3	312.414	-1.027	20	0		DAADHO
CN(C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCO1	ZINC000926332879	663982897	/nfs/dbraw/zinc/98/28/97/663982897.db2.gz	HKWQIKUHQIMKMF-BFHYXJOUSA-N	1	3	324.425	-1.157	20	0		DAADHO
CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1	ZINC000967923720	664467802	/nfs/dbraw/zinc/46/78/02/664467802.db2.gz	BPIPXDXNGMIYAV-NEPJUHHUSA-N	1	3	323.397	-1.177	20	0		DAADHO
C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H](NCC(N)=O)C2)n1	ZINC000968719301	664485440	/nfs/dbraw/zinc/48/54/40/664485440.db2.gz	PWJIZUZLEXKRMP-LLVKDONJSA-N	1	3	308.386	-1.266	20	0		DAADHO
CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1	ZINC001018630931	664588065	/nfs/dbraw/zinc/58/80/65/664588065.db2.gz	BPIPXDXNGMIYAV-RYUDHWBXSA-N	1	3	323.397	-1.177	20	0		DAADHO
C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@@H]1CN2CC3CC2(C3)CO1	ZINC001074755610	678203944	/nfs/dbraw/zinc/20/39/44/678203944.db2.gz	NQFQDXQREJTLGX-JRWADXHSSA-N	1	3	322.409	-1.086	20	0		DAADHO
CC(C)N1CCO[C@H](C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)C1	ZINC001047499346	678525405	/nfs/dbraw/zinc/52/54/05/678525405.db2.gz	HGVHVRVTMSYZML-IHRRRGAJSA-N	1	3	315.414	-1.409	20	0		DAADHO
CC(C)N1CCO[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)C1	ZINC001047499346	678525407	/nfs/dbraw/zinc/52/54/07/678525407.db2.gz	HGVHVRVTMSYZML-IHRRRGAJSA-N	1	3	315.414	-1.409	20	0		DAADHO
O=C(N1CCO[C@H](CN[C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2	ZINC001051904491	678778709	/nfs/dbraw/zinc/77/87/09/678778709.db2.gz	OOFCNHYEIBJMFV-CHWSQXEVSA-N	1	3	322.409	-1.212	20	0		DAADHO
CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)N(C)C	ZINC001070276609	678864091	/nfs/dbraw/zinc/86/40/91/678864091.db2.gz	POYBBIGXDXLFMQ-AGIUHOORSA-N	1	3	310.402	-1.048	20	0		DAADHO
C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21	ZINC001115125870	782643618	/nfs/dbraw/zinc/64/36/18/782643618.db2.gz	DGHYEJBDBWONAI-NHAGDIPZSA-N	1	3	315.414	-1.380	20	0		DAADHO
CN1CCN(C)[C@@H](CNC(=O)C(=O)NC[C@@H]2COCCN2)C1	ZINC001118865800	782736540	/nfs/dbraw/zinc/73/65/40/782736540.db2.gz	SJIFLYKMNJVQDI-NEPJUHHUSA-N	1	3	313.402	-2.547	20	0		DAADHO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1COCCN1	ZINC001118865800	782736544	/nfs/dbraw/zinc/73/65/44/782736544.db2.gz	SJIFLYKMNJVQDI-NEPJUHHUSA-N	1	3	313.402	-2.547	20	0		DAADHO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1COCCN1	ZINC001118865800	782736550	/nfs/dbraw/zinc/73/65/50/782736550.db2.gz	SJIFLYKMNJVQDI-NEPJUHHUSA-N	1	3	313.402	-2.547	20	0		DAADHO
C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCCCN1CCN(C)CC1	ZINC001118867321	782737465	/nfs/dbraw/zinc/73/74/65/782737465.db2.gz	KFYIEHWTRLJEKF-CYBMUJFWSA-N	1	3	313.446	-1.064	20	0		DAADHO
CNC(=O)CN[C@H]1CCCN(C(=O)COCC[NH+](C)C)C1	ZINC001210678239	775154411	/nfs/dbraw/zinc/15/44/11/775154411.db2.gz	RPWBJSQPUMEDNA-LBPRGKRZSA-N	1	3	300.403	-1.109	20	0		DAADHO
CNC(=O)CN[C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1	ZINC001210678235	775155409	/nfs/dbraw/zinc/15/54/09/775155409.db2.gz	RPWBJSQPUMEDNA-GFCCVEGCSA-N	1	3	300.403	-1.109	20	0		DAADHO
CCS(=O)(=O)NCCNCCN(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001267072392	775201282	/nfs/dbraw/zinc/20/12/82/775201282.db2.gz	YKVVQSSGGSKZJG-LBPRGKRZSA-N	1	3	320.459	-1.075	20	0		DAADHO
CCS(=O)(=O)NCCNCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001267072392	775201294	/nfs/dbraw/zinc/20/12/94/775201294.db2.gz	YKVVQSSGGSKZJG-LBPRGKRZSA-N	1	3	320.459	-1.075	20	0		DAADHO
N[C@@H](CSCC[NH3+])C(=O)N[C@@H]1COCCC12OCCO2	ZINC001220172788	775274089	/nfs/dbraw/zinc/27/40/89/775274089.db2.gz	BKBIJCWQRBXFRI-VHSXEESVSA-N	1	3	305.400	-1.346	20	0		DAADHO
CC[C@@H](C(=O)N[C@H](C)C[NH2+]CCN1C(=O)CNC1=O)N(C)C	ZINC001268670059	775414883	/nfs/dbraw/zinc/41/48/83/775414883.db2.gz	RMEUKKMPAABHEF-MNOVXSKESA-N	1	3	313.402	-1.027	20	0		DAADHO
CN(CCOCCN[C@@H]1CCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001284877640	775488487	/nfs/dbraw/zinc/48/84/87/775488487.db2.gz	HFJKDYNSQUWVOP-QWHCGFSZSA-N	1	3	312.414	-1.109	20	0		DAADHO
CN(CCOCCN[C@@H]1CCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001284877640	775488490	/nfs/dbraw/zinc/48/84/90/775488490.db2.gz	HFJKDYNSQUWVOP-QWHCGFSZSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[C@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)N1CCN(C)CC1	ZINC001120574902	775733608	/nfs/dbraw/zinc/73/36/08/775733608.db2.gz	SGRXSORCUWCUIN-HZPDHXFCSA-N	1	3	313.490	-1.180	20	0		DAADHO
C[C@@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)N1CCN(C)CC1	ZINC001120574903	775733820	/nfs/dbraw/zinc/73/38/20/775733820.db2.gz	SGRXSORCUWCUIN-JKSUJKDBSA-N	1	3	313.490	-1.180	20	0		DAADHO
NC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1	ZINC001127254190	775763787	/nfs/dbraw/zinc/76/37/87/775763787.db2.gz	CZMFZHJMTJNNLU-GHMZBOCLSA-N	1	3	311.386	-1.239	20	0		DAADHO
NC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1	ZINC001127254190	775763797	/nfs/dbraw/zinc/76/37/97/775763797.db2.gz	CZMFZHJMTJNNLU-GHMZBOCLSA-N	1	3	311.386	-1.239	20	0		DAADHO
CCCN(C)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O	ZINC001272566623	775778302	/nfs/dbraw/zinc/77/83/02/775778302.db2.gz	ABYATGTXKIVOBD-MNOVXSKESA-N	1	3	314.386	-1.800	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCCS(C)(=O)=O)C1	ZINC001272574437	775780744	/nfs/dbraw/zinc/78/07/44/775780744.db2.gz	HKSOMAGRPRWWEB-QWRGUYRKSA-N	1	3	307.416	-1.951	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCCS(C)(=O)=O)C1	ZINC001272574437	775780749	/nfs/dbraw/zinc/78/07/49/775780749.db2.gz	HKSOMAGRPRWWEB-QWRGUYRKSA-N	1	3	307.416	-1.951	20	0		DAADHO
O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@H]1C[NH+]2CCC1CC2	ZINC001127479720	775807334	/nfs/dbraw/zinc/80/73/34/775807334.db2.gz	GVXPRLXGNHWNHV-NWDGAFQWSA-N	1	3	308.382	-1.161	20	0		DAADHO
O=C(CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)N1CCOCC1	ZINC001127473696	775807585	/nfs/dbraw/zinc/80/75/85/775807585.db2.gz	COERMGJWSHCRID-AWEZNQCLSA-N	1	3	324.425	-1.107	20	0		DAADHO
CNC(=O)[C@@H](C)NCCNC(=O)c1ccn(CC[NH+](C)C)n1	ZINC001127562959	775813014	/nfs/dbraw/zinc/81/30/14/775813014.db2.gz	QBRLXPLKSCOMLM-LLVKDONJSA-N	1	3	310.402	-1.101	20	0		DAADHO
CN1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C	ZINC001124867417	775831875	/nfs/dbraw/zinc/83/18/75/775831875.db2.gz	VPUHOGNIAWLFLU-GFCCVEGCSA-N	1	3	323.397	-1.616	20	0		DAADHO
O=C(CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CC1	ZINC001127777784	775861140	/nfs/dbraw/zinc/86/11/40/775861140.db2.gz	BQNARQAIKAHUHT-CHWSQXEVSA-N	1	3	310.398	-1.166	20	0		DAADHO
O=C(CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)NC1CC1	ZINC001127777784	775861150	/nfs/dbraw/zinc/86/11/50/775861150.db2.gz	BQNARQAIKAHUHT-CHWSQXEVSA-N	1	3	310.398	-1.166	20	0		DAADHO
O=C(CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC1	ZINC001127779325	775863060	/nfs/dbraw/zinc/86/30/60/775863060.db2.gz	LGPWOCAJQIEOQF-OLZOCXBDSA-N	1	3	310.398	-1.212	20	0		DAADHO
O=C(CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC1	ZINC001127779325	775863067	/nfs/dbraw/zinc/86/30/67/775863067.db2.gz	LGPWOCAJQIEOQF-OLZOCXBDSA-N	1	3	310.398	-1.212	20	0		DAADHO
COc1c(C2C[NH2+]C2)ncnc1N(C)S(=O)(=O)CCN	ZINC001164292554	776115998	/nfs/dbraw/zinc/11/59/98/776115998.db2.gz	QTBVFJVXQQSFKQ-UHFFFAOYSA-N	1	3	301.372	-1.103	20	0		DAADHO
CC(C)C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NC(N)=O)C1	ZINC001129329098	776256807	/nfs/dbraw/zinc/25/68/07/776256807.db2.gz	URRNRIAJSAWGPW-NSHDSACASA-N	1	3	313.402	-1.135	20	0		DAADHO
CC(C)C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NC(N)=O)C1	ZINC001129329098	776256812	/nfs/dbraw/zinc/25/68/12/776256812.db2.gz	URRNRIAJSAWGPW-NSHDSACASA-N	1	3	313.402	-1.135	20	0		DAADHO
C[NH+](C)CCOCC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O	ZINC001100073420	776258150	/nfs/dbraw/zinc/25/81/50/776258150.db2.gz	CPJYQJHWXVIOLD-STQMWFEESA-N	1	3	303.403	-1.502	20	0		DAADHO
CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]1CCS(=O)(=O)C12CNC2	ZINC001157716994	776428292	/nfs/dbraw/zinc/42/82/92/776428292.db2.gz	VYWWJGHPNCGZIV-WDEREUQCSA-N	1	3	317.411	-1.790	20	0		DAADHO
C[NH+](C)[C@@H](C(=O)NCCNCC(=O)N1CCOCC1)C1CC1	ZINC001129436473	776470364	/nfs/dbraw/zinc/47/03/64/776470364.db2.gz	PKYMFIPVBIRPHB-CQSZACIVSA-N	1	3	312.414	-1.109	20	0		DAADHO
CN(C)[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)C1CC1	ZINC001129444009	776470777	/nfs/dbraw/zinc/47/07/77/776470777.db2.gz	OIDRIKFCFXYNBV-GFCCVEGCSA-N	1	3	311.386	-1.416	20	0		DAADHO
CC(C)[C@@H](C(=O)NCCNCCNS(C)(=O)=O)[NH+](C)C	ZINC001129949929	776487069	/nfs/dbraw/zinc/48/70/69/776487069.db2.gz	KJEKCVIEAQNART-NSHDSACASA-N	1	3	308.448	-1.172	20	0		DAADHO
CCN(C)C(C)(C)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O	ZINC001130427941	776509874	/nfs/dbraw/zinc/50/98/74/776509874.db2.gz	WDLMKAJIQREPTM-UHFFFAOYSA-N	1	3	313.402	-1.026	20	0		DAADHO
CN(CCC(=O)NCCNCC(=O)NC(N)=O)c1cc[nH+]cc1	ZINC001130556461	776516499	/nfs/dbraw/zinc/51/64/99/776516499.db2.gz	JASJFEJZQCUZQW-UHFFFAOYSA-N	1	3	322.369	-1.191	20	0		DAADHO
O=C(NCC[NH2+]CCn1cncn1)[C@H]1CN2CC3CC2(C3)CO1	ZINC001131521989	776571254	/nfs/dbraw/zinc/57/12/54/776571254.db2.gz	ODZPRTSJLKUHTB-JVWICGRDSA-N	1	3	320.397	-1.153	20	0		DAADHO
O=C(NCCN[C@@H]1CCNC1=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131519280	776571309	/nfs/dbraw/zinc/57/13/09/776571309.db2.gz	CJYFPSKBUGUPGY-OOLXCHQQSA-N	1	3	308.382	-1.556	20	0		DAADHO
O=C(NCCN[C@@H]1CCNC1=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1	ZINC001131519280	776571318	/nfs/dbraw/zinc/57/13/18/776571318.db2.gz	CJYFPSKBUGUPGY-OOLXCHQQSA-N	1	3	308.382	-1.556	20	0		DAADHO
O=C(NCC[NH2+]CCOCCO)[C@@H]1CN2CC3CC2(C3)CO1	ZINC001131519299	776573255	/nfs/dbraw/zinc/57/32/55/776573255.db2.gz	CSYSHRVKGYVXOC-OWYJLGKBSA-N	1	3	313.398	-1.436	20	0		DAADHO
CN1CC[C@H](NCCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O	ZINC001131521531	776574646	/nfs/dbraw/zinc/57/46/46/776574646.db2.gz	ANKWMBQVYXAHCI-BWAOXVRWSA-N	1	3	322.409	-1.214	20	0		DAADHO
CN1CC[C@H](NCCNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1=O	ZINC001131521531	776574654	/nfs/dbraw/zinc/57/46/54/776574654.db2.gz	ANKWMBQVYXAHCI-BWAOXVRWSA-N	1	3	322.409	-1.214	20	0		DAADHO
COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1	ZINC001131519427	776574938	/nfs/dbraw/zinc/57/49/38/776574938.db2.gz	FETZJAHCEVZWRQ-FMPXUHTOSA-N	1	3	313.398	-1.437	20	0		DAADHO
O=C(NCCN[C@@H]1CCCNC1=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131520238	776575121	/nfs/dbraw/zinc/57/51/21/776575121.db2.gz	VQKGBMKFQKATSA-LGESCRJUSA-N	1	3	322.409	-1.166	20	0		DAADHO
O=C(NCCN[C@@H]1CCCNC1=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1	ZINC001131520238	776575124	/nfs/dbraw/zinc/57/51/24/776575124.db2.gz	VQKGBMKFQKATSA-LGESCRJUSA-N	1	3	322.409	-1.166	20	0		DAADHO
C[C@H]1C[C@@H](C(=O)NCCNCCNS(C)(=O)=O)CC[N@@H+]1C	ZINC001132892817	776645412	/nfs/dbraw/zinc/64/54/12/776645412.db2.gz	BJCITNLUIWYNRC-RYUDHWBXSA-N	1	3	320.459	-1.028	20	0		DAADHO
C[C@H]1C[C@@H](C(=O)NCCNCCNS(C)(=O)=O)CC[N@H+]1C	ZINC001132892817	776645416	/nfs/dbraw/zinc/64/54/16/776645416.db2.gz	BJCITNLUIWYNRC-RYUDHWBXSA-N	1	3	320.459	-1.028	20	0		DAADHO
C[C@@H]1CN(C(=O)CNCCNC(=O)CC[NH+](C)C)CCO1	ZINC001133291187	776664240	/nfs/dbraw/zinc/66/42/40/776664240.db2.gz	KWMBLUNGIHAJPF-GFCCVEGCSA-N	1	3	300.403	-1.109	20	0		DAADHO
Cn1c(CNCCNC(=O)CC[NH+](C)C)cc(=O)n(C)c1=O	ZINC001133294780	776665323	/nfs/dbraw/zinc/66/53/23/776665323.db2.gz	UANSYOXPZVKQFR-UHFFFAOYSA-N	1	3	311.386	-1.759	20	0		DAADHO
C[C@H]1CCCN1CC(=O)NCC[NH2+]CCNS(C)(=O)=O	ZINC001133823973	776678439	/nfs/dbraw/zinc/67/84/39/776678439.db2.gz	USFQIGUPOZTNPN-NSHDSACASA-N	1	3	306.432	-1.274	20	0		DAADHO
CCS(=O)(=O)NCCNCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C	ZINC001133863780	776680400	/nfs/dbraw/zinc/68/04/00/776680400.db2.gz	PFCZPEYRELPTDW-NEPJUHHUSA-N	1	3	320.459	-1.171	20	0		DAADHO
CCS(=O)(=O)NCCNCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C	ZINC001133863780	776680414	/nfs/dbraw/zinc/68/04/14/776680414.db2.gz	PFCZPEYRELPTDW-NEPJUHHUSA-N	1	3	320.459	-1.171	20	0		DAADHO
CCS(=O)(=O)NCC[NH2+]CCNC(=O)CN1CC[C@@H](C)C1	ZINC001133849677	776680780	/nfs/dbraw/zinc/68/07/80/776680780.db2.gz	BSTFLVNEJAQXMX-GFCCVEGCSA-N	1	3	320.459	-1.027	20	0		DAADHO
C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCCN(C)S(C)(=O)=O	ZINC001133871215	776681118	/nfs/dbraw/zinc/68/11/18/776681118.db2.gz	YQALWLFKYFHNBQ-RYUDHWBXSA-N	1	3	320.459	-1.219	20	0		DAADHO
C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCCN(C)S(C)(=O)=O	ZINC001133871215	776681122	/nfs/dbraw/zinc/68/11/22/776681122.db2.gz	YQALWLFKYFHNBQ-RYUDHWBXSA-N	1	3	320.459	-1.219	20	0		DAADHO
C[NH+](C)CCn1cc(C(=O)NCCN[C@@H]2CCNC2=O)cn1	ZINC001135118414	776737316	/nfs/dbraw/zinc/73/73/16/776737316.db2.gz	MDEKFYORHUAYMJ-GFCCVEGCSA-N	1	3	308.386	-1.347	20	0		DAADHO
O=C([C@@H]1C[C@@H](NC[C@@H]2CNCCO2)C[NH2+]1)N1CCSC1	ZINC001246088091	776786882	/nfs/dbraw/zinc/78/68/82/776786882.db2.gz	ISAQNXKCHXOJNA-WOPDTQHZSA-N	1	3	300.428	-1.172	20	0		DAADHO
C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1	ZINC001119634176	779510565	/nfs/dbraw/zinc/51/05/65/779510565.db2.gz	BELAMPIHYDYPKW-ZDUSSCGKSA-N	1	3	311.430	-1.582	20	0		DAADHO
C[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)CN1CCN(C)CC1	ZINC001120524345	779525166	/nfs/dbraw/zinc/52/51/66/779525166.db2.gz	JBTDZIRKLBSKBQ-GFCCVEGCSA-N	1	3	311.430	-1.406	20	0		DAADHO
C[NH+](C)CCOCC(=O)NC[C@@H]1CN(CCO)CCCO1	ZINC001150587990	779663684	/nfs/dbraw/zinc/66/36/84/779663684.db2.gz	LHLXIJSVNXLBDI-CYBMUJFWSA-N	1	3	303.403	-1.236	20	0		DAADHO
CCCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001151048998	779668969	/nfs/dbraw/zinc/66/89/69/779668969.db2.gz	GNNDBMRHOSMKLX-NSHDSACASA-N	1	3	313.402	-1.120	20	0		DAADHO
CCCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001151048998	779668972	/nfs/dbraw/zinc/66/89/72/779668972.db2.gz	GNNDBMRHOSMKLX-NSHDSACASA-N	1	3	313.402	-1.120	20	0		DAADHO
O=C([C@H]1C[NH2+]CC12CNC2)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC001157498239	779755783	/nfs/dbraw/zinc/75/57/83/779755783.db2.gz	YFNKVGLSVZUGKY-OLZOCXBDSA-N	1	3	322.409	-1.355	20	0		DAADHO
CN(C[C@H]1CNCCO1)C(=O)CN(CC[NH3+])S(C)(=O)=O	ZINC001157715146	779756891	/nfs/dbraw/zinc/75/68/91/779756891.db2.gz	BUYKFFBNRZBTIS-SNVBAGLBSA-N	1	3	308.404	-2.347	20	0		DAADHO
CN(C[C@H]1CNCCO1)C(=O)c1cnc(N2CC[NH2+]CC2)cn1	ZINC001157720416	779757907	/nfs/dbraw/zinc/75/79/07/779757907.db2.gz	IRRMAAQMJZSGPW-GFCCVEGCSA-N	1	3	320.397	-1.053	20	0		DAADHO
CN(C[C@@H]1CNCCO1)C(=O)[C@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001157716173	779757958	/nfs/dbraw/zinc/75/79/58/779757958.db2.gz	MEWNOMOMRRLHOT-NWDGAFQWSA-N	1	3	310.398	-1.451	20	0		DAADHO
O=C([C@H]1CNCc2ccnn2C1)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158091372	779765705	/nfs/dbraw/zinc/76/57/05/779765705.db2.gz	BUDUXMROOQBHRA-NHYWBVRUSA-N	1	3	318.381	-1.707	20	0		DAADHO
O=C([C@@H]1COC2(CNC2)CN1)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158093926	779766123	/nfs/dbraw/zinc/76/61/23/779766123.db2.gz	YSAUCPCAAKDBCD-GXFFZTMASA-N	1	3	309.370	-2.993	20	0		DAADHO
NC(=O)NCCC[C@H](N)C(=O)N1CCOC2(CC[NH2+]CC2)C1	ZINC001158071151	779766149	/nfs/dbraw/zinc/76/61/49/779766149.db2.gz	WVXMLTSOXCXSAX-NSHDSACASA-N	1	3	313.402	-1.257	20	0		DAADHO
N[C@H](C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)C1CCC(O)CC1	ZINC001158100717	779767184	/nfs/dbraw/zinc/76/71/84/779767184.db2.gz	AZTYLPSJSYYQNV-JTEKXYAQSA-N	1	3	310.398	-1.445	20	0		DAADHO
CN1CCNC[C@@H]1C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158118828	779768624	/nfs/dbraw/zinc/76/86/24/779768624.db2.gz	DQHXXBUEYWAHNI-ABAIWWIYSA-N	1	3	307.398	-2.172	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158118631	779768752	/nfs/dbraw/zinc/76/87/52/779768752.db2.gz	CBINUVQNWGVDBE-AMJWSMQMSA-N	1	3	323.397	-2.224	20	0		DAADHO
N[C@@H](CC(F)F)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158121482	779769558	/nfs/dbraw/zinc/76/95/58/779769558.db2.gz	UUWCVZURXSQCIV-SDBXPKJASA-N	1	3	302.325	-1.093	20	0		DAADHO
NC(C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)C(F)(F)F	ZINC001158121468	779770146	/nfs/dbraw/zinc/77/01/46/779770146.db2.gz	UQLSCOURGORMAE-WRWORJQWSA-N	1	3	306.288	-1.186	20	0		DAADHO
N[C@@H](C(=O)N1CCC2(CC1)COCC(=O)N2)C1CC[NH2+]CC1	ZINC001158326659	779773936	/nfs/dbraw/zinc/77/39/36/779773936.db2.gz	KDYPZMQTCPCQOO-CYBMUJFWSA-N	1	3	310.398	-1.179	20	0		DAADHO
C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC[C@@H]2[NH2+]C[C@H]21)C(N)=O	ZINC001158421079	779775171	/nfs/dbraw/zinc/77/51/71/779775171.db2.gz	CBYXRVFSCGPDKS-UKKRHICBSA-N	1	3	311.386	-1.953	20	0		DAADHO
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1CNCCN1C	ZINC001158505825	779776814	/nfs/dbraw/zinc/77/68/14/779776814.db2.gz	FVIXKKTYAPRIJM-WUHRBBMRSA-N	1	3	310.398	-1.358	20	0		DAADHO
CNC(=O)CN1CCCC12CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)CC2	ZINC001158890818	779781820	/nfs/dbraw/zinc/78/18/20/779781820.db2.gz	NXIDLLVRJCLIPY-OLZOCXBDSA-N	1	3	324.425	-1.230	20	0		DAADHO
NC[C@H](N)C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1	ZINC001159403647	779794207	/nfs/dbraw/zinc/79/42/07/779794207.db2.gz	QZPKFJUYFMTMLU-ZDEQEGDKSA-N	1	3	320.397	-1.280	20	0		DAADHO
C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H](N)CN)CCC2	ZINC001160373373	779804580	/nfs/dbraw/zinc/80/45/80/779804580.db2.gz	ZDMPNJLHSQBKGD-LBPRGKRZSA-N	1	3	324.429	-1.020	20	0		DAADHO
COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@H](N)CCC[NH3+]	ZINC001160494275	779809360	/nfs/dbraw/zinc/80/93/60/779809360.db2.gz	RZXBEILJWNJPNU-KHQFGBGNSA-N	1	3	319.383	-1.331	20	0		DAADHO
COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H](N)CCC[NH3+]	ZINC001160494279	779809558	/nfs/dbraw/zinc/80/95/58/779809558.db2.gz	RZXBEILJWNJPNU-OYNCUSHFSA-N	1	3	319.383	-1.331	20	0		DAADHO
N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]1COC2(CNC2)CN1	ZINC001160539424	779810712	/nfs/dbraw/zinc/81/07/12/779810712.db2.gz	SNDNUPLHMCGXCI-JQWIXIFHSA-N	1	3	318.381	-1.242	20	0		DAADHO
COC(=O)C[C@@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])CCO1	ZINC001160595497	779811958	/nfs/dbraw/zinc/81/19/58/779811958.db2.gz	CPGWTRYUCMNXOF-ZJUUUORDSA-N	1	3	305.400	-1.204	20	0		DAADHO
CCOC(=O)[C@@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])CCO1	ZINC001160595566	779812235	/nfs/dbraw/zinc/81/22/35/779812235.db2.gz	FKHRPZLFXTWEEI-UWVGGRQHSA-N	1	3	305.400	-1.204	20	0		DAADHO
COC(=O)C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCO1	ZINC001160596496	779812291	/nfs/dbraw/zinc/81/22/91/779812291.db2.gz	QDZODSMGNPPNLK-LALPHHSUSA-N	1	3	311.382	-1.024	20	0		DAADHO
CCOC(=O)[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCO1	ZINC001160596250	779812561	/nfs/dbraw/zinc/81/25/61/779812561.db2.gz	DWLYMIGJURIARX-TYNCELHUSA-N	1	3	311.382	-1.024	20	0		DAADHO
N[C@@H](CSCC[NH3+])C(=O)N1CCc2[nH]c(=O)[nH]c(=O)c2C1	ZINC001160640765	779813072	/nfs/dbraw/zinc/81/30/72/779813072.db2.gz	OUNSMFMLLBPWKT-QMMMGPOBSA-N	1	3	313.383	-1.208	20	0		DAADHO
CN1CCN(C2CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C2)CC1=O	ZINC001160637247	779813620	/nfs/dbraw/zinc/81/36/20/779813620.db2.gz	SJNLWNKQMUVBNN-LBPRGKRZSA-N	1	3	307.398	-2.220	20	0		DAADHO
O=C(N1CCc2[nH]c(=O)[nH]c(=O)c2C1)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001160641018	779814462	/nfs/dbraw/zinc/81/44/62/779814462.db2.gz	UMOABTDTEALADD-RFAUZJTJSA-N	1	3	319.365	-1.028	20	0		DAADHO
CS(=O)(=O)NC1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1	ZINC001160657458	779815341	/nfs/dbraw/zinc/81/53/41/779815341.db2.gz	JEWXGKDFNIBHPL-BXKDBHETSA-N	1	3	302.400	-2.055	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1	ZINC001160705189	779816129	/nfs/dbraw/zinc/81/61/29/779816129.db2.gz	UNLIJAUHKSWBOK-MMWGEVLESA-N	1	3	311.386	-2.286	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1	ZINC001160705189	779816138	/nfs/dbraw/zinc/81/61/38/779816138.db2.gz	UNLIJAUHKSWBOK-MMWGEVLESA-N	1	3	311.386	-2.286	20	0		DAADHO
CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1	ZINC001160746275	779816643	/nfs/dbraw/zinc/81/66/43/779816643.db2.gz	FHCMSNBDLNJYJO-CHWSQXEVSA-N	1	3	324.425	-1.061	20	0		DAADHO
CCNC(=O)CO[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1	ZINC001160746278	779816663	/nfs/dbraw/zinc/81/66/63/779816663.db2.gz	FHCMSNBDLNJYJO-STQMWFEESA-N	1	3	324.425	-1.061	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)CC[NH+]1CCCC1	ZINC001160689415	779816982	/nfs/dbraw/zinc/81/69/82/779816982.db2.gz	WHDZJMSCZQQEMK-QWRGUYRKSA-N	1	3	313.402	-1.752	20	0		DAADHO
O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC2(CC1)CNC(=O)CO2	ZINC001160771566	779817823	/nfs/dbraw/zinc/81/78/23/779817823.db2.gz	AGBLVFSENSXTAK-NSHDSACASA-N	1	3	308.382	-1.697	20	0		DAADHO
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@](C)(N)CO)C[C@H]1C2	ZINC001160791960	779819486	/nfs/dbraw/zinc/81/94/86/779819486.db2.gz	JMHKZPJLSBRIPQ-QPTZUFNXSA-N	1	3	311.382	-1.447	20	0		DAADHO
CN(C)C[C@H]1COCCN1C(=O)CN(CC[NH3+])S(C)(=O)=O	ZINC001160838409	779820958	/nfs/dbraw/zinc/82/09/58/779820958.db2.gz	IJWZHVFIVKEUKV-NSHDSACASA-N	1	3	322.431	-2.004	20	0		DAADHO
C[NH+](C)C[C@H]1COCCN1C(=O)[C@H](N)CCCNC(N)=O	ZINC001160838855	779822123	/nfs/dbraw/zinc/82/21/23/779822123.db2.gz	OVQZOWYVGKXQSQ-WDEREUQCSA-N	1	3	301.391	-1.449	20	0		DAADHO
O=C([C@@H]1COC2(CNC2)CN1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1	ZINC001160999592	779822570	/nfs/dbraw/zinc/82/25/70/779822570.db2.gz	IACRXISCKJSTJU-RYUDHWBXSA-N	1	3	310.398	-1.968	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[NH3+]	ZINC001161063391	779824895	/nfs/dbraw/zinc/82/48/95/779824895.db2.gz	MGZCJQKQJYXRRL-NAKRPEOUSA-N	1	3	313.402	-1.578	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)[C@H]1CCCC[C@H]1[NH3+]	ZINC001161063393	779824915	/nfs/dbraw/zinc/82/49/15/779824915.db2.gz	MGZCJQKQJYXRRL-VLEAKVRGSA-N	1	3	313.402	-1.578	20	0		DAADHO
CCOC(=O)[C@@H]1COCCN1C(=O)[C@@H](N)CSCC[NH3+]	ZINC001161093764	779826270	/nfs/dbraw/zinc/82/62/70/779826270.db2.gz	WPKXGKHKLNJQLJ-UWVGGRQHSA-N	1	3	305.400	-1.204	20	0		DAADHO
COC(=O)[C@]1(N)CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1	ZINC001161138533	779827768	/nfs/dbraw/zinc/82/77/68/779827768.db2.gz	UVBACQYDALKXQF-NHYWBVRUSA-N	1	3	310.398	-1.037	20	0		DAADHO
COC(=O)[C@]1(N)CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1	ZINC001161138533	779827771	/nfs/dbraw/zinc/82/77/71/779827771.db2.gz	UVBACQYDALKXQF-NHYWBVRUSA-N	1	3	310.398	-1.037	20	0		DAADHO
COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001161237584	779830556	/nfs/dbraw/zinc/83/05/56/779830556.db2.gz	MWCHLZSDDQWHAO-TYNCELHUSA-N	1	3	310.398	-1.499	20	0		DAADHO
N[C@@H](CSCC[NH3+])C(=O)N1CCN(c2ncncn2)CC1	ZINC001161247305	779830746	/nfs/dbraw/zinc/83/07/46/779830746.db2.gz	CHLAAABQQRGKAA-JTQLQIEISA-N	1	3	311.415	-1.461	20	0		DAADHO
COC(=O)[C@@H]1CN(C(=O)[C@@H](N)CCCC[NH3+])CCN1C(C)=O	ZINC001161295311	779833558	/nfs/dbraw/zinc/83/35/58/779833558.db2.gz	IORCOZGBROKKKB-RYUDHWBXSA-N	1	3	314.386	-1.325	20	0		DAADHO
COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CCN1C(C)=O	ZINC001161297218	779833639	/nfs/dbraw/zinc/83/36/39/779833639.db2.gz	WAZUJUVHPFJRPS-RYUDHWBXSA-N	1	3	324.381	-1.972	20	0		DAADHO
COC(=O)[C@@]1(C)COCCN1C(=O)[C@@H](N)CSCC[NH3+]	ZINC001161371627	779834092	/nfs/dbraw/zinc/83/40/92/779834092.db2.gz	GBYSBBPDZYKQDP-JOYOIKCWSA-N	1	3	305.400	-1.204	20	0		DAADHO
COC(=O)[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)CCN1C(C)=O	ZINC001161297220	779834333	/nfs/dbraw/zinc/83/43/33/779834333.db2.gz	WAZUJUVHPFJRPS-VXGBXAGGSA-N	1	3	324.381	-1.972	20	0		DAADHO
CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)[C@@H]1CCC[NH2+]C1	ZINC001161342234	779834378	/nfs/dbraw/zinc/83/43/78/779834378.db2.gz	ZZHHSPRRYKDLRE-AXFHLTTASA-N	1	3	313.402	-1.706	20	0		DAADHO
COC(=O)[C@@H]1CN(C(=O)[C@@H](N)CCC[NH3+])CCN1C(C)=O	ZINC001161295576	779834577	/nfs/dbraw/zinc/83/45/77/779834577.db2.gz	MBQDYFUMSQQRIQ-QWRGUYRKSA-N	1	3	300.359	-1.715	20	0		DAADHO
CC(C)N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)[C@H]1CC[NH2+]C1	ZINC001161352587	779834938	/nfs/dbraw/zinc/83/49/38/779834938.db2.gz	CWXVFKUQPZGKRM-DCAQKATOSA-N	1	3	313.402	-1.707	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1	ZINC001161413630	779835483	/nfs/dbraw/zinc/83/54/83/779835483.db2.gz	RBIXVYIKCDVUTJ-HHKYUTTNSA-N	1	3	311.386	-2.111	20	0		DAADHO
O=C([C@@H]1COC2(CNC2)CN1)N1CCO[C@H](C[NH+]2CCCC2)C1	ZINC001161382428	779835755	/nfs/dbraw/zinc/83/57/55/779835755.db2.gz	XNUSTMZQFCHZRO-KGLIPLIRSA-N	1	3	324.425	-1.360	20	0		DAADHO
O=C([C@H]1COC2(CNC2)CN1)N1CCO[C@H](C[NH+]2CCCC2)C1	ZINC001161382430	779835778	/nfs/dbraw/zinc/83/57/78/779835778.db2.gz	XNUSTMZQFCHZRO-ZIAGYGMSSA-N	1	3	324.425	-1.360	20	0		DAADHO
[NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C34CNC4)C[C@@H]12	ZINC001161411824	779835887	/nfs/dbraw/zinc/83/58/87/779835887.db2.gz	BEOXOGCKCAWNSS-DDHJBXDOSA-N	1	3	313.423	-1.041	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1	ZINC001161413631	779836005	/nfs/dbraw/zinc/83/60/05/779836005.db2.gz	RBIXVYIKCDVUTJ-MFDAYCCISA-N	1	3	311.386	-2.111	20	0		DAADHO
COC(=O)CC[C@@H]1COCCN1C(=O)[C@H]1C[NH2+]CC12CNC2	ZINC001161564535	779841622	/nfs/dbraw/zinc/84/16/22/779841622.db2.gz	BUNDRXBWXYHGEX-VXGBXAGGSA-N	1	3	311.382	-1.024	20	0		DAADHO
[NH3+][C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)CC12COC2	ZINC001161511175	779842792	/nfs/dbraw/zinc/84/27/92/779842792.db2.gz	YAWKKBPAFTYHOO-VHSXEESVSA-N	1	3	315.395	-2.051	20	0		DAADHO
C[C@H]1CCN(CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1	ZINC001166677200	779891956	/nfs/dbraw/zinc/89/19/56/779891956.db2.gz	GQADACGOKARAOL-LBPRGKRZSA-N	1	3	320.459	-1.027	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1	ZINC001166667924	779892365	/nfs/dbraw/zinc/89/23/65/779892365.db2.gz	LKNAUPWYWPCLNV-NSHDSACASA-N	1	3	313.402	-1.120	20	0		DAADHO
CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001207683984	779923733	/nfs/dbraw/zinc/92/37/33/779923733.db2.gz	JCDPMRNJWCNATF-GHMZBOCLSA-N	1	3	311.386	-1.144	20	0		DAADHO
CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1)N(C)C	ZINC001215571187	780009007	/nfs/dbraw/zinc/00/90/07/780009007.db2.gz	CZCIIPGKPOSOLQ-MXWKQRLJSA-N	1	3	313.402	-1.042	20	0		DAADHO
C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCC(=O)NC(N)=O	ZINC001216405235	780013512	/nfs/dbraw/zinc/01/35/12/780013512.db2.gz	IWGAWYUSLWJPLD-GHMZBOCLSA-N	1	3	323.397	-1.286	20	0		DAADHO
N[C@H]1C[NH2+][C@H](C(=O)Nc2cnn(CCN3CCOCC3)c2)C1	ZINC001218669357	780038298	/nfs/dbraw/zinc/03/82/98/780038298.db2.gz	PUPVRGOQHDFVFL-YPMHNXCESA-N	1	3	308.386	-1.157	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cccc2c1C[NH2+]C2	ZINC001218993268	780045592	/nfs/dbraw/zinc/04/55/92/780045592.db2.gz	LVWNVTBSXRDXAA-UFBFGSQYSA-N	1	3	319.365	-1.064	20	0		DAADHO
N[C@@H](CSCC[NH3+])C(=O)NCCC(=O)N1CCOCC1	ZINC001219573466	780118737	/nfs/dbraw/zinc/11/87/37/780118737.db2.gz	NNKBOBWDIBFBNU-JTQLQIEISA-N	1	3	304.416	-1.629	20	0		DAADHO
CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N(CC[NH3+])S(C)(=O)=O	ZINC001219595435	780122738	/nfs/dbraw/zinc/12/27/38/780122738.db2.gz	AEHXGXAAFOAUIL-UWVGGRQHSA-N	1	3	322.431	-1.389	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1C[NH2+]C[C@H](C)C1	ZINC001219650116	780128556	/nfs/dbraw/zinc/12/85/56/780128556.db2.gz	MLEOIMAYCXEOEZ-YTWAJWBKSA-N	1	3	313.402	-1.944	20	0		DAADHO
[NH3+][C@@H]1CN[C@H](C(=O)NCCS(=O)(=O)N2CCNCC2)C1	ZINC001219678294	780132484	/nfs/dbraw/zinc/13/24/84/780132484.db2.gz	JSCFINIOIJADKT-UWVGGRQHSA-N	1	3	305.404	-2.973	20	0		DAADHO
N[C@@H]1C[NH2+][C@H](C(=O)NCCS(=O)(=O)N2CCNCC2)C1	ZINC001219678294	780132487	/nfs/dbraw/zinc/13/24/87/780132487.db2.gz	JSCFINIOIJADKT-UWVGGRQHSA-N	1	3	305.404	-2.973	20	0		DAADHO
O=C(NCCC1(O)C[NH2+]C1)[C@H]1CCS(=O)(=O)C12CNC2	ZINC001219696277	780135768	/nfs/dbraw/zinc/13/57/68/780135768.db2.gz	FRMDEBZBWCFRSR-SECBINFHSA-N	1	3	303.384	-2.396	20	0		DAADHO
N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N[C@@H]1C[NH2+]C[C@H]1O	ZINC001219711738	780136168	/nfs/dbraw/zinc/13/61/68/780136168.db2.gz	HIYPZLXYGSPOQW-HOSYDEDBSA-N	1	3	322.369	-2.237	20	0		DAADHO
N[C@H]1COC[C@H]1NC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2	ZINC001219719961	780138053	/nfs/dbraw/zinc/13/80/53/780138053.db2.gz	BIWPOWQMEFZHTH-OUAUKWLOSA-N	1	3	317.411	-1.757	20	0		DAADHO
CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)nc1	ZINC001219716313	780138419	/nfs/dbraw/zinc/13/84/19/780138419.db2.gz	JWSKMEZBJGUPET-LBPRGKRZSA-N	1	3	324.406	-1.090	20	0		DAADHO
N[C@H]1CCCCN(CC(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)C1=O	ZINC001219737037	780138768	/nfs/dbraw/zinc/13/87/68/780138768.db2.gz	NJMTVJXOXNEABW-NEPJUHHUSA-N	1	3	310.398	-1.179	20	0		DAADHO
O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C12CNC2	ZINC001219768274	780146732	/nfs/dbraw/zinc/14/67/32/780146732.db2.gz	LSOAYCZMCBFPRR-CMPLNLGQSA-N	1	3	319.402	-1.029	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@]1(F)CCC[NH2+]C1	ZINC001219770869	780146791	/nfs/dbraw/zinc/14/67/91/780146791.db2.gz	GAEXKOKSGZRKLC-MWODSPESSA-N	1	3	317.365	-2.098	20	0		DAADHO
O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1COC2(CNC2)CN1	ZINC001219799992	780147506	/nfs/dbraw/zinc/14/75/06/780147506.db2.gz	FXKKEQJELPCKFI-NEPJUHHUSA-N	1	3	310.398	-1.798	20	0		DAADHO
CC(C)(O)[C@H](N)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219834313	780153404	/nfs/dbraw/zinc/15/34/04/780153404.db2.gz	PKTTUIOLBKENPJ-JTNHKYCSSA-N	1	3	301.387	-1.404	20	0		DAADHO
N[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219833344	780153448	/nfs/dbraw/zinc/15/34/48/780153448.db2.gz	CCQDRARTRBEHJU-LNSITVRQSA-N	1	3	323.397	-1.209	20	0		DAADHO
CN1CCNC[C@@H]1C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219837656	780155377	/nfs/dbraw/zinc/15/53/77/780155377.db2.gz	KORGYRHJIVYIIU-GUTXKFCHSA-N	1	3	312.414	-1.599	20	0		DAADHO
COC(=O)[C@@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C1CCOCC1	ZINC001220025632	780172269	/nfs/dbraw/zinc/17/22/69/780172269.db2.gz	UCIFIVVCNHAFTF-RYUDHWBXSA-N	1	3	311.382	-1.120	20	0		DAADHO
CS(=O)(=O)N1CC(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1	ZINC001220145379	780184220	/nfs/dbraw/zinc/18/42/20/780184220.db2.gz	ACSPWTDEHMQNSU-BXKDBHETSA-N	1	3	302.400	-2.055	20	0		DAADHO
CN(C)S(=O)(=O)CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1	ZINC001220268321	780197345	/nfs/dbraw/zinc/19/73/45/780197345.db2.gz	CZTRKSQBSQGNBN-NSHDSACASA-N	1	3	318.443	-1.132	20	0		DAADHO
CN(C)S(=O)(=O)CCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1	ZINC001220268321	780197348	/nfs/dbraw/zinc/19/73/48/780197348.db2.gz	CZTRKSQBSQGNBN-NSHDSACASA-N	1	3	318.443	-1.132	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](C)C(=O)NCc1ncn2c1C[NH2+]CCC2	ZINC001220313248	780201810	/nfs/dbraw/zinc/20/18/10/780201810.db2.gz	MZRKDPMKJKZXPX-UWVGGRQHSA-N	1	3	308.386	-1.156	20	0		DAADHO
[NH3+]CCOCCOCC(=O)NCc1ncn2c1CNCCC2	ZINC001220311923	780201998	/nfs/dbraw/zinc/20/19/98/780201998.db2.gz	UCLAEGVFHZSTTD-UHFFFAOYSA-N	1	3	311.386	-1.016	20	0		DAADHO
O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1COC2(CNC2)CN1	ZINC001220317224	780202590	/nfs/dbraw/zinc/20/25/90/780202590.db2.gz	WZMXNEFJCMEJRR-OUCADQQQSA-N	1	3	310.398	-1.656	20	0		DAADHO
C[C@H](N)C(=O)N[C@H](CCC(=O)NCC1([NH3+])CCCC1)C(N)=O	ZINC001220497084	780218237	/nfs/dbraw/zinc/21/82/37/780218237.db2.gz	JWXYQYSHDODXKU-VHSXEESVSA-N	1	3	313.402	-1.528	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]([NH3+])c1ccccc1	ZINC001220504248	780219711	/nfs/dbraw/zinc/21/97/11/780219711.db2.gz	WIHOCWYGLVMBOM-WCQGTBRESA-N	1	3	321.381	-1.490	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCN(C)CC[NH3+]	ZINC001220517749	780221772	/nfs/dbraw/zinc/22/17/72/780221772.db2.gz	YGEQWJIUAIXFLB-IUCAKERBSA-N	1	3	302.379	-3.300	20	0		DAADHO
CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCCOCCOCC[NH3+]	ZINC001220519076	780221919	/nfs/dbraw/zinc/22/19/19/780221919.db2.gz	ABOZOJCCXCMLPH-AAEUAGOBSA-N	1	3	318.418	-1.416	20	0		DAADHO
CCOC(=O)C1=C(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCNC1	ZINC001220522950	780223270	/nfs/dbraw/zinc/22/32/70/780223270.db2.gz	HNVYUWBBIWEJSY-LBPRGKRZSA-N	1	3	324.381	-1.219	20	0		DAADHO
COC(=O)CNC(=O)CNC(=O)[C@@H](N)CCCC[NH2+]C(C)C	ZINC001220576218	780229894	/nfs/dbraw/zinc/22/98/94/780229894.db2.gz	VTTVJOMLDMOZCZ-NSHDSACASA-N	1	3	316.402	-1.113	20	0		DAADHO
N[C@@H](CCCC[NH3+])C(=O)NCCCN1CCS(=O)(=O)CC1	ZINC001220756295	780244067	/nfs/dbraw/zinc/24/40/67/780244067.db2.gz	AICTWFKVRIFOMX-LBPRGKRZSA-N	1	3	320.459	-1.321	20	0		DAADHO
CCOC(=O)C1=C(NC(=O)[C@@H](N)CC[S@](C)=O)C[NH2+]C1	ZINC001220829111	780251209	/nfs/dbraw/zinc/25/12/09/780251209.db2.gz	XVDMXTPTIUOALW-LXGOIASLSA-N	1	3	303.384	-1.381	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C[NH3+])C(C)(C)C	ZINC001220859645	780252621	/nfs/dbraw/zinc/25/26/21/780252621.db2.gz	IBPFXONYHJYXOL-CIUDSAMLSA-N	1	3	301.391	-1.817	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccccc1C[NH3+]	ZINC001220855124	780253197	/nfs/dbraw/zinc/25/31/97/780253197.db2.gz	MYFNSWZVLJFVIM-CABZTGNLSA-N	1	3	321.381	-1.531	20	0		DAADHO
NC[C@@H]([NH3+])c1ccc(C(=O)NCCN2CCNCC2=O)cc1	ZINC001220877006	780254618	/nfs/dbraw/zinc/25/46/18/780254618.db2.gz	RQYNONYLHNZNJZ-CYBMUJFWSA-N	1	3	305.382	-1.193	20	0		DAADHO
O=C(NCCOCCN1C(=O)C=CC1=O)[C@H]1C[NH2+]CC12CNC2	ZINC001220877414	780254941	/nfs/dbraw/zinc/25/49/41/780254941.db2.gz	ZDNYLJPFCNLWAT-LLVKDONJSA-N	1	3	322.365	-2.147	20	0		DAADHO
N[C@@H](C(=O)NCCOCCN1C(=O)C=CC1=O)C1CC[NH2+]CC1	ZINC001220878903	780256963	/nfs/dbraw/zinc/25/69/63/780256963.db2.gz	WAIMTBKHUZOQJZ-CQSZACIVSA-N	1	3	324.381	-1.629	20	0		DAADHO
COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CC23CNC3)CC1	ZINC001221006670	780268192	/nfs/dbraw/zinc/26/81/92/780268192.db2.gz	LDVLDZJWBLPNFS-AVGNSLFASA-N	1	3	324.425	-1.015	20	0		DAADHO
COCCC1([NH3+])CCN(C(=O)[C@@H]2COC3(CNC3)CN2)CC1	ZINC001221133957	780278209	/nfs/dbraw/zinc/27/82/09/780278209.db2.gz	DHPRSJAZDMABIJ-LBPRGKRZSA-N	1	3	312.414	-1.327	20	0		DAADHO
COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](N)CCCNC(N)=O	ZINC001221187636	780281485	/nfs/dbraw/zinc/28/14/85/780281485.db2.gz	CQZZWNIQEQJIGO-BDAKNGLRSA-N	1	3	303.363	-1.841	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@]1(C)CCC[N@H+](C)C1	ZINC001221244318	780285471	/nfs/dbraw/zinc/28/54/71/780285471.db2.gz	WGJAMDVPQONLSJ-PKFCDNJMSA-N	1	3	313.402	-1.706	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@]1(C)CCC[N@@H+](C)C1	ZINC001221244318	780285488	/nfs/dbraw/zinc/28/54/88/780285488.db2.gz	WGJAMDVPQONLSJ-PKFCDNJMSA-N	1	3	313.402	-1.706	20	0		DAADHO
CN1CCC[C@](C)(NC(=O)CN(CC[NH3+])S(C)(=O)=O)C1	ZINC001221241330	780285946	/nfs/dbraw/zinc/28/59/46/780285946.db2.gz	SOSWOIFYOBEQPV-LBPRGKRZSA-N	1	3	306.432	-1.193	20	0		DAADHO
O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@H]1CCS(=O)(=O)C12CNC2	ZINC001221367226	780291519	/nfs/dbraw/zinc/29/15/19/780291519.db2.gz	NVOQVPFFOUOXFB-OPRDCNLKSA-N	1	3	305.375	-1.421	20	0		DAADHO
C[NH+]1CCC(CO)(NC(=O)CN2CCCC[C@H](N)C2=O)CC1	ZINC001221402741	780291714	/nfs/dbraw/zinc/29/17/14/780291714.db2.gz	LMKFDTUHWROUFQ-LBPRGKRZSA-N	1	3	312.414	-1.101	20	0		DAADHO
CN1CCC(CO)(NC(=O)CN(CC[NH3+])S(C)(=O)=O)CC1	ZINC001221402295	780292414	/nfs/dbraw/zinc/29/24/14/780292414.db2.gz	CEMFGRWSGAVHGG-UHFFFAOYSA-N	1	3	322.431	-2.220	20	0		DAADHO
CCOC(=O)C[C@]1([N-]S(=O)(=O)[C@@H]2CC[NH2+]C2)CC[NH2+]C1	ZINC001238220492	780437192	/nfs/dbraw/zinc/43/71/92/780437192.db2.gz	LASOYWHXNLBOGX-ZYHUDNBSSA-N	1	3	305.400	-1.047	20	0		DAADHO
COC(=O)[C@@H]([N-]S(=O)(=O)C1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1	ZINC001238898258	780439002	/nfs/dbraw/zinc/43/90/02/780439002.db2.gz	PQTCJNQJGFDUHM-KOLCDFICSA-N	1	3	305.400	-1.191	20	0		DAADHO
NC(=O)[C@@H](N)CCCCNS(=O)(=O)CC1CC[NH2+]CC1	ZINC001238837091	780439278	/nfs/dbraw/zinc/43/92/78/780439278.db2.gz	QFCWSXOUHUAZCC-NSHDSACASA-N	1	3	306.432	-1.112	20	0		DAADHO
CCOC(=O)C1([N-]S(=O)(=O)[C@@H]2CC[NH2+]C2)CC[NH2+]CC1	ZINC001238886310	780439787	/nfs/dbraw/zinc/43/97/87/780439787.db2.gz	CXVQQQXQDZXDLR-SNVBAGLBSA-N	1	3	305.400	-1.047	20	0		DAADHO
COC(=O)[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@@H]1N	ZINC001239132998	780444122	/nfs/dbraw/zinc/44/41/22/780444122.db2.gz	AULFYQMNXDBEQD-MNOVXSKESA-N	1	3	305.400	-1.252	20	0		DAADHO
COC(=O)[C@@H]1CNCCN1C[C@@H](O)CC1(O)CC[NH2+]CC1	ZINC001246028108	780447939	/nfs/dbraw/zinc/44/79/39/780447939.db2.gz	ZFTNNXJTCVYOQE-RYUDHWBXSA-N	1	3	301.387	-1.701	20	0		DAADHO
COC(=O)[C@H]1CNCCN1C[C@@H](O)CC1(O)CC[NH2+]CC1	ZINC001246028071	780447996	/nfs/dbraw/zinc/44/79/96/780447996.db2.gz	ZFTNNXJTCVYOQE-NWDGAFQWSA-N	1	3	301.387	-1.701	20	0		DAADHO
COC(=O)[C@@H]1C[C@H](NC[C@H](O)CC2(O)CC[NH2+]CC2)CN1	ZINC001245981893	780448186	/nfs/dbraw/zinc/44/81/86/780448186.db2.gz	CXHSBMJLTOUJNX-TUAOUCFPSA-N	1	3	301.387	-1.655	20	0		DAADHO
COC(=O)[C@@H]1CNCCN1C[C@H](O)CC1(O)CC[NH2+]CC1	ZINC001246028070	780448459	/nfs/dbraw/zinc/44/84/59/780448459.db2.gz	ZFTNNXJTCVYOQE-NEPJUHHUSA-N	1	3	301.387	-1.701	20	0		DAADHO
COC(=O)[C@@H]1C[C@H](NCCOCCOCCOCC[NH3+])CN1	ZINC001246289195	780452047	/nfs/dbraw/zinc/45/20/47/780452047.db2.gz	NVGSNLHBBJJXKX-STQMWFEESA-N	1	3	319.402	-1.512	20	0		DAADHO
COC(=O)[C@@H]1C[C@@H](NCCOCCOCCOCC[NH3+])CN1	ZINC001246289190	780453271	/nfs/dbraw/zinc/45/32/71/780453271.db2.gz	NVGSNLHBBJJXKX-OLZOCXBDSA-N	1	3	319.402	-1.512	20	0		DAADHO
CS(=O)(=O)N1CCC([NH2+]CCCC[C@H](N)C(N)=O)CC1	ZINC001246420733	780454217	/nfs/dbraw/zinc/45/42/17/780454217.db2.gz	ZUYAFLDGBQFGLK-NSHDSACASA-N	1	3	306.432	-1.017	20	0		DAADHO
O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1C[NH2+]CC[C@H]1F)O3	ZINC001247007140	780458340	/nfs/dbraw/zinc/45/83/40/780458340.db2.gz	BNGIAVCDENVABY-JCIQBVFBSA-N	1	3	305.375	-1.169	20	0		DAADHO
O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1CC[NH2+]C[C@@H]1F)O3	ZINC001247012600	780460118	/nfs/dbraw/zinc/46/01/18/780460118.db2.gz	UZQABXDVOFQANN-DGORSVRFSA-N	1	3	305.375	-1.169	20	0		DAADHO
O=C(C(=O)N1CCNCCNCC1)N1CCC[N@@H+]2CCC[C@@H]2C1	ZINC001262203396	780567846	/nfs/dbraw/zinc/56/78/46/780567846.db2.gz	SMCWYMZCEQHIQR-CQSZACIVSA-N	1	3	323.441	-1.296	20	0		DAADHO
O=C(C(=O)N1CCNCCNCC1)N1CCC[N@H+]2CCC[C@@H]2C1	ZINC001262203396	780567849	/nfs/dbraw/zinc/56/78/49/780567849.db2.gz	SMCWYMZCEQHIQR-CQSZACIVSA-N	1	3	323.441	-1.296	20	0		DAADHO
CN(C[C@@H](O)C[NH2+]CCN1CCCC1=O)C(=O)Cc1c[nH]cn1	ZINC001284447149	780817525	/nfs/dbraw/zinc/81/75/25/780817525.db2.gz	RDMZEBMRDFNHKT-ZDUSSCGKSA-N	1	3	323.397	-1.017	20	0		DAADHO
CC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC(=O)NC	ZINC001146710294	781418694	/nfs/dbraw/zinc/41/86/94/781418694.db2.gz	JZBVYTOQWPMMKY-SNVBAGLBSA-N	1	3	301.391	-1.122	20	0		DAADHO
CC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC(=O)NC	ZINC001146710294	781418701	/nfs/dbraw/zinc/41/87/01/781418701.db2.gz	JZBVYTOQWPMMKY-SNVBAGLBSA-N	1	3	301.391	-1.122	20	0		DAADHO
CCN1CC[C@H](NCCNC(=O)COCC[NH+](C)C)C1=O	ZINC001147893435	781459127	/nfs/dbraw/zinc/45/91/27/781459127.db2.gz	QFKNLOVHFWFQMN-LBPRGKRZSA-N	1	3	300.403	-1.109	20	0		DAADHO
CN(CCNCCNC(=O)COCC[NH+](C)C)S(C)(=O)=O	ZINC001147848333	781459581	/nfs/dbraw/zinc/45/95/81/781459581.db2.gz	KXDNCLYTZJFYLW-UHFFFAOYSA-N	1	3	324.447	-1.838	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001147899981	781460424	/nfs/dbraw/zinc/46/04/24/781460424.db2.gz	FTMFXFRYTCRGAL-GHMZBOCLSA-N	1	3	313.402	-1.122	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001147899981	781460428	/nfs/dbraw/zinc/46/04/28/781460428.db2.gz	FTMFXFRYTCRGAL-GHMZBOCLSA-N	1	3	313.402	-1.122	20	0		DAADHO
O=C(CNCCNC(=O)C12CC[NH+](CC1)C2)NC(=O)NC1CC1	ZINC001147977390	781460780	/nfs/dbraw/zinc/46/07/80/781460780.db2.gz	QSZFYASRPGNJEN-UHFFFAOYSA-N	1	3	323.397	-1.224	20	0		DAADHO
CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC	ZINC001171762642	781587985	/nfs/dbraw/zinc/58/79/85/781587985.db2.gz	JBERYNWKLUBDAG-UHFFFAOYSA-N	1	3	301.391	-1.120	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN(C)C(C)C	ZINC001176972295	781627955	/nfs/dbraw/zinc/62/79/55/781627955.db2.gz	VLFQWRXPIUVMAF-UHFFFAOYSA-N	1	3	301.391	-1.122	20	0		DAADHO
C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001180124690	781665969	/nfs/dbraw/zinc/66/59/69/781665969.db2.gz	MTQUGQNJGWMNBW-AXFHLTTASA-N	1	3	311.386	-1.288	20	0		DAADHO
C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001180124690	781665974	/nfs/dbraw/zinc/66/59/74/781665974.db2.gz	MTQUGQNJGWMNBW-AXFHLTTASA-N	1	3	311.386	-1.288	20	0		DAADHO
CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001151044072	781689549	/nfs/dbraw/zinc/68/95/49/781689549.db2.gz	NEZYGOIHQZFOBO-WDEREUQCSA-N	1	3	313.402	-1.122	20	0		DAADHO
CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001151044072	781689552	/nfs/dbraw/zinc/68/95/52/781689552.db2.gz	NEZYGOIHQZFOBO-WDEREUQCSA-N	1	3	313.402	-1.122	20	0		DAADHO
CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1	ZINC001181652615	781690898	/nfs/dbraw/zinc/69/08/98/781690898.db2.gz	NNIDHNIPIXXSTJ-VXGBXAGGSA-N	1	3	318.443	-1.180	20	0		DAADHO
CNC(=O)CN[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001182660709	781710763	/nfs/dbraw/zinc/71/07/63/781710763.db2.gz	FHINUCFACBVXEL-GFCCVEGCSA-N	1	3	322.413	-1.005	20	0		DAADHO
NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1	ZINC001182623221	781710940	/nfs/dbraw/zinc/71/09/40/781710940.db2.gz	HGZSJCNTIVXZHK-VXGBXAGGSA-N	1	3	323.397	-1.286	20	0		DAADHO
C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)CC[N@@H+]1C	ZINC001182676585	781711355	/nfs/dbraw/zinc/71/13/55/781711355.db2.gz	NHDJLTHCMHOWPQ-GMTAPVOTSA-N	1	3	311.386	-1.288	20	0		DAADHO
C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)CC[N@H+]1C	ZINC001182676585	781711361	/nfs/dbraw/zinc/71/13/61/781711361.db2.gz	NHDJLTHCMHOWPQ-GMTAPVOTSA-N	1	3	311.386	-1.288	20	0		DAADHO
C[NH+](C)CCC(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1	ZINC001185416341	781760601	/nfs/dbraw/zinc/76/06/01/781760601.db2.gz	SGPHHMVRXMSZLZ-LLVKDONJSA-N	1	3	306.432	-1.322	20	0		DAADHO
CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1	ZINC001185408217	781760760	/nfs/dbraw/zinc/76/07/60/781760760.db2.gz	OLTRJYZTQMZLBS-LLVKDONJSA-N	1	3	313.402	-1.026	20	0		DAADHO
C[NH+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCOCC2)C1	ZINC001185408659	781761238	/nfs/dbraw/zinc/76/12/38/781761238.db2.gz	VGJBZBZEWPCVCD-CYBMUJFWSA-N	1	3	312.414	-1.013	20	0		DAADHO
C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1	ZINC001185651099	781762005	/nfs/dbraw/zinc/76/20/05/781762005.db2.gz	RTZOHWXWWWZRPZ-GHMZBOCLSA-N	1	3	311.386	-1.144	20	0		DAADHO
C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1	ZINC001185651099	781762008	/nfs/dbraw/zinc/76/20/08/781762008.db2.gz	RTZOHWXWWWZRPZ-GHMZBOCLSA-N	1	3	311.386	-1.144	20	0		DAADHO
CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1	ZINC001187121808	781795691	/nfs/dbraw/zinc/79/56/91/781795691.db2.gz	MBMVNKKJCHKPLM-NWDGAFQWSA-N	1	3	300.403	-1.110	20	0		DAADHO
C[C@@H](N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O	ZINC001187127024	781795846	/nfs/dbraw/zinc/79/58/46/781795846.db2.gz	RWQQWUSJADPUNC-GHMZBOCLSA-N	1	3	323.397	-1.144	20	0		DAADHO
CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1	ZINC001187121812	781796191	/nfs/dbraw/zinc/79/61/91/781796191.db2.gz	MBMVNKKJCHKPLM-VXGBXAGGSA-N	1	3	300.403	-1.110	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1	ZINC001187824964	781808253	/nfs/dbraw/zinc/80/82/53/781808253.db2.gz	DOKOSAWHRKLWMM-WDEREUQCSA-N	1	3	311.386	-1.416	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1	ZINC001187824964	781808261	/nfs/dbraw/zinc/80/82/61/781808261.db2.gz	DOKOSAWHRKLWMM-WDEREUQCSA-N	1	3	311.386	-1.416	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1	ZINC001376917750	921746885	/nfs/dbraw/zinc/74/68/85/921746885.db2.gz	DOKOSAWHRKLWMM-MNOVXSKESA-N	1	3	311.386	-1.416	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1	ZINC001376917750	921746899	/nfs/dbraw/zinc/74/68/99/921746899.db2.gz	DOKOSAWHRKLWMM-MNOVXSKESA-N	1	3	311.386	-1.416	20	0		DAADHO
CC[C@@H](C(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1)N(C)C	ZINC001377357575	921809671	/nfs/dbraw/zinc/80/96/71/921809671.db2.gz	WCBYZFPDFWXXIH-NSHDSACASA-N	1	3	300.403	-1.245	20	0		DAADHO
C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H]1CCC(=O)NC1=O	ZINC001317281769	916280802	/nfs/dbraw/zinc/28/08/02/916280802.db2.gz	FMGWTHHDIZYDJZ-WDEREUQCSA-N	1	3	308.382	-1.018	20	0		DAADHO
C[NH+](C)CCC(=O)NC[C@H](O)CN[C@H]1CCC(=O)NC1=O	ZINC001320271656	916490565	/nfs/dbraw/zinc/49/05/65/916490565.db2.gz	UATLTZLXSHFWGX-ZJUUUORDSA-N	1	3	300.359	-2.190	20	0		DAADHO
C[C@@H]1CC[N@H+](CC(=O)NC/C=C\CNCC(=O)NC(N)=O)C1	ZINC001321249146	916559058	/nfs/dbraw/zinc/55/90/58/916559058.db2.gz	IZCCMVPMTZSFAP-OTDNITJGSA-N	1	3	311.386	-1.215	20	0		DAADHO
C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\CNCC(=O)NC(N)=O)C1	ZINC001321249146	916559070	/nfs/dbraw/zinc/55/90/70/916559070.db2.gz	IZCCMVPMTZSFAP-OTDNITJGSA-N	1	3	311.386	-1.215	20	0		DAADHO
O=C(N[C@H]1CC[NH2+]C1)C(=O)NC1CCN([C@@H]2CCOC2)CC1	ZINC001327486010	917017155	/nfs/dbraw/zinc/01/71/55/917017155.db2.gz	KULOCVKERQZXTP-QWHCGFSZSA-N	1	3	310.398	-1.166	20	0		DAADHO
C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1	ZINC001328352846	917079306	/nfs/dbraw/zinc/07/93/06/917079306.db2.gz	GVWHCJQXJPJTPC-SECBINFHSA-N	1	3	324.385	-1.287	20	0		DAADHO
CN1CCN(C[C@@H](O)CNC[C@H](O)C[NH+]2CCCC2)CC1	ZINC001328400603	917085028	/nfs/dbraw/zinc/08/50/28/917085028.db2.gz	IXUXKZIJYMMRLM-GJZGRUSLSA-N	1	3	300.447	-1.359	20	0		DAADHO
C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCCN1CCN(C)CC1	ZINC001329163365	917147694	/nfs/dbraw/zinc/14/76/94/917147694.db2.gz	SAAUQKQIJGYQCU-ZDUSSCGKSA-N	1	3	313.446	-1.112	20	0		DAADHO
[NH3+][C@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1	ZINC001329856273	917206297	/nfs/dbraw/zinc/20/62/97/917206297.db2.gz	OCBIDLDKFUZHJR-WCQYABFASA-N	1	3	310.398	-1.085	20	0		DAADHO
O=C(N[C@@H]1CC[NH2+]C1)C(=O)NC1CCN([C@@H]2CCOC2)CC1	ZINC001330039901	917223350	/nfs/dbraw/zinc/22/33/50/917223350.db2.gz	KULOCVKERQZXTP-CHWSQXEVSA-N	1	3	310.398	-1.166	20	0		DAADHO
C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCCN1CCN(C)CC1	ZINC001330527309	917253137	/nfs/dbraw/zinc/25/31/37/917253137.db2.gz	YHCFMKRYIWBKAG-CYBMUJFWSA-N	1	3	313.446	-1.146	20	0		DAADHO
[NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1	ZINC001331168204	917282504	/nfs/dbraw/zinc/28/25/04/917282504.db2.gz	QIGJNHHILZPIJQ-XQHKEYJVSA-N	1	3	310.398	-1.181	20	0		DAADHO
COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1	ZINC001331668104	917312891	/nfs/dbraw/zinc/31/28/91/917312891.db2.gz	LWRBXZJIVFEULX-TXEJJXNPSA-N	1	3	300.403	-1.124	20	0		DAADHO
CCN(CC[NH3+])C(=O)C(=O)N(C)CCCN1CCN(C)CC1	ZINC001331853128	917345840	/nfs/dbraw/zinc/34/58/40/917345840.db2.gz	PROREQDKVUVFEY-UHFFFAOYSA-N	1	3	313.446	-1.111	20	0		DAADHO
CN(C[C@H](O)CNCCS(C)(=O)=O)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001332603162	917390106	/nfs/dbraw/zinc/39/01/06/917390106.db2.gz	VFUWMBHNOCWXCM-NWDGAFQWSA-N	1	3	321.443	-1.608	20	0		DAADHO
CN(C[C@H](O)CNCCS(C)(=O)=O)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001332603162	917390120	/nfs/dbraw/zinc/39/01/20/917390120.db2.gz	VFUWMBHNOCWXCM-NWDGAFQWSA-N	1	3	321.443	-1.608	20	0		DAADHO
C[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])CN1CCN(C)CC1	ZINC001333541885	917447235	/nfs/dbraw/zinc/44/72/35/917447235.db2.gz	DXCGFYJGQSMRCG-CYBMUJFWSA-N	1	3	313.446	-1.207	20	0		DAADHO
COC(=O)C1CCN(CCCNC(=O)CNCC[NH3+])CC1	ZINC001340335319	917734874	/nfs/dbraw/zinc/73/48/74/917734874.db2.gz	JPYZTZRNZIRLRR-UHFFFAOYSA-N	1	3	300.403	-1.074	20	0		DAADHO
C[C@H](CN1CCN(C)CC1)[NH2+]C[C@@H](O)CN1CCN(C)CC1	ZINC001348957467	917985079	/nfs/dbraw/zinc/98/50/79/917985079.db2.gz	GYKKRXVVQDHGCD-HZPDHXFCSA-N	1	3	313.490	-1.180	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)NC[C@@H](NCC(=O)NC(N)=O)C2CC2)C1	ZINC001366075205	919277104	/nfs/dbraw/zinc/27/71/04/919277104.db2.gz	FWLXLCVMFIBBSP-WDEREUQCSA-N	1	3	311.386	-1.383	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)NC[C@@H](NCC(=O)NC(N)=O)C2CC2)C1	ZINC001366075205	919277113	/nfs/dbraw/zinc/27/71/13/919277113.db2.gz	FWLXLCVMFIBBSP-WDEREUQCSA-N	1	3	311.386	-1.383	20	0		DAADHO
CNC(=O)CN[C@H](C)CNC(=O)COC1CC[NH+](C)CC1	ZINC001366344663	919313360	/nfs/dbraw/zinc/31/33/60/919313360.db2.gz	MCCAQKHWLKKPMS-LLVKDONJSA-N	1	3	300.403	-1.063	20	0		DAADHO
CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1)N(C)C	ZINC001366409231	919327428	/nfs/dbraw/zinc/32/74/28/919327428.db2.gz	XVKFDOWYUHRBSU-WDEREUQCSA-N	1	3	313.402	-1.040	20	0		DAADHO
CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC(=O)NC	ZINC001367140969	919438125	/nfs/dbraw/zinc/43/81/25/919438125.db2.gz	OAXMSAUCYTXNAQ-WDEREUQCSA-N	1	3	313.402	-1.122	20	0		DAADHO
CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(=O)NC	ZINC001367140969	919438136	/nfs/dbraw/zinc/43/81/36/919438136.db2.gz	OAXMSAUCYTXNAQ-WDEREUQCSA-N	1	3	313.402	-1.122	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C	ZINC001367371678	919460923	/nfs/dbraw/zinc/46/09/23/919460923.db2.gz	CXSVAGVYCIUSKM-GHMZBOCLSA-N	1	3	313.402	-1.027	20	0		DAADHO
CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O	ZINC001367392783	919461835	/nfs/dbraw/zinc/46/18/35/919461835.db2.gz	DMBPVHSGFLCWNI-JTQLQIEISA-N	1	3	301.391	-1.040	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O	ZINC001367392783	919461844	/nfs/dbraw/zinc/46/18/44/919461844.db2.gz	DMBPVHSGFLCWNI-JTQLQIEISA-N	1	3	301.391	-1.040	20	0		DAADHO
C[NH+](C)CCC(=O)NC[C@@H](O)CNCC(=O)NC(C)(C)C	ZINC001367599881	919512351	/nfs/dbraw/zinc/51/23/51/919512351.db2.gz	HOQRFULNUIYNHB-NSHDSACASA-N	1	3	302.419	-1.081	20	0		DAADHO
C[NH+](C)CCC(=O)NC[C@H](O)CNCC(=O)NC(C)(C)C	ZINC001367599873	919512785	/nfs/dbraw/zinc/51/27/85/919512785.db2.gz	HOQRFULNUIYNHB-LLVKDONJSA-N	1	3	302.419	-1.081	20	0		DAADHO
CCCNC(=O)CNC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001367614348	919527213	/nfs/dbraw/zinc/52/72/13/919527213.db2.gz	AEGJSUHVDRRYNG-LBPRGKRZSA-N	1	3	312.414	-1.325	20	0		DAADHO
CCCNC(=O)CNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001367614344	919529732	/nfs/dbraw/zinc/52/97/32/919529732.db2.gz	AEGJSUHVDRRYNG-GFCCVEGCSA-N	1	3	312.414	-1.325	20	0		DAADHO
C[C@H]1CCN(CC(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)C1	ZINC001367619523	919536332	/nfs/dbraw/zinc/53/63/32/919536332.db2.gz	OJFVHVMMCNVSSA-QWHCGFSZSA-N	1	3	312.414	-1.373	20	0		DAADHO
C[C@@H]1CCN(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)C1	ZINC001367619521	919536933	/nfs/dbraw/zinc/53/69/33/919536933.db2.gz	OJFVHVMMCNVSSA-OLZOCXBDSA-N	1	3	312.414	-1.373	20	0		DAADHO
CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1)N(C)C	ZINC001367626052	919538901	/nfs/dbraw/zinc/53/89/01/919538901.db2.gz	UALSGDIZRCUTNX-RYUDHWBXSA-N	1	3	300.403	-1.374	20	0		DAADHO
CC[N@H+](C)CCC(=O)NC[C@H](O)CN[C@@H]1CCN(C)C1=O	ZINC001367626948	919541070	/nfs/dbraw/zinc/54/10/70/919541070.db2.gz	XRBCFEHEACKUFF-VXGBXAGGSA-N	1	3	300.403	-1.374	20	0		DAADHO
CC[N@@H+](C)CCC(=O)NC[C@H](O)CN[C@@H]1CCN(C)C1=O	ZINC001367626948	919541083	/nfs/dbraw/zinc/54/10/83/919541083.db2.gz	XRBCFEHEACKUFF-VXGBXAGGSA-N	1	3	300.403	-1.374	20	0		DAADHO
C[C@H](NCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O	ZINC001368410914	919719224	/nfs/dbraw/zinc/71/92/24/919719224.db2.gz	ONKUTQIMKAXUKT-NWDGAFQWSA-N	1	3	300.403	-1.388	20	0		DAADHO
C[C@H](NCCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O	ZINC001368410914	919719230	/nfs/dbraw/zinc/71/92/30/919719230.db2.gz	ONKUTQIMKAXUKT-NWDGAFQWSA-N	1	3	300.403	-1.388	20	0		DAADHO
CNC(=O)[C@H](C)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2	ZINC001368415156	919720120	/nfs/dbraw/zinc/72/01/20/919720120.db2.gz	UEBGGBUJRFYJJY-LBPRGKRZSA-N	1	3	312.414	-1.373	20	0		DAADHO
C[C@H]([NH2+]CC1(O)CCN(C(=O)CN2CCCC2)CC1)C(N)=O	ZINC001368689480	919761637	/nfs/dbraw/zinc/76/16/37/919761637.db2.gz	RAOSBFYIPFDIMS-LBPRGKRZSA-N	1	3	312.414	-1.101	20	0		DAADHO
C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1	ZINC001369147652	919823637	/nfs/dbraw/zinc/82/36/37/919823637.db2.gz	BUFNOUQZZQNSKJ-VXGBXAGGSA-N	1	3	310.398	-1.227	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)CC[NH+](C)C	ZINC001369273494	919834561	/nfs/dbraw/zinc/83/45/61/919834561.db2.gz	DLVLATZYHJLZDR-SNVBAGLBSA-N	1	3	301.391	-1.170	20	0		DAADHO
CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C)N(C)C	ZINC001369476911	919952293	/nfs/dbraw/zinc/95/22/93/919952293.db2.gz	TYYVDIDWFGMXQL-NEPJUHHUSA-N	1	3	302.419	-1.176	20	0		DAADHO
CN(C[C@H](O)CNCC(N)=O)C(=O)C(C)(C)[NH+]1CCCC1	ZINC001369480263	919954835	/nfs/dbraw/zinc/95/48/35/919954835.db2.gz	WJLZGNZUOAKRGE-LLVKDONJSA-N	1	3	300.403	-1.245	20	0		DAADHO
CC[N@H+](C)CCC(=O)N(C)C[C@@H](O)CN[C@H]1CCNC1=O	ZINC001369481305	919957140	/nfs/dbraw/zinc/95/71/40/919957140.db2.gz	QBZGNUCFFKMVPO-RYUDHWBXSA-N	1	3	300.403	-1.374	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N(C)C[C@@H](O)CN[C@H]1CCNC1=O	ZINC001369481305	919957155	/nfs/dbraw/zinc/95/71/55/919957155.db2.gz	QBZGNUCFFKMVPO-RYUDHWBXSA-N	1	3	300.403	-1.374	20	0		DAADHO
C[NH+]1CCC(C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)CC1	ZINC001370392820	920054670	/nfs/dbraw/zinc/05/46/70/920054670.db2.gz	DYBIYRYDVWSDCY-NSHDSACASA-N	1	3	311.386	-1.286	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1	ZINC001370399029	920055078	/nfs/dbraw/zinc/05/50/78/920055078.db2.gz	YSRCQTCBJQAWLY-MNOVXSKESA-N	1	3	313.402	-1.027	20	0		DAADHO
C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)NC(N)=O	ZINC001371545046	920284130	/nfs/dbraw/zinc/28/41/30/920284130.db2.gz	VHRTXUAECGXEFG-MNOVXSKESA-N	1	3	311.386	-1.144	20	0		DAADHO
C[C@@H](NCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NC(N)=O	ZINC001372942577	920439902	/nfs/dbraw/zinc/43/99/02/920439902.db2.gz	FXIHHHZLXAZILA-GHMZBOCLSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@@H](NCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)NC(N)=O	ZINC001372942577	920439910	/nfs/dbraw/zinc/43/99/10/920439910.db2.gz	FXIHHHZLXAZILA-GHMZBOCLSA-N	1	3	313.402	-1.040	20	0		DAADHO
CC(C)[C@@H](C(=O)NC[C@H](O)CNCC(=O)NC(N)=O)[NH+](C)C	ZINC001374613827	920648825	/nfs/dbraw/zinc/64/88/25/920648825.db2.gz	DDQNUPREDJWTGY-KOLCDFICSA-N	1	3	317.390	-2.166	20	0		DAADHO
CNC(=O)CNC[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1	ZINC001374819180	920715014	/nfs/dbraw/zinc/71/50/14/920715014.db2.gz	KAYHIQKSFVFPED-LLVKDONJSA-N	1	3	310.402	-1.101	20	0		DAADHO
CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(N)=O	ZINC001375751130	920804965	/nfs/dbraw/zinc/80/49/65/920804965.db2.gz	RWCMFHLRAWAOGE-GHMZBOCLSA-N	1	3	311.386	-1.144	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@@H]1CCCN1C(=O)CC[NH+](C)C	ZINC001375765823	920805472	/nfs/dbraw/zinc/80/54/72/920805472.db2.gz	SDNHLBVWBHHNFA-NSHDSACASA-N	1	3	313.402	-1.026	20	0		DAADHO
C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1	ZINC001376339271	920921746	/nfs/dbraw/zinc/92/17/46/920921746.db2.gz	GKCBBELSCIDQRR-VHSXEESVSA-N	1	3	322.369	-1.026	20	0		DAADHO
C[C@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1	ZINC001376339267	920923027	/nfs/dbraw/zinc/92/30/27/920923027.db2.gz	GKCBBELSCIDQRR-UWVGGRQHSA-N	1	3	322.369	-1.026	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CC[NH+](C)C	ZINC001376809037	921034850	/nfs/dbraw/zinc/03/48/50/921034850.db2.gz	KRPTVRYWMQJDNV-VHSXEESVSA-N	1	3	301.391	-1.124	20	0		DAADHO
COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1	ZINC001376843525	921041427	/nfs/dbraw/zinc/04/14/27/921041427.db2.gz	NOCDNVDOINUQPG-QWHCGFSZSA-N	1	3	312.370	-1.224	20	0		DAADHO
COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1	ZINC001376843527	921042094	/nfs/dbraw/zinc/04/20/94/921042094.db2.gz	NOCDNVDOINUQPG-STQMWFEESA-N	1	3	312.370	-1.224	20	0		DAADHO
CC(C)N(C)CC(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(N)=O	ZINC001377603968	921845651	/nfs/dbraw/zinc/84/56/51/921845651.db2.gz	SVSMXWMKRUNNJU-SNVBAGLBSA-N	1	3	301.391	-1.042	20	0		DAADHO
CN(C)C1(C(=O)NC[C@@H](O)C[NH2+][C@@H]2CCN(C)C2=O)CCC1	ZINC001379208433	922076071	/nfs/dbraw/zinc/07/60/71/922076071.db2.gz	SPIVCEKUZCNCER-NWDGAFQWSA-N	1	3	312.414	-1.232	20	0		DAADHO
CN(C)C1(C(=O)NC[C@@H](O)C[NH2+][C@H]2CCN(C)C2=O)CCC1	ZINC001379208437	922076482	/nfs/dbraw/zinc/07/64/82/922076482.db2.gz	SPIVCEKUZCNCER-RYUDHWBXSA-N	1	3	312.414	-1.232	20	0		DAADHO
C[NH+](C)Cc1ccc(C(=O)NC[C@H](O)CNCC(N)=O)cc1	ZINC001379254997	922100402	/nfs/dbraw/zinc/10/04/02/922100402.db2.gz	BODFYFVGLVGIRN-CYBMUJFWSA-N	1	3	308.382	-1.086	20	0		DAADHO
CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1	ZINC001379295966	922118859	/nfs/dbraw/zinc/11/88/59/922118859.db2.gz	SMQWWLPUHYXINT-TZMCWYRMSA-N	1	3	314.430	-1.081	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)CN(C)C(C)C	ZINC001379299969	922120333	/nfs/dbraw/zinc/12/03/33/922120333.db2.gz	YRMXTYNPMYRGJE-JTQLQIEISA-N	1	3	317.390	-2.151	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001379452818	922180324	/nfs/dbraw/zinc/18/03/24/922180324.db2.gz	WDUWJYSAIIHPRZ-GHMZBOCLSA-N	1	3	313.402	-1.122	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001379452818	922180330	/nfs/dbraw/zinc/18/03/30/922180330.db2.gz	WDUWJYSAIIHPRZ-GHMZBOCLSA-N	1	3	313.402	-1.122	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001379452819	922180749	/nfs/dbraw/zinc/18/07/49/922180749.db2.gz	WDUWJYSAIIHPRZ-MNOVXSKESA-N	1	3	313.402	-1.122	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001379452819	922180759	/nfs/dbraw/zinc/18/07/59/922180759.db2.gz	WDUWJYSAIIHPRZ-MNOVXSKESA-N	1	3	313.402	-1.122	20	0		DAADHO
C[C@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CCn2cncn2)C1	ZINC001379473865	922193331	/nfs/dbraw/zinc/19/33/31/922193331.db2.gz	COYHCVCNWJUPRL-QWHCGFSZSA-N	1	3	310.402	-1.313	20	0		DAADHO
CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1	ZINC001379791074	922262738	/nfs/dbraw/zinc/26/27/38/922262738.db2.gz	QJICYVIEKUQFMD-NSHDSACASA-N	1	3	300.403	-1.374	20	0		DAADHO
CN(C[C@H](O)CNCC(N)=O)C(=O)C12CCC[NH+](CCC1)C2	ZINC001379803107	922266992	/nfs/dbraw/zinc/26/69/92/922266992.db2.gz	NMPAADCGYLGCKF-GFCCVEGCSA-N	1	3	312.414	-1.243	20	0		DAADHO
CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CN1CC[C@@H](C)C1	ZINC001379836477	922276089	/nfs/dbraw/zinc/27/60/89/922276089.db2.gz	SPKDTCDZCRAOBK-VXGBXAGGSA-N	1	3	300.403	-1.517	20	0		DAADHO
CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CN1CC[C@H](C)C1	ZINC001379836473	922277594	/nfs/dbraw/zinc/27/75/94/922277594.db2.gz	SPKDTCDZCRAOBK-NWDGAFQWSA-N	1	3	300.403	-1.517	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)N[C@H](CNCC(=O)NC(N)=O)C2CC2)C1	ZINC001379943426	922300021	/nfs/dbraw/zinc/30/00/21/922300021.db2.gz	YDUGYFJYHLLWGW-WDEREUQCSA-N	1	3	311.386	-1.383	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)N[C@H](CNCC(=O)NC(N)=O)C2CC2)C1	ZINC001379943426	922300040	/nfs/dbraw/zinc/30/00/40/922300040.db2.gz	YDUGYFJYHLLWGW-WDEREUQCSA-N	1	3	311.386	-1.383	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCN[C@H]2CCCNC2=O)C1	ZINC001380774432	922458950	/nfs/dbraw/zinc/45/89/50/922458950.db2.gz	PKQOCYARZOYMTH-OLZOCXBDSA-N	1	3	312.414	-1.373	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)N(CCO)CCN[C@H]2CCCNC2=O)C1	ZINC001380774432	922458965	/nfs/dbraw/zinc/45/89/65/922458965.db2.gz	PKQOCYARZOYMTH-OLZOCXBDSA-N	1	3	312.414	-1.373	20	0		DAADHO
CC(C)[C@@H](C(=O)N1CCO[C@H](CNCC(N)=O)C1)[NH+](C)C	ZINC001380913080	922474851	/nfs/dbraw/zinc/47/48/51/922474851.db2.gz	NYYVRHYBDPQSOF-YPMHNXCESA-N	1	3	300.403	-1.125	20	0		DAADHO
CNC(=O)CNC[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1	ZINC001380917035	922476595	/nfs/dbraw/zinc/47/65/95/922476595.db2.gz	XPMXNVCOOMVGAP-KBPBESRZSA-N	1	3	324.425	-1.109	20	0		DAADHO
CC(C)N(C)CC(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1	ZINC001381170384	922507982	/nfs/dbraw/zinc/50/79/82/922507982.db2.gz	SCOHPYUDNIVDBN-UHFFFAOYSA-N	1	3	300.403	-1.245	20	0		DAADHO
CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)N(C)C	ZINC001382124478	922585870	/nfs/dbraw/zinc/58/58/70/922585870.db2.gz	BEFGFPHBMZGRDC-ZJUUUORDSA-N	1	3	301.391	-1.042	20	0		DAADHO
CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)N(C)C	ZINC001382124474	922588105	/nfs/dbraw/zinc/58/81/05/922588105.db2.gz	BEFGFPHBMZGRDC-UWVGGRQHSA-N	1	3	301.391	-1.042	20	0		DAADHO
O=C(NC[C@@H](CO)NCCN1CCCC1=O)C12CC[NH+](CC1)C2	ZINC001382268664	922655718	/nfs/dbraw/zinc/65/57/18/922655718.db2.gz	YITXREUPQXPZKV-ZDUSSCGKSA-N	1	3	324.425	-1.229	20	0		DAADHO
CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)C1CC[NH+](C)CC1	ZINC001382414408	922733777	/nfs/dbraw/zinc/73/37/77/922733777.db2.gz	OMURVKCIIVAEFB-STQMWFEESA-N	1	3	312.414	-1.374	20	0		DAADHO
CC(C)NC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001382439920	922750707	/nfs/dbraw/zinc/75/07/07/922750707.db2.gz	HGJRFWUTNSYNJE-CHWSQXEVSA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)NC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001382439920	922750723	/nfs/dbraw/zinc/75/07/23/922750723.db2.gz	HGJRFWUTNSYNJE-CHWSQXEVSA-N	1	3	314.430	-1.128	20	0		DAADHO
C[C@H]1CCN(CC(=O)NC[C@H](CO)NC(=O)CC[NH+](C)C)C1	ZINC001382633237	922826133	/nfs/dbraw/zinc/82/61/33/922826133.db2.gz	UJTYYALZMSUBIF-QWHCGFSZSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCCN(C)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001383926281	922980632	/nfs/dbraw/zinc/98/06/32/922980632.db2.gz	KVTSIMYJUPCUCI-CHWSQXEVSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCCN(C)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001383926281	922980645	/nfs/dbraw/zinc/98/06/45/922980645.db2.gz	KVTSIMYJUPCUCI-CHWSQXEVSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCCN(C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001389095901	923548725	/nfs/dbraw/zinc/54/87/25/923548725.db2.gz	ILJQNSUBLGZGPZ-QWHCGFSZSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCCN(C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001389095901	923548734	/nfs/dbraw/zinc/54/87/34/923548734.db2.gz	ILJQNSUBLGZGPZ-QWHCGFSZSA-N	1	3	314.430	-1.127	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2	ZINC001390506095	923749874	/nfs/dbraw/zinc/74/98/74/923749874.db2.gz	ICLUKWPLHMIZNQ-JTQLQIEISA-N	1	3	311.386	-1.368	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001391217896	923820610	/nfs/dbraw/zinc/82/06/10/923820610.db2.gz	GKPUCTVUCWDAFW-MNOVXSKESA-N	1	3	313.402	-1.170	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001391217896	923820622	/nfs/dbraw/zinc/82/06/22/923820622.db2.gz	GKPUCTVUCWDAFW-MNOVXSKESA-N	1	3	313.402	-1.170	20	0		DAADHO
C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001392065209	923923893	/nfs/dbraw/zinc/92/38/93/923923893.db2.gz	OWWSRTHDTIJPMV-HBNTYKKESA-N	1	3	313.402	-1.042	20	0		DAADHO
C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001392065209	923923900	/nfs/dbraw/zinc/92/39/00/923923900.db2.gz	OWWSRTHDTIJPMV-HBNTYKKESA-N	1	3	313.402	-1.042	20	0		DAADHO
CCN(CC)CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001392099936	923934614	/nfs/dbraw/zinc/93/46/14/923934614.db2.gz	QYHQNFCFXYXZNX-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(CC)CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001392099936	923934634	/nfs/dbraw/zinc/93/46/34/923934634.db2.gz	QYHQNFCFXYXZNX-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)C[C@H]1CC[N@H+](C)C1	ZINC001392125874	923937675	/nfs/dbraw/zinc/93/76/75/923937675.db2.gz	QVAXITGIRGGANE-GHMZBOCLSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001392125874	923937680	/nfs/dbraw/zinc/93/76/80/923937680.db2.gz	QVAXITGIRGGANE-GHMZBOCLSA-N	1	3	313.402	-1.040	20	0		DAADHO
O=C(CNC[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N1CCC1	ZINC001392374418	923984817	/nfs/dbraw/zinc/98/48/17/923984817.db2.gz	KBAXTHJKPKXBLG-UONOGXRCSA-N	1	3	324.425	-1.373	20	0		DAADHO
CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1(N(C)C)CCC1	ZINC001392377680	923988424	/nfs/dbraw/zinc/98/84/24/923988424.db2.gz	UPVIAICFQOIUKS-LLVKDONJSA-N	1	3	300.403	-1.327	20	0		DAADHO
CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)C1	ZINC001392390235	924003557	/nfs/dbraw/zinc/00/35/57/924003557.db2.gz	HRPBCEHUMXUDDA-VXGBXAGGSA-N	1	3	300.403	-1.340	20	0		DAADHO
CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)C1	ZINC001392390235	924003570	/nfs/dbraw/zinc/00/35/70/924003570.db2.gz	HRPBCEHUMXUDDA-VXGBXAGGSA-N	1	3	300.403	-1.340	20	0		DAADHO
CC(C)(C(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O)N1CCCC1	ZINC001392392935	924005092	/nfs/dbraw/zinc/00/50/92/924005092.db2.gz	PWRMNLWUJAQCDW-NWDGAFQWSA-N	1	3	312.414	-1.184	20	0		DAADHO
CC(C)(C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O)[NH+]1CCCC1	ZINC001392392935	924005099	/nfs/dbraw/zinc/00/50/99/924005099.db2.gz	PWRMNLWUJAQCDW-NWDGAFQWSA-N	1	3	312.414	-1.184	20	0		DAADHO
CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)CN1CC[C@H](C)C1	ZINC001392403334	924014160	/nfs/dbraw/zinc/01/41/60/924014160.db2.gz	UXUWSAWCIXWQHD-QWHCGFSZSA-N	1	3	314.430	-1.127	20	0		DAADHO
CC(C)[NH+]1CCC(C(=O)NC[C@@H](O)CNCC(N)=O)CC1	ZINC001392409897	924016340	/nfs/dbraw/zinc/01/63/40/924016340.db2.gz	NCRBFZLTGXWZAS-LBPRGKRZSA-N	1	3	300.403	-1.341	20	0		DAADHO
C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNCC(=O)NC(N)=O)C1	ZINC001392420498	924022502	/nfs/dbraw/zinc/02/25/02/924022502.db2.gz	HIMAYLYJOKGLHO-ZJUUUORDSA-N	1	3	315.374	-2.410	20	0		DAADHO
C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNCC(=O)NC(N)=O)C1	ZINC001392420498	924022514	/nfs/dbraw/zinc/02/25/14/924022514.db2.gz	HIMAYLYJOKGLHO-ZJUUUORDSA-N	1	3	315.374	-2.410	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001392429980	924029753	/nfs/dbraw/zinc/02/97/53/924029753.db2.gz	SQOFDDYVAFBNAI-VHSXEESVSA-N	1	3	315.374	-2.540	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001392429980	924029758	/nfs/dbraw/zinc/02/97/58/924029758.db2.gz	SQOFDDYVAFBNAI-VHSXEESVSA-N	1	3	315.374	-2.540	20	0		DAADHO
CNC(=O)CNC[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1	ZINC001392560586	924048661	/nfs/dbraw/zinc/04/86/61/924048661.db2.gz	IWJWFGYZVSLKCK-NSHDSACASA-N	1	3	310.402	-1.101	20	0		DAADHO
O=C(CN1CCCC1)NC[C@]1(O)CC[N@@H+]([C@H]2CCCNC2=O)C1	ZINC001393272507	924145064	/nfs/dbraw/zinc/14/50/64/924145064.db2.gz	CZQIMJFFFOCLPO-XJKSGUPXSA-N	1	3	324.425	-1.086	20	0		DAADHO
O=C(CN1CCCC1)NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1	ZINC001393272507	924145072	/nfs/dbraw/zinc/14/50/72/924145072.db2.gz	CZQIMJFFFOCLPO-XJKSGUPXSA-N	1	3	324.425	-1.086	20	0		DAADHO
COC[C@@H](O)CN1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1	ZINC001393457111	924207975	/nfs/dbraw/zinc/20/79/75/924207975.db2.gz	VJQOLCROEYIUGJ-DZGCQCFKSA-N	1	3	317.430	-1.112	20	0		DAADHO
COC[C@@H](O)CN1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1	ZINC001393457139	924209571	/nfs/dbraw/zinc/20/95/71/924209571.db2.gz	VJQOLCROEYIUGJ-ZFWWWQNUSA-N	1	3	317.430	-1.112	20	0		DAADHO
CC[C@@H](NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)C(N)=O	ZINC001393478114	924215837	/nfs/dbraw/zinc/21/58/37/924215837.db2.gz	HPWQUEQCFYEZBT-NWDGAFQWSA-N	1	3	300.403	-1.388	20	0		DAADHO
CC[C@@H](NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O	ZINC001393478114	924215850	/nfs/dbraw/zinc/21/58/50/924215850.db2.gz	HPWQUEQCFYEZBT-NWDGAFQWSA-N	1	3	300.403	-1.388	20	0		DAADHO
C[NH+](C)CCC(=O)N1CCO[C@H](CNCC(=O)NC(N)=O)C1	ZINC001393585761	924231462	/nfs/dbraw/zinc/23/14/62/924231462.db2.gz	IIFOBGHUJTYARE-SNVBAGLBSA-N	1	3	315.374	-2.050	20	0		DAADHO
C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC(N)=O	ZINC001394472416	924303613	/nfs/dbraw/zinc/30/36/13/924303613.db2.gz	AWBAZYRUOBVFKM-GMTAPVOTSA-N	1	3	313.402	-1.042	20	0		DAADHO
C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC(N)=O	ZINC001394472416	924303623	/nfs/dbraw/zinc/30/36/23/924303623.db2.gz	AWBAZYRUOBVFKM-GMTAPVOTSA-N	1	3	313.402	-1.042	20	0		DAADHO
C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1)C(N)=O	ZINC001394745526	924373157	/nfs/dbraw/zinc/37/31/57/924373157.db2.gz	WWLIPIZKGJESHU-MNOVXSKESA-N	1	3	300.403	-1.247	20	0		DAADHO
CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C	ZINC001394755429	924379134	/nfs/dbraw/zinc/37/91/34/924379134.db2.gz	CTFAYAFWXSIXKU-YPMHNXCESA-N	1	3	302.419	-1.273	20	0		DAADHO
CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C	ZINC001394755424	924379295	/nfs/dbraw/zinc/37/92/95/924379295.db2.gz	CTFAYAFWXSIXKU-DGCLKSJQSA-N	1	3	302.419	-1.273	20	0		DAADHO
CNC(=O)CNC[C@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1	ZINC001394760195	924381000	/nfs/dbraw/zinc/38/10/00/924381000.db2.gz	TWGGCYQUEPSVMC-ZDUSSCGKSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCCN(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1	ZINC001396394471	924519297	/nfs/dbraw/zinc/51/92/97/924519297.db2.gz	SNBYWGNDMZLTEZ-CHWSQXEVSA-N	1	3	314.430	-1.032	20	0		DAADHO
CC(C)[C@@H](C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1)[NH+](C)C	ZINC001398508391	924645401	/nfs/dbraw/zinc/64/54/01/924645401.db2.gz	UOCMLNOHTOEFOR-JQWIXIFHSA-N	1	3	313.402	-1.042	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001398927259	924678718	/nfs/dbraw/zinc/67/87/18/924678718.db2.gz	TZFCQAQQKXIEOG-GMTAPVOTSA-N	1	3	313.402	-1.124	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001398927259	924678722	/nfs/dbraw/zinc/67/87/22/924678722.db2.gz	TZFCQAQQKXIEOG-GMTAPVOTSA-N	1	3	313.402	-1.124	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)CC[NH+](C)C	ZINC001401563546	924891825	/nfs/dbraw/zinc/89/18/25/924891825.db2.gz	UIMMFRLVWQGNDY-VIFPVBQESA-N	1	3	303.363	-2.540	20	0		DAADHO
C[C@H]1CCN(CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)C1	ZINC001401562102	924892720	/nfs/dbraw/zinc/89/27/20/924892720.db2.gz	UPSUBHHMXHENKK-VHSXEESVSA-N	1	3	315.374	-2.410	20	0		DAADHO
C[C@@H]1CCN(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O)C1	ZINC001401562105	924892875	/nfs/dbraw/zinc/89/28/75/924892875.db2.gz	UPSUBHHMXHENKK-ZJUUUORDSA-N	1	3	315.374	-2.410	20	0		DAADHO
CN1CC[C@H](NC[C@H](O)CNC(=O)C2(C[NH+](C)C)CC2)C1=O	ZINC001401575066	924898587	/nfs/dbraw/zinc/89/85/87/924898587.db2.gz	RLCCZINSQGDGKN-RYUDHWBXSA-N	1	3	312.414	-1.374	20	0		DAADHO
CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2	ZINC001401575203	924899558	/nfs/dbraw/zinc/89/95/58/924899558.db2.gz	WVGXKLCSISMBTE-NWDGAFQWSA-N	1	3	312.414	-1.184	20	0		DAADHO
CN1CC[C@@H](NC[C@H](O)CNC(=O)C2(C[NH+](C)C)CC2)C1=O	ZINC001401575063	924899894	/nfs/dbraw/zinc/89/98/94/924899894.db2.gz	RLCCZINSQGDGKN-NWDGAFQWSA-N	1	3	312.414	-1.374	20	0		DAADHO
C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNCC(=O)NC2CC2)C1	ZINC001401581494	924900635	/nfs/dbraw/zinc/90/06/35/924900635.db2.gz	KZPDWQYWHJTDBR-WCQYABFASA-N	1	3	312.414	-1.327	20	0		DAADHO
C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNCC(=O)NC2CC2)C1	ZINC001401581494	924900642	/nfs/dbraw/zinc/90/06/42/924900642.db2.gz	KZPDWQYWHJTDBR-WCQYABFASA-N	1	3	312.414	-1.327	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O	ZINC001401591129	924902528	/nfs/dbraw/zinc/90/25/28/924902528.db2.gz	UHVPOVQCCRCSTJ-VIFPVBQESA-N	1	3	303.363	-2.412	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O	ZINC001401591946	924902609	/nfs/dbraw/zinc/90/26/09/924902609.db2.gz	VXMVXSLCHYUBHU-VXGBXAGGSA-N	1	3	300.403	-1.328	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O	ZINC001401591093	924903269	/nfs/dbraw/zinc/90/32/69/924903269.db2.gz	UHVPOVQCCRCSTJ-SECBINFHSA-N	1	3	303.363	-2.412	20	0		DAADHO
CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NC)C1)N(C)C	ZINC001402603034	925015998	/nfs/dbraw/zinc/01/59/98/925015998.db2.gz	NFWUZZIQKKVGBT-RYUDHWBXSA-N	1	3	300.403	-1.110	20	0		DAADHO
C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCC(=O)NC(N)=O	ZINC001402769389	925027002	/nfs/dbraw/zinc/02/70/02/925027002.db2.gz	BZJNLWLTBRBWHY-MNOVXSKESA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)C12CC[NH+](CC1)C2	ZINC001403049882	925049154	/nfs/dbraw/zinc/04/91/54/925049154.db2.gz	YIXZSGUXLKCLSG-ZJUUUORDSA-N	1	3	311.386	-1.240	20	0		DAADHO
C[NH+](C)CCC(=O)N1C[C@H](NCC(=O)NC(N)=O)C(C)(C)C1	ZINC001403811191	925143485	/nfs/dbraw/zinc/14/34/85/925143485.db2.gz	CJASWMNSVBKPJR-JTQLQIEISA-N	1	3	313.402	-1.040	20	0		DAADHO
CN(C[C@@H](O)CNCC(N)=O)C(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001403854541	925155927	/nfs/dbraw/zinc/15/59/27/925155927.db2.gz	RPVJNQBYIVSRON-RYUDHWBXSA-N	1	3	300.403	-1.245	20	0		DAADHO
CN(C[C@@H](O)CNCC(N)=O)C(=O)CC[C@@H]1CCC[N@H+]1C	ZINC001403854541	925155931	/nfs/dbraw/zinc/15/59/31/925155931.db2.gz	RPVJNQBYIVSRON-RYUDHWBXSA-N	1	3	300.403	-1.245	20	0		DAADHO
CNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)CN(C)C(C)C	ZINC001403873021	925159702	/nfs/dbraw/zinc/15/97/02/925159702.db2.gz	FFMPZQDORUBMGG-RYUDHWBXSA-N	1	3	302.419	-1.130	20	0		DAADHO
CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)CN(C)C(C)C	ZINC001403873020	925160702	/nfs/dbraw/zinc/16/07/02/925160702.db2.gz	FFMPZQDORUBMGG-NWDGAFQWSA-N	1	3	302.419	-1.130	20	0		DAADHO
CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O	ZINC001403878591	925161889	/nfs/dbraw/zinc/16/18/89/925161889.db2.gz	KSNFJNHHOSNXIX-CHWSQXEVSA-N	1	3	314.430	-1.034	20	0		DAADHO
CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001403886557	925165339	/nfs/dbraw/zinc/16/53/39/925165339.db2.gz	UOWAQIXQAPLGFW-RYUDHWBXSA-N	1	3	310.398	-1.620	20	0		DAADHO
CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O)N(C)C	ZINC001406238545	925369892	/nfs/dbraw/zinc/36/98/92/925369892.db2.gz	HCZDKCYLBRZCOM-DTWKUNHWSA-N	1	3	303.363	-2.412	20	0		DAADHO
NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1	ZINC001406253168	925376893	/nfs/dbraw/zinc/37/68/93/925376893.db2.gz	WYIQAIKVWOCZOA-STQMWFEESA-N	1	3	312.414	-1.055	20	0		DAADHO
NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1	ZINC001406253168	925376902	/nfs/dbraw/zinc/37/69/02/925376902.db2.gz	WYIQAIKVWOCZOA-STQMWFEESA-N	1	3	312.414	-1.055	20	0		DAADHO
CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNCC(=O)NC	ZINC001406252555	925377866	/nfs/dbraw/zinc/37/78/66/925377866.db2.gz	XUCRRZPMUVPQFB-RYUDHWBXSA-N	1	3	300.403	-1.327	20	0		DAADHO
CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNCC(=O)NC	ZINC001406252555	925377877	/nfs/dbraw/zinc/37/78/77/925377877.db2.gz	XUCRRZPMUVPQFB-RYUDHWBXSA-N	1	3	300.403	-1.327	20	0		DAADHO
CC[C@@H](NC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1)C(N)=O	ZINC001406258714	925381312	/nfs/dbraw/zinc/38/13/12/925381312.db2.gz	NHWSZAZXEMBBFT-VXGBXAGGSA-N	1	3	300.403	-1.341	20	0		DAADHO
C[NH+](C)CCCC(=O)NC[C@H](O)CN[C@H]1CCCNC1=O	ZINC001406275735	925391172	/nfs/dbraw/zinc/39/11/72/925391172.db2.gz	VNMCMBUVIGHZTD-NEPJUHHUSA-N	1	3	300.403	-1.327	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNCC(=O)NC(N)=O)C1	ZINC001407115849	925452941	/nfs/dbraw/zinc/45/29/41/925452941.db2.gz	SSGRMABIFWWTLD-MNOVXSKESA-N	1	3	311.386	-1.286	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNCC(=O)NC(N)=O)C1	ZINC001407115849	925452947	/nfs/dbraw/zinc/45/29/47/925452947.db2.gz	SSGRMABIFWWTLD-MNOVXSKESA-N	1	3	311.386	-1.286	20	0		DAADHO
CN1CCCC[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1	ZINC001408034498	925541012	/nfs/dbraw/zinc/54/10/12/925541012.db2.gz	ITPSDDFARUXPIN-IUODEOHRSA-N	1	3	312.414	-1.101	20	0		DAADHO
CN1CCCC[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1	ZINC001408034497	925541484	/nfs/dbraw/zinc/54/14/84/925541484.db2.gz	ITPSDDFARUXPIN-DOMZBBRYSA-N	1	3	312.414	-1.101	20	0		DAADHO
C[C@H](CN(C)C(=O)CCC[NH+](C)C)NCC(=O)NC(N)=O	ZINC001410429553	925718511	/nfs/dbraw/zinc/71/85/11/925718511.db2.gz	DFVNHSPVJAVGGC-SNVBAGLBSA-N	1	3	301.391	-1.040	20	0		DAADHO
C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)CN(C)C1CCC1)C(N)=O	ZINC001411036810	925802499	/nfs/dbraw/zinc/80/24/99/925802499.db2.gz	BSRREHCTTIDDBF-PWSUYJOCSA-N	1	3	300.403	-1.247	20	0		DAADHO
CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)CN(C)C1CCC1	ZINC001411044804	925805836	/nfs/dbraw/zinc/80/58/36/925805836.db2.gz	PSOSSPLLFVPSQK-OLZOCXBDSA-N	1	3	312.414	-1.232	20	0		DAADHO
CN(C[C@@H](O)CNCC(=O)N1CCC1)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001411138516	925818689	/nfs/dbraw/zinc/81/86/89/925818689.db2.gz	LVEWAOCBNPMCPJ-STQMWFEESA-N	1	3	312.414	-1.421	20	0		DAADHO
CN(C[C@@H](O)CNCC(=O)N1CCC1)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001411138516	925818699	/nfs/dbraw/zinc/81/86/99/925818699.db2.gz	LVEWAOCBNPMCPJ-STQMWFEESA-N	1	3	312.414	-1.421	20	0		DAADHO
CCN(C)C(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001411148008	925821292	/nfs/dbraw/zinc/82/12/92/925821292.db2.gz	ULIMSZBQJLEIMS-OLZOCXBDSA-N	1	3	314.430	-1.175	20	0		DAADHO
CCN(C)C(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001411148008	925821301	/nfs/dbraw/zinc/82/13/01/925821301.db2.gz	ULIMSZBQJLEIMS-OLZOCXBDSA-N	1	3	314.430	-1.175	20	0		DAADHO
CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1	ZINC001413341243	926038981	/nfs/dbraw/zinc/03/89/81/926038981.db2.gz	QCNYFNWFNYFQHD-YPMHNXCESA-N	1	3	323.397	-1.161	20	0		DAADHO
CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1	ZINC001413341243	926038990	/nfs/dbraw/zinc/03/89/90/926038990.db2.gz	QCNYFNWFNYFQHD-YPMHNXCESA-N	1	3	323.397	-1.161	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1	ZINC001418330148	926384100	/nfs/dbraw/zinc/38/41/00/926384100.db2.gz	ISYSTOZHXCAYHM-WDEREUQCSA-N	1	3	311.386	-1.273	20	0		DAADHO
CCCNC(=O)CNC[C@H](O)CNC(=O)C1CC[NH+](C)CC1	ZINC001420140266	926540812	/nfs/dbraw/zinc/54/08/12/926540812.db2.gz	DQCLTTNRCHAEEN-ZDUSSCGKSA-N	1	3	314.430	-1.079	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)NC[C@H](O)CNC(=O)CC[NH+](C)C	ZINC001420153303	926543855	/nfs/dbraw/zinc/54/38/55/926543855.db2.gz	ZYMDJNHKUSJWEJ-UWVGGRQHSA-N	1	3	317.390	-2.151	20	0		DAADHO
C[C@@H]([NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCC1)C(N)=O	ZINC001420154575	926545237	/nfs/dbraw/zinc/54/52/37/926545237.db2.gz	FKBQAKGBWYTTHR-MNOVXSKESA-N	1	3	300.403	-1.199	20	0		DAADHO
C[C@@H](NC[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O	ZINC001420154575	926545247	/nfs/dbraw/zinc/54/52/47/926545247.db2.gz	FKBQAKGBWYTTHR-MNOVXSKESA-N	1	3	300.403	-1.199	20	0		DAADHO
CC(C)NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001420192858	926558410	/nfs/dbraw/zinc/55/84/10/926558410.db2.gz	RSRWDHBMAIMYEO-RYUDHWBXSA-N	1	3	300.403	-1.471	20	0		DAADHO
CC(C)NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001420192858	926558417	/nfs/dbraw/zinc/55/84/17/926558417.db2.gz	RSRWDHBMAIMYEO-RYUDHWBXSA-N	1	3	300.403	-1.471	20	0		DAADHO
O=C(NC[C@@H](O)CN[C@H]1CCCNC1=O)C12CC[NH+](CC1)C2	ZINC001420197420	926561785	/nfs/dbraw/zinc/56/17/85/926561785.db2.gz	OJHLLUXACSTTNE-RYUDHWBXSA-N	1	3	310.398	-1.573	20	0		DAADHO
CC(C)[C@H](C(=O)N[C@H](C)CNCC(=O)NC(N)=O)[NH+](C)C	ZINC001420343175	926582566	/nfs/dbraw/zinc/58/25/66/926582566.db2.gz	WRSMAOBLBMTGDP-MWLCHTKSSA-N	1	3	301.391	-1.138	20	0		DAADHO
CC[C@H](C(=O)NC[C@@]1(O)CC[N@H+](C[C@@H](O)COC)C1)N(C)C	ZINC001421366709	926676077	/nfs/dbraw/zinc/67/60/77/926676077.db2.gz	WYOLADNTPZJCPR-NFAWXSAZSA-N	1	3	317.430	-1.113	20	0		DAADHO
CC[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](O)COC)C1)N(C)C	ZINC001421366709	926676089	/nfs/dbraw/zinc/67/60/89/926676089.db2.gz	WYOLADNTPZJCPR-NFAWXSAZSA-N	1	3	317.430	-1.113	20	0		DAADHO
CC[C@@H](C(=O)N(CCO)CC[NH2+][C@@H]1CCN(C)C1=O)N(C)C	ZINC001421634928	926737423	/nfs/dbraw/zinc/73/74/23/926737423.db2.gz	MDADSBWALIACLW-OLZOCXBDSA-N	1	3	314.430	-1.032	20	0		DAADHO
O=C([C@H]1C[NH+]2CCC1CC2)N(CCO)CCN[C@H]1CCNC1=O	ZINC001421639057	926739673	/nfs/dbraw/zinc/73/96/73/926739673.db2.gz	VNRGLNDCTMSHGV-KBPBESRZSA-N	1	3	324.425	-1.373	20	0		DAADHO
O=C([C@@H]1C[NH+]2CCC1CC2)N(CCO)CCN[C@@H]1CCNC1=O	ZINC001421639069	926740701	/nfs/dbraw/zinc/74/07/01/926740701.db2.gz	VNRGLNDCTMSHGV-ZIAGYGMSSA-N	1	3	324.425	-1.373	20	0		DAADHO
CNC(=O)CNC[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1	ZINC001421801819	926757230	/nfs/dbraw/zinc/75/72/30/926757230.db2.gz	LDMCRCWMDLAFQX-LBPRGKRZSA-N	1	3	300.403	-1.109	20	0		DAADHO
C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)C1(C[NH+](C)C)CC1	ZINC001421951605	926775619	/nfs/dbraw/zinc/77/56/19/926775619.db2.gz	WJZIFKKJEUAHLF-JTQLQIEISA-N	1	3	313.402	-1.040	20	0		DAADHO
CCN1CC[C@H](NC[C@@H](O)CNC(=O)CC[NH+](C)C)C1=O	ZINC001422345125	926841403	/nfs/dbraw/zinc/84/14/03/926841403.db2.gz	JIPMLBGWBJJIGJ-NEPJUHHUSA-N	1	3	300.403	-1.374	20	0		DAADHO
CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)CN1CC[C@@H](C)C1	ZINC001422366414	926853549	/nfs/dbraw/zinc/85/35/49/926853549.db2.gz	ZQLKDLWZXTUZTE-NEPJUHHUSA-N	1	3	300.403	-1.469	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCCC2)C1	ZINC001422408845	926866013	/nfs/dbraw/zinc/86/60/13/926866013.db2.gz	WDGAGIZKBFCVIY-OLZOCXBDSA-N	1	3	312.414	-1.373	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCCC2)C1	ZINC001422408845	926866021	/nfs/dbraw/zinc/86/60/21/926866021.db2.gz	WDGAGIZKBFCVIY-OLZOCXBDSA-N	1	3	312.414	-1.373	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1	ZINC001423358042	927033385	/nfs/dbraw/zinc/03/33/85/927033385.db2.gz	QUAJPVGVXIXBEB-WDEREUQCSA-N	1	3	313.402	-1.027	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1	ZINC001423358033	927033514	/nfs/dbraw/zinc/03/35/14/927033514.db2.gz	QUAJPVGVXIXBEB-MNOVXSKESA-N	1	3	313.402	-1.027	20	0		DAADHO
CNC(=O)CNC[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001423467454	927065759	/nfs/dbraw/zinc/06/57/59/927065759.db2.gz	IKXYBIAVSVDTJZ-GFCCVEGCSA-N	1	3	300.403	-1.517	20	0		DAADHO
CN(C)C1(C(=O)N(C)C[C@H](O)C[NH2+][C@@H]2CCNC2=O)CCC1	ZINC001423471434	927065962	/nfs/dbraw/zinc/06/59/62/927065962.db2.gz	VDBOXFXPIWQEGE-VXGBXAGGSA-N	1	3	312.414	-1.232	20	0		DAADHO
CN(C)C1(C(=O)N(C)C[C@@H](O)C[NH2+][C@@H]2CCNC2=O)CCC1	ZINC001423471428	927066849	/nfs/dbraw/zinc/06/68/49/927066849.db2.gz	VDBOXFXPIWQEGE-NWDGAFQWSA-N	1	3	312.414	-1.232	20	0		DAADHO
CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001423487769	927075037	/nfs/dbraw/zinc/07/50/37/927075037.db2.gz	UZNDJFHIVJWUSR-RYUDHWBXSA-N	1	3	300.403	-1.565	20	0		DAADHO
CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001423487769	927075050	/nfs/dbraw/zinc/07/50/50/927075050.db2.gz	UZNDJFHIVJWUSR-RYUDHWBXSA-N	1	3	300.403	-1.565	20	0		DAADHO
CN(C[C@H](O)CNCC(N)=O)C(=O)CC[NH+]1CCCCC1	ZINC001423494987	927076911	/nfs/dbraw/zinc/07/69/11/927076911.db2.gz	LFESSHBDUJNWEG-GFCCVEGCSA-N	1	3	300.403	-1.243	20	0		DAADHO
CN1CC[C@H](NCCN(CCO)C(=O)[C@H]2CC[N@H+](C)C2)C1=O	ZINC001424049051	927188871	/nfs/dbraw/zinc/18/88/71/927188871.db2.gz	JNDQYBARKHXFLC-STQMWFEESA-N	1	3	312.414	-1.421	20	0		DAADHO
CN1CC[C@H](NCCN(CCO)C(=O)[C@H]2CC[N@@H+](C)C2)C1=O	ZINC001424049051	927188878	/nfs/dbraw/zinc/18/88/78/927188878.db2.gz	JNDQYBARKHXFLC-STQMWFEESA-N	1	3	312.414	-1.421	20	0		DAADHO
CCNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1	ZINC001424244832	927213045	/nfs/dbraw/zinc/21/30/45/927213045.db2.gz	VELAQTGKWMTCNS-STQMWFEESA-N	1	3	312.414	-1.109	20	0		DAADHO
CCNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1	ZINC001424244832	927213051	/nfs/dbraw/zinc/21/30/51/927213051.db2.gz	VELAQTGKWMTCNS-STQMWFEESA-N	1	3	312.414	-1.109	20	0		DAADHO
CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1	ZINC001424244814	927213389	/nfs/dbraw/zinc/21/33/89/927213389.db2.gz	VELAQTGKWMTCNS-CHWSQXEVSA-N	1	3	312.414	-1.109	20	0		DAADHO
CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1	ZINC001424244814	927213396	/nfs/dbraw/zinc/21/33/96/927213396.db2.gz	VELAQTGKWMTCNS-CHWSQXEVSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[C@@H]([NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCN2C)CC1)C(N)=O	ZINC001424541373	927243178	/nfs/dbraw/zinc/24/31/78/927243178.db2.gz	ATLSLJVHJBKILI-NEPJUHHUSA-N	1	3	312.414	-1.103	20	0		DAADHO
C[C@H](CN1CCOCC1)C(=O)NC[C@H](CO)[NH2+]CC(N)=O	ZINC001425854415	927479372	/nfs/dbraw/zinc/47/93/72/927479372.db2.gz	NTNASFFOMZDIBE-GHMZBOCLSA-N	1	3	302.375	-2.493	20	0		DAADHO
C[C@@H](CN1CCOCC1)C(=O)NC[C@@H](CO)[NH2+]CC(N)=O	ZINC001425854420	927479464	/nfs/dbraw/zinc/47/94/64/927479464.db2.gz	NTNASFFOMZDIBE-QWRGUYRKSA-N	1	3	302.375	-2.493	20	0		DAADHO
CN(C[C@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)CCC[NH+](C)C	ZINC001426020768	927505274	/nfs/dbraw/zinc/50/52/74/927505274.db2.gz	DEJNUYUCZASOEK-CHWSQXEVSA-N	1	3	314.430	-1.032	20	0		DAADHO
CCN1CC[C@@H](NC[C@H](O)CN(C)C(=O)CC[NH+](C)C)C1=O	ZINC001426025450	927508034	/nfs/dbraw/zinc/50/80/34/927508034.db2.gz	JKZYHFNLXUFCGT-QWHCGFSZSA-N	1	3	314.430	-1.032	20	0		DAADHO
CN(C[C@H](O)CNCC(N)=O)C(=O)COC1CC[NH+](C)CC1	ZINC001426029472	927512402	/nfs/dbraw/zinc/51/24/02/927512402.db2.gz	FXQXNZIQJWYFIJ-LLVKDONJSA-N	1	3	316.402	-2.009	20	0		DAADHO
NC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1	ZINC001437315831	928445546	/nfs/dbraw/zinc/44/55/46/928445546.db2.gz	XQIOXWNAHDHUMQ-VIFPVBQESA-N	1	3	308.342	-1.415	20	0		DAADHO
C[C@H](NCCN(C)C(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O	ZINC001437835899	928481934	/nfs/dbraw/zinc/48/19/34/928481934.db2.gz	QPWUPCVLEQCEML-NSHDSACASA-N	1	3	310.402	-1.020	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1	ZINC001438717702	928535113	/nfs/dbraw/zinc/53/51/13/928535113.db2.gz	DDZNWBWRCYJESR-NSHDSACASA-N	1	3	313.402	-1.026	20	0		DAADHO
O=C(CNC[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2)NC1CC1	ZINC001439002157	928570212	/nfs/dbraw/zinc/57/02/12/928570212.db2.gz	OCBZHCZYYHICBK-CYBMUJFWSA-N	1	3	324.425	-1.040	20	0		DAADHO
CC[C@H]([NH2+]C[C@H](O)CNC(=O)C1(N(C)C)CCC1)C(N)=O	ZINC001439008600	928571258	/nfs/dbraw/zinc/57/12/58/928571258.db2.gz	YSELWVQFKYJNIK-QWRGUYRKSA-N	1	3	300.403	-1.199	20	0		DAADHO
CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C1(N(C)C)CCC1)C(N)=O	ZINC001439008601	928572101	/nfs/dbraw/zinc/57/21/01/928572101.db2.gz	YSELWVQFKYJNIK-WDEREUQCSA-N	1	3	300.403	-1.199	20	0		DAADHO
CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C1(N(C)C)CCC1)C(N)=O	ZINC001439008599	928573095	/nfs/dbraw/zinc/57/30/95/928573095.db2.gz	YSELWVQFKYJNIK-MNOVXSKESA-N	1	3	300.403	-1.199	20	0		DAADHO
CCN1CC[C@H](NC[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001439043023	928587541	/nfs/dbraw/zinc/58/75/41/928587541.db2.gz	CNUCGCOGSJZKKI-OLZOCXBDSA-N	1	3	324.425	-1.230	20	0		DAADHO
CCN(CC)C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001439040768	928588078	/nfs/dbraw/zinc/58/80/78/928588078.db2.gz	FEBYUKOEBWCEHJ-CHWSQXEVSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(CC)C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001439040768	928588089	/nfs/dbraw/zinc/58/80/89/928588089.db2.gz	FEBYUKOEBWCEHJ-CHWSQXEVSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN1CC[C@@H](NC[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001439043024	928588286	/nfs/dbraw/zinc/58/82/86/928588286.db2.gz	CNUCGCOGSJZKKI-QWHCGFSZSA-N	1	3	324.425	-1.230	20	0		DAADHO
CN1CC[C@@H](NC[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001439046996	928592387	/nfs/dbraw/zinc/59/23/87/928592387.db2.gz	LJLRRIVBGNAMRY-VXGBXAGGSA-N	1	3	310.398	-1.620	20	0		DAADHO
C[C@@H](CNCC(=O)N1CCOCC1)NC(=O)CC[NH+](C)C	ZINC001439246252	928610379	/nfs/dbraw/zinc/61/03/79/928610379.db2.gz	RAYCHBYHAKVCAE-LBPRGKRZSA-N	1	3	300.403	-1.109	20	0		DAADHO
C[C@@H](CN1CCOCC1)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21	ZINC001441319638	928782738	/nfs/dbraw/zinc/78/27/38/928782738.db2.gz	KVPOCEZNYLKGDJ-XDQVBPFNSA-N	1	3	324.425	-1.266	20	0		DAADHO
C[C@@H](CN1CCOCC1)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21	ZINC001441319638	928782745	/nfs/dbraw/zinc/78/27/45/928782745.db2.gz	KVPOCEZNYLKGDJ-XDQVBPFNSA-N	1	3	324.425	-1.266	20	0		DAADHO
NC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1	ZINC001441609267	928799988	/nfs/dbraw/zinc/79/99/88/928799988.db2.gz	UPYZXOZMYHUBBF-JTQLQIEISA-N	1	3	322.369	-1.025	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)NCC(=O)NC(N)=O	ZINC001441626803	928804502	/nfs/dbraw/zinc/80/45/02/928804502.db2.gz	OUYZYCULMGAMQD-SNVBAGLBSA-N	1	3	301.391	-1.040	20	0		DAADHO
CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)NCC(=O)NC(N)=O	ZINC001441626803	928804495	/nfs/dbraw/zinc/80/44/95/928804495.db2.gz	OUYZYCULMGAMQD-SNVBAGLBSA-N	1	3	301.391	-1.040	20	0		DAADHO
CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCCN1C	ZINC001441717713	928836670	/nfs/dbraw/zinc/83/66/70/928836670.db2.gz	RDHPOAQSMJTKCH-RYUDHWBXSA-N	1	3	300.403	-1.374	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NCCN2CCCC2=O)C1	ZINC001441795144	928865514	/nfs/dbraw/zinc/86/55/14/928865514.db2.gz	OBOGEWYVDFBLDN-QWHCGFSZSA-N	1	3	312.414	-1.373	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NCCN2CCCC2=O)C1	ZINC001441795144	928865529	/nfs/dbraw/zinc/86/55/29/928865529.db2.gz	OBOGEWYVDFBLDN-QWHCGFSZSA-N	1	3	312.414	-1.373	20	0		DAADHO
CN(C[C@@H](O)CN[C@@H]1CCCN(C)C1=O)C(=O)CC[NH+](C)C	ZINC001442003333	928905299	/nfs/dbraw/zinc/90/52/99/928905299.db2.gz	WOGHJJGSLMHFHH-QWHCGFSZSA-N	1	3	314.430	-1.032	20	0		DAADHO
CN(C[C@H](O)CN[C@@H]1CCCN(C)C1=O)C(=O)CC[NH+](C)C	ZINC001442003328	928905474	/nfs/dbraw/zinc/90/54/74/928905474.db2.gz	WOGHJJGSLMHFHH-CHWSQXEVSA-N	1	3	314.430	-1.032	20	0		DAADHO
CN(C[C@@H](O)CNCC(=O)NC1CC1)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001442025908	928907296	/nfs/dbraw/zinc/90/72/96/928907296.db2.gz	AZCTYZOVAULXQW-YPMHNXCESA-N	1	3	312.414	-1.374	20	0		DAADHO
CN(C[C@@H](O)CNCC(=O)NC1CC1)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001442025908	928907302	/nfs/dbraw/zinc/90/73/02/928907302.db2.gz	AZCTYZOVAULXQW-YPMHNXCESA-N	1	3	312.414	-1.374	20	0		DAADHO
CCCN(C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O	ZINC001442026540	928910923	/nfs/dbraw/zinc/91/09/23/928910923.db2.gz	UYBPDQYODFTNQF-QWHCGFSZSA-N	1	3	314.430	-1.032	20	0		DAADHO
CN(C[C@@H](O)CNCC(=O)NC(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001442026903	928911827	/nfs/dbraw/zinc/91/18/27/928911827.db2.gz	DJXGRGJHMVGCMS-ZJUUUORDSA-N	1	3	315.374	-2.458	20	0		DAADHO
CN(C[C@@H](O)CNCC(=O)NC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001442026903	928911837	/nfs/dbraw/zinc/91/18/37/928911837.db2.gz	DJXGRGJHMVGCMS-ZJUUUORDSA-N	1	3	315.374	-2.458	20	0		DAADHO
CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1	ZINC001442120095	928931187	/nfs/dbraw/zinc/93/11/87/928931187.db2.gz	GUNPGETZXPVORO-MNOVXSKESA-N	1	3	311.386	-1.286	20	0		DAADHO
CC(C)NC(=O)CNC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1	ZINC001445223225	929191695	/nfs/dbraw/zinc/19/16/95/929191695.db2.gz	HQUCKSKBMKLOMQ-CYBMUJFWSA-N	1	3	314.430	-1.081	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCC(=O)NC(C)(C)C)C1	ZINC001445264876	929204398	/nfs/dbraw/zinc/20/43/98/929204398.db2.gz	GHQVEZGHDLIYMK-NEPJUHHUSA-N	1	3	314.430	-1.081	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCC(=O)NC(C)(C)C)C1	ZINC001445264876	929204404	/nfs/dbraw/zinc/20/44/04/929204404.db2.gz	GHQVEZGHDLIYMK-NEPJUHHUSA-N	1	3	314.430	-1.081	20	0		DAADHO
C[NH+](C)CCC(=O)N(CCO)CCN[C@H]1CCCNC1=O	ZINC001447060371	929367822	/nfs/dbraw/zinc/36/78/22/929367822.db2.gz	HDYMQRYFVYKWIP-LBPRGKRZSA-N	1	3	300.403	-1.373	20	0		DAADHO
CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)CN1CC[C@@H](C)C1	ZINC001447056643	929368304	/nfs/dbraw/zinc/36/83/04/929368304.db2.gz	BXLGRICHUMTOEG-CHWSQXEVSA-N	1	3	314.430	-1.127	20	0		DAADHO
CN1CC[C@@H](NC[C@@H]2CN(C(=O)CC[NH+](C)C)CCO2)C1=O	ZINC001447284340	929380917	/nfs/dbraw/zinc/38/09/17/929380917.db2.gz	BUHUYQMXFMTYQW-CHWSQXEVSA-N	1	3	312.414	-1.014	20	0		DAADHO
CNC(=O)CN[C@@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001448461740	929455136	/nfs/dbraw/zinc/45/51/36/929455136.db2.gz	ROOLADHEMIVYFM-NWDGAFQWSA-N	1	3	300.403	-1.110	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001448792718	929471887	/nfs/dbraw/zinc/47/18/87/929471887.db2.gz	VRNWIIOBBPAIOM-MNOVXSKESA-N	1	3	313.402	-1.170	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001448792718	929471892	/nfs/dbraw/zinc/47/18/92/929471892.db2.gz	VRNWIIOBBPAIOM-MNOVXSKESA-N	1	3	313.402	-1.170	20	0		DAADHO
CN(C)CCN1C[C@H](C(=O)N2NC(=O)C[C@@]23CC[NH2+]C3)CC1=O	ZINC001548578756	930031002	/nfs/dbraw/zinc/03/10/02/930031002.db2.gz	MDALBMITDYEIOC-IAQYHMDHSA-N	1	3	323.397	-1.608	20	0		DAADHO
CCCCN(C)CCNC(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000419283609	545765983	/nfs/dbraw/zinc/76/59/83/545765983.db2.gz	JSLFPWPCRCASFI-UHFFFAOYSA-N	1	3	313.446	-1.144	20	0		DAADHO
CN(C)CCOCCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1	ZINC000642809421	372833905	/nfs/dbraw/zinc/83/39/05/372833905.db2.gz	QHQBQEBUSOLTBF-LBPRGKRZSA-N	1	3	300.403	-1.061	20	0		DAADHO
CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)[C@@H](CN)C1	ZINC000583434836	372866516	/nfs/dbraw/zinc/86/65/16/372866516.db2.gz	FSPMACRUXZSQOI-XJKSGUPXSA-N	1	3	323.441	-1.358	20	0		DAADHO
CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)[C@@H](CN)C1	ZINC000583434836	372866528	/nfs/dbraw/zinc/86/65/28/372866528.db2.gz	FSPMACRUXZSQOI-XJKSGUPXSA-N	1	3	323.441	-1.358	20	0		DAADHO
N[C@H]1C[C@H]2CN(C(=O)CN3CCCC[C@@H]([NH3+])C3=O)CCN2C1=O	ZINC000594878119	372993146	/nfs/dbraw/zinc/99/31/46/372993146.db2.gz	NCSQZFQBUVHXEP-TUAOUCFPSA-N	1	3	323.397	-1.903	20	0		DAADHO
C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1	ZINC000595993584	373010920	/nfs/dbraw/zinc/01/09/20/373010920.db2.gz	SCVJXMIGDNABPG-UTUOFQBUSA-N	1	3	323.397	-2.081	20	0		DAADHO
COC[C@]1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCCC[NH2+]1	ZINC000602528636	373064353	/nfs/dbraw/zinc/06/43/53/373064353.db2.gz	SEVFLMYRLAJAFU-HUBLWGQQSA-N	1	3	310.398	-1.085	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)NCCNS(C)(=O)=O	ZINC000607230006	373160089	/nfs/dbraw/zinc/16/00/89/373160089.db2.gz	LIIWDNNCFMVKBS-UHFFFAOYSA-N	1	3	323.463	-1.330	20	0		DAADHO
CN(CCC[NH3+])C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1	ZINC000565432618	373125955	/nfs/dbraw/zinc/12/59/55/373125955.db2.gz	VXQVRUVQFYJHKV-UHFFFAOYSA-N	1	3	313.446	-1.064	20	0		DAADHO
COCCN1CC[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1	ZINC000263254982	373145251	/nfs/dbraw/zinc/14/52/51/373145251.db2.gz	QKBUVBMFDGUJEJ-YPMHNXCESA-N	1	3	300.403	-1.077	20	0		DAADHO
CC(C)Nc1nc(NCCO)nc(NC2CC[NH+](C)CC2)n1	ZINC000341341119	373240390	/nfs/dbraw/zinc/24/03/90/373240390.db2.gz	FJQRMAKVBSWHLP-UHFFFAOYSA-N	1	3	309.418	-1.132	20	0		DAADHO
COCCCN(C)CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1	ZINC000419448975	373321228	/nfs/dbraw/zinc/32/12/28/373321228.db2.gz	JOOPQKMDWDESGL-GFCCVEGCSA-N	1	3	300.403	-1.061	20	0		DAADHO
CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCNCC1	ZINC000423620961	373349766	/nfs/dbraw/zinc/34/97/66/373349766.db2.gz	KNQRDBQUTFACJS-UHFFFAOYSA-N	1	3	313.446	-1.240	20	0		DAADHO
CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCNCC1	ZINC000423620961	373349771	/nfs/dbraw/zinc/34/97/71/373349771.db2.gz	KNQRDBQUTFACJS-UHFFFAOYSA-N	1	3	313.446	-1.240	20	0		DAADHO
CN(CCCN(C)C(=O)C(=O)N1CCNCC1)CC[NH+](C)C	ZINC000423620961	373349778	/nfs/dbraw/zinc/34/97/78/373349778.db2.gz	KNQRDBQUTFACJS-UHFFFAOYSA-N	1	3	313.446	-1.240	20	0		DAADHO
CN(CCN1CCCC1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+]	ZINC000566091943	373524033	/nfs/dbraw/zinc/52/40/33/373524033.db2.gz	VLFDFFRUOGOVJO-ZDUSSCGKSA-N	1	3	311.430	-1.358	20	0		DAADHO
CC[NH+]1CCC(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1	ZINC000578884359	373586322	/nfs/dbraw/zinc/58/63/22/373586322.db2.gz	LMIKOTFGWYIIKS-KBPBESRZSA-N	1	3	323.441	-1.169	20	0		DAADHO
C[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C[C@@H](O)CN	ZINC000579957515	373594299	/nfs/dbraw/zinc/59/42/99/373594299.db2.gz	CNNWSSZOBKJORZ-ZDUSSCGKSA-N	1	3	322.413	-1.233	20	0		DAADHO
C[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C[C@@H](O)CN	ZINC000579957515	373594304	/nfs/dbraw/zinc/59/43/04/373594304.db2.gz	CNNWSSZOBKJORZ-ZDUSSCGKSA-N	1	3	322.413	-1.233	20	0		DAADHO
COC[C@]1(C(=O)Nc2nc(N3CCNCC3)n[nH]2)CC[NH2+]C1	ZINC000573719645	373555684	/nfs/dbraw/zinc/55/56/84/373555684.db2.gz	YHUHTUDWGSNGOA-ZDUSSCGKSA-N	1	3	309.374	-1.221	20	0		DAADHO
COC[C@@]1(C(=O)Nc2nc(N3CCNCC3)n[nH]2)CC[NH2+]C1	ZINC000573719638	373556022	/nfs/dbraw/zinc/55/60/22/373556022.db2.gz	YHUHTUDWGSNGOA-CYBMUJFWSA-N	1	3	309.374	-1.221	20	0		DAADHO
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+]	ZINC000577208871	373574163	/nfs/dbraw/zinc/57/41/63/373574163.db2.gz	PIXGXNMWVBFHPE-XBFCOCLRSA-N	1	3	323.441	-1.313	20	0		DAADHO
CN1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)C2)CC1	ZINC000627313796	373646868	/nfs/dbraw/zinc/64/68/68/373646868.db2.gz	MVZQYYQAEFHURS-CHWSQXEVSA-N	1	3	323.441	-1.251	20	0		DAADHO
C[NH2+]CCOCCNC(=O)C(=O)NCC1(N(C)C)CCC1	ZINC000627341344	373650814	/nfs/dbraw/zinc/65/08/14/373650814.db2.gz	GQYXMOXGSHJRDX-UHFFFAOYSA-N	1	3	300.403	-1.061	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cn(C)nn1	ZINC000580906519	373597828	/nfs/dbraw/zinc/59/78/28/373597828.db2.gz	AUPLAZHDTTZJSY-UHFFFAOYSA-N	1	3	311.390	-1.295	20	0		DAADHO
CN1CC[C@H]2CN(C(=O)C(=O)N3CCO[C@H](C[NH+](C)C)C3)C[C@H]21	ZINC000581653034	373601900	/nfs/dbraw/zinc/60/19/00/373601900.db2.gz	CKUMHGCBVFAIHP-BFHYXJOUSA-N	1	3	324.425	-1.062	20	0		DAADHO
CN(C)CCOCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1	ZINC000581665818	373602223	/nfs/dbraw/zinc/60/22/23/373602223.db2.gz	INNAUWXXBBRAAB-LBPRGKRZSA-N	1	3	300.403	-1.061	20	0		DAADHO
CC1CCN(CCNC(=O)C(=O)NC[C@H]2COCCN2)CC1	ZINC000627357749	373670276	/nfs/dbraw/zinc/67/02/76/373670276.db2.gz	PBYCUXIWSSOVHH-ZDUSSCGKSA-N	1	3	312.414	-1.061	20	0		DAADHO
O=C(NC[C@@H]1COCCN1)C(=O)N[C@@H]1CCN(CC2CC2)C1	ZINC000627380814	373671190	/nfs/dbraw/zinc/67/11/90/373671190.db2.gz	ZLTIHCKXVLWJBQ-CHWSQXEVSA-N	1	3	310.398	-1.309	20	0		DAADHO
CCCN1CC[C@H](NC(=O)C(=O)NCCOCC[NH2+]C)C1	ZINC000627428601	373675663	/nfs/dbraw/zinc/67/56/63/373675663.db2.gz	JLZSZCWVZPINGD-LBPRGKRZSA-N	1	3	300.403	-1.061	20	0		DAADHO
CN1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)C1	ZINC000627504370	373688926	/nfs/dbraw/zinc/68/89/26/373688926.db2.gz	KTYJMACHAKPSNA-KGLIPLIRSA-N	1	3	323.441	-1.297	20	0		DAADHO
CN(C)CCN1C[C@H](C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1=O	ZINC000649365963	545803178	/nfs/dbraw/zinc/80/31/78/545803178.db2.gz	AAFGZQQLFFMEHU-OLZOCXBDSA-N	1	3	311.430	-1.584	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)Cn1cnc(C(N)=O)n1	ZINC000651263789	409365005	/nfs/dbraw/zinc/36/50/05/409365005.db2.gz	JVXQSQXOQJHYSG-UHFFFAOYSA-N	1	3	311.390	-1.671	20	0		DAADHO
C[NH+](C)CCN1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1=O	ZINC000652734543	409407701	/nfs/dbraw/zinc/40/77/01/409407701.db2.gz	OGEPPRRXLJWRBN-AWEZNQCLSA-N	1	3	323.441	-1.391	20	0		DAADHO
CN(C)CCN1C[C@@H](C(=O)N2CCC(O)(C[NH3+])CC2)CC1=O	ZINC000515302134	409557685	/nfs/dbraw/zinc/55/76/85/409557685.db2.gz	KTNMKDGZAQHHDV-LBPRGKRZSA-N	1	3	312.414	-1.291	20	0		DAADHO
CCN1CCC[C@H]1CNC(=O)C(=O)NCC[NH2+]CCOC	ZINC000420188270	409541387	/nfs/dbraw/zinc/54/13/87/409541387.db2.gz	SSAGWSINUAFONY-LBPRGKRZSA-N	1	3	300.403	-1.061	20	0		DAADHO
COCCN(CCN(C)C)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1	ZINC000423262945	409547075	/nfs/dbraw/zinc/54/70/75/409547075.db2.gz	NWKXQDVGWWODGB-LBPRGKRZSA-N	1	3	316.402	-1.791	20	0		DAADHO
COCCN(CCN(C)C)C(=O)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000659742131	409698415	/nfs/dbraw/zinc/69/84/15/409698415.db2.gz	QXKYMGBJZMUSFG-UHFFFAOYSA-N	1	3	312.414	-1.109	20	0		DAADHO
COCC[N@H+](C)C[C@H](O)CN1CCN(C)C[C@H](C(=O)OC)C1	ZINC000568998307	409659625	/nfs/dbraw/zinc/65/96/25/409659625.db2.gz	TYTKNJPQSYOEHY-KBPBESRZSA-N	1	3	317.430	-1.038	20	0		DAADHO
COCC[N@@H+](C)C[C@H](O)CN1CCN(C)C[C@H](C(=O)OC)C1	ZINC000568998307	409659634	/nfs/dbraw/zinc/65/96/34/409659634.db2.gz	TYTKNJPQSYOEHY-KBPBESRZSA-N	1	3	317.430	-1.038	20	0		DAADHO
COCC[N@H+](C)C[C@@H](O)CN1CCN(C)C[C@@H](C(=O)OC)C1	ZINC000568998310	409660035	/nfs/dbraw/zinc/66/00/35/409660035.db2.gz	TYTKNJPQSYOEHY-ZIAGYGMSSA-N	1	3	317.430	-1.038	20	0		DAADHO
COCC[N@@H+](C)C[C@@H](O)CN1CCN(C)C[C@@H](C(=O)OC)C1	ZINC000568998310	409660041	/nfs/dbraw/zinc/66/00/41/409660041.db2.gz	TYTKNJPQSYOEHY-ZIAGYGMSSA-N	1	3	317.430	-1.038	20	0		DAADHO
CN(C)CCN1C[C@@H](C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1=O	ZINC000576348632	409660196	/nfs/dbraw/zinc/66/01/96/409660196.db2.gz	DSFMAXKRQJPXBJ-QWHCGFSZSA-N	1	3	311.430	-1.502	20	0		DAADHO
CN1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1(C)C	ZINC000581500408	409667581	/nfs/dbraw/zinc/66/75/81/409667581.db2.gz	QZDYONFLGKVKMS-LBPRGKRZSA-N	1	3	311.430	-1.393	20	0		DAADHO
CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1C[NH2+]CCO1	ZINC000659551861	409684435	/nfs/dbraw/zinc/68/44/35/409684435.db2.gz	CIOIWFZJAJNAMO-LBPRGKRZSA-N	1	3	315.418	-1.364	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](O)C1	ZINC000659318558	409685668	/nfs/dbraw/zinc/68/56/68/409685668.db2.gz	GEAVSGOBFPOOHP-CYBMUJFWSA-N	1	3	314.430	-1.079	20	0		DAADHO
O[C@@H]1C[C@H](O)CN(CCOCC[N@@H+]2C[C@H](O)C[C@H](O)C2)C1	ZINC000674498930	545868425	/nfs/dbraw/zinc/86/84/25/545868425.db2.gz	YPDRSZZQYKUICN-KPWCQOOUSA-N	1	3	304.387	-2.142	20	0		DAADHO
COCCN(CCN(C)C)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000423261305	263229258	/nfs/dbraw/zinc/22/92/58/263229258.db2.gz	JOBFEDVCBXEMFL-BETUJISGSA-N	1	3	312.414	-1.299	20	0		DAADHO
C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CN1C1CC1	ZINC000516434824	263229804	/nfs/dbraw/zinc/22/98/04/263229804.db2.gz	PMAXWOCXCXDDAC-MBNYWOFBSA-N	1	3	323.441	-1.171	20	0		DAADHO
C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1	ZINC000419417092	263275119	/nfs/dbraw/zinc/27/51/19/263275119.db2.gz	WPGYYAVIWRZSKK-STQMWFEESA-N	1	3	312.414	-1.061	20	0		DAADHO
C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1	ZINC000419417089	263278570	/nfs/dbraw/zinc/27/85/70/263278570.db2.gz	WPGYYAVIWRZSKK-QWHCGFSZSA-N	1	3	312.414	-1.061	20	0		DAADHO
CN(C)CCNC(=O)[C@H]1CC[C@H](C(=O)NCC[NH+](C)C)O1	ZINC000187303909	263282091	/nfs/dbraw/zinc/28/20/91/263282091.db2.gz	KNKJUGCXPPCQNC-VXGBXAGGSA-N	1	3	300.403	-1.110	20	0		DAADHO
O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1	ZINC000238095790	263283582	/nfs/dbraw/zinc/28/35/82/263283582.db2.gz	NBSDMCLMCVBJFE-QWHCGFSZSA-N	1	3	310.398	-1.524	20	0		DAADHO
CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1	ZINC000479289179	263293887	/nfs/dbraw/zinc/29/38/87/263293887.db2.gz	WCFORBFNTCSUGC-JHJVBQTASA-N	1	3	312.414	-1.232	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)CCNS(C)(=O)=O	ZINC000531357672	263316572	/nfs/dbraw/zinc/31/65/72/263316572.db2.gz	UBGAFJYABAJJAV-UHFFFAOYSA-N	1	3	308.448	-1.123	20	0		DAADHO
O=C(COC1C[NH2+]C1)N1CCN(C(=O)CN2CCCC2)CC1	ZINC000430870890	263323431	/nfs/dbraw/zinc/32/34/31/263323431.db2.gz	WDPPRNBBLZTYLK-UHFFFAOYSA-N	1	3	310.398	-1.259	20	0		DAADHO
C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C[C@H]1[NH3+]	ZINC000568869579	331809284	/nfs/dbraw/zinc/80/92/84/331809284.db2.gz	VEBWWYYLKHMBMX-CHWSQXEVSA-N	1	3	313.446	-1.256	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cc[nH]n1	ZINC000559288085	332016631	/nfs/dbraw/zinc/01/66/31/332016631.db2.gz	ONMMZNDFHVCBIV-UHFFFAOYSA-N	1	3	310.402	-1.022	20	0		DAADHO
COCC[N@H+](C)CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1	ZINC000582253067	336395466	/nfs/dbraw/zinc/39/54/66/336395466.db2.gz	BWXPXRJUZDSPBD-VXGBXAGGSA-N	1	3	313.402	-1.482	20	0		DAADHO
COCC[N@@H+](C)CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1	ZINC000582253067	336395467	/nfs/dbraw/zinc/39/54/67/336395467.db2.gz	BWXPXRJUZDSPBD-VXGBXAGGSA-N	1	3	313.402	-1.482	20	0		DAADHO
COCC[N@H+](C)CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1	ZINC000582253064	336395481	/nfs/dbraw/zinc/39/54/81/336395481.db2.gz	BWXPXRJUZDSPBD-NEPJUHHUSA-N	1	3	313.402	-1.482	20	0		DAADHO
COCC[N@@H+](C)CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1	ZINC000582253064	336395482	/nfs/dbraw/zinc/39/54/82/336395482.db2.gz	BWXPXRJUZDSPBD-NEPJUHHUSA-N	1	3	313.402	-1.482	20	0		DAADHO
COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCC[NH2+]C1	ZINC000419842032	337492761	/nfs/dbraw/zinc/49/27/61/337492761.db2.gz	LDCBHCJYGYOYDM-LBPRGKRZSA-N	1	3	300.403	-1.109	20	0		DAADHO
COCCN(C)CCCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21	ZINC000419675888	545767164	/nfs/dbraw/zinc/76/71/64/545767164.db2.gz	KXDJNBNIMDLWDO-OLZOCXBDSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[NH2+]CCNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1	ZINC000419879079	545771084	/nfs/dbraw/zinc/77/10/84/545771084.db2.gz	SKMRHQXGZUGLAF-GFCCVEGCSA-N	1	3	300.403	-1.109	20	0		DAADHO
C[C@@H](O)CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000659318639	545788789	/nfs/dbraw/zinc/78/87/89/545788789.db2.gz	OOCQPTXNYMLBRN-GFCCVEGCSA-N	1	3	302.419	-1.223	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCOC1	ZINC000672284096	545800127	/nfs/dbraw/zinc/80/01/27/545800127.db2.gz	QYZCCYJTWUYTRD-LBPRGKRZSA-N	1	3	300.403	-1.157	20	0		DAADHO
CCN(CC[NH3+])C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1	ZINC000627398913	545830404	/nfs/dbraw/zinc/83/04/04/545830404.db2.gz	ZFOZVPKUWSEDKC-ZDUSSCGKSA-N	1	3	313.446	-1.207	20	0		DAADHO
CN(C)CCN(CCN(C)C)C(=O)C(=O)N(C)CCC[NH3+]	ZINC000662929974	545842670	/nfs/dbraw/zinc/84/26/70/545842670.db2.gz	KIILRHAPXFKTJB-UHFFFAOYSA-N	1	3	301.435	-1.255	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCOC1	ZINC000672284095	545861801	/nfs/dbraw/zinc/86/18/01/545861801.db2.gz	QYZCCYJTWUYTRD-GFCCVEGCSA-N	1	3	300.403	-1.157	20	0		DAADHO
O[C@@H]1C[C@H](O)CN(CCOCC[N@H+]2C[C@H](O)C[C@H](O)C2)C1	ZINC000674498930	545868421	/nfs/dbraw/zinc/86/84/21/545868421.db2.gz	YPDRSZZQYKUICN-KPWCQOOUSA-N	1	3	304.387	-2.142	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1nnnn1C	ZINC000678567344	545878677	/nfs/dbraw/zinc/87/86/77/545878677.db2.gz	XMUPJESIBKDUOM-UHFFFAOYSA-N	1	3	312.422	-1.113	20	0		DAADHO
CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1	ZINC001199787904	782187201	/nfs/dbraw/zinc/18/72/01/782187201.db2.gz	HOIBNDUUKLHBPC-LLVKDONJSA-N	1	3	311.386	-1.144	20	0		DAADHO
C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1)C(N)=O	ZINC001022451454	662392946	/nfs/dbraw/zinc/39/29/46/662392946.db2.gz	ACHZSXJSKYTNGU-KSSLBASQSA-N	1	3	322.409	-1.040	20	0		DAADHO
[NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1	ZINC000926326102	662395004	/nfs/dbraw/zinc/39/50/04/662395004.db2.gz	KNMGTWURJXILHT-XJKSGUPXSA-N	1	3	324.425	-1.005	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2O)C1	ZINC001023788285	662460029	/nfs/dbraw/zinc/46/00/29/662460029.db2.gz	VAGCODKMMGWTPL-RAIGVLPGSA-N	1	3	321.381	-1.408	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2O)C1	ZINC001023788285	662460034	/nfs/dbraw/zinc/46/00/34/662460034.db2.gz	VAGCODKMMGWTPL-RAIGVLPGSA-N	1	3	321.381	-1.408	20	0		DAADHO
CC(C)N1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1	ZINC000978626569	662615198	/nfs/dbraw/zinc/61/51/98/662615198.db2.gz	FMZIWLMKOKOKBK-FQUUOJAGSA-N	1	3	324.425	-1.125	20	0		DAADHO
CC(C)N1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1	ZINC000978626569	662615200	/nfs/dbraw/zinc/61/52/00/662615200.db2.gz	FMZIWLMKOKOKBK-FQUUOJAGSA-N	1	3	324.425	-1.125	20	0		DAADHO
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCNCCNCC1	ZINC000910979082	663135455	/nfs/dbraw/zinc/13/54/55/663135455.db2.gz	UNTCELKMECJYRI-CYBMUJFWSA-N	1	3	313.446	-1.146	20	0		DAADHO
COCCN1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1	ZINC000910999883	663135788	/nfs/dbraw/zinc/13/57/88/663135788.db2.gz	NLSWQPKMEREUIP-DGCLKSJQSA-N	1	3	312.414	-1.063	20	0		DAADHO
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1	ZINC000911148680	663137660	/nfs/dbraw/zinc/13/76/60/663137660.db2.gz	ZSIBYFUOAUOQIB-KFNAQCHYSA-N	1	3	324.425	-1.103	20	0		DAADHO
C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1	ZINC000911148480	663137828	/nfs/dbraw/zinc/13/78/28/663137828.db2.gz	PESLKOBAYMIASG-ZOBORPQBSA-N	1	3	324.425	-1.063	20	0		DAADHO
C[C@H](CNC(=O)C(=O)N1CCNCCNCC1)[N@H+](C)C1CC1	ZINC000911204513	663139866	/nfs/dbraw/zinc/13/98/66/663139866.db2.gz	FMCILTGWZWHUFK-GFCCVEGCSA-N	1	3	311.430	-1.393	20	0		DAADHO
C[C@H](CNC(=O)C(=O)N1CCNCCNCC1)[N@@H+](C)C1CC1	ZINC000911204513	663139870	/nfs/dbraw/zinc/13/98/70/663139870.db2.gz	FMCILTGWZWHUFK-GFCCVEGCSA-N	1	3	311.430	-1.393	20	0		DAADHO
CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1	ZINC000911337781	663142364	/nfs/dbraw/zinc/14/23/64/663142364.db2.gz	WHHIQJKLUGQPPY-DOMZBBRYSA-N	1	3	312.414	-1.101	20	0		DAADHO
NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000996823016	663493854	/nfs/dbraw/zinc/49/38/54/663493854.db2.gz	SXEPUHLZTQWCPA-RYCVTPFZSA-N	1	3	322.409	-1.085	20	0		DAADHO
NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1	ZINC000999765528	663563748	/nfs/dbraw/zinc/56/37/48/663563748.db2.gz	PAFCVKBOPNRTMO-BWAOXVRWSA-N	1	3	322.409	-1.085	20	0		DAADHO
CN(CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)CCOCCO	ZINC000922110926	663622181	/nfs/dbraw/zinc/62/21/81/663622181.db2.gz	SJKGWIAQUOEJPN-KBPBESRZSA-N	1	3	315.414	-1.094	20	0		DAADHO
CN(CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)CCOCCO	ZINC000922110926	663622183	/nfs/dbraw/zinc/62/21/83/663622183.db2.gz	SJKGWIAQUOEJPN-KBPBESRZSA-N	1	3	315.414	-1.094	20	0		DAADHO
CN1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1	ZINC000946918723	663698537	/nfs/dbraw/zinc/69/85/37/663698537.db2.gz	PXYPOZOLUMZDQY-OLZOCXBDSA-N	1	3	324.425	-1.088	20	0		DAADHO
O=C(CN1CCCC1)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1	ZINC000946933203	663699306	/nfs/dbraw/zinc/69/93/06/663699306.db2.gz	SLTITKLPUHEVFI-ZDUSSCGKSA-N	1	3	324.425	-1.086	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)N2CCC(O)(CN[C@@H]3CCNC3=O)CC2)C1	ZINC000946928629	663699450	/nfs/dbraw/zinc/69/94/50/663699450.db2.gz	UMPSLOBYIQDSLF-QWHCGFSZSA-N	1	3	324.425	-1.230	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)N2CCC(O)(CN[C@@H]3CCNC3=O)CC2)C1	ZINC000946928629	663699453	/nfs/dbraw/zinc/69/94/53/663699453.db2.gz	UMPSLOBYIQDSLF-QWHCGFSZSA-N	1	3	324.425	-1.230	20	0		DAADHO
O=C(CN1CCCC1)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1	ZINC000946933202	663699528	/nfs/dbraw/zinc/69/95/28/663699528.db2.gz	SLTITKLPUHEVFI-CYBMUJFWSA-N	1	3	324.425	-1.086	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)N2CCC(O)(CN[C@@H]3CCNC3=O)CC2)C1	ZINC000946928627	663699556	/nfs/dbraw/zinc/69/95/56/663699556.db2.gz	UMPSLOBYIQDSLF-CHWSQXEVSA-N	1	3	324.425	-1.230	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)N2CCC(O)(CN[C@@H]3CCNC3=O)CC2)C1	ZINC000946928627	663699560	/nfs/dbraw/zinc/69/95/60/663699560.db2.gz	UMPSLOBYIQDSLF-CHWSQXEVSA-N	1	3	324.425	-1.230	20	0		DAADHO
[NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12	ZINC000848616664	663892592	/nfs/dbraw/zinc/89/25/92/663892592.db2.gz	QMTWJYNQSXWVJJ-OLZOCXBDSA-N	1	3	312.414	-1.101	20	0		DAADHO
[NH3+]CC12CC(C1)CN2C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1	ZINC000851685808	663896297	/nfs/dbraw/zinc/89/62/97/663896297.db2.gz	WFHMPKAPXHIJLX-BWAOXVRWSA-N	1	3	322.409	-1.085	20	0		DAADHO
O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000851685050	663896316	/nfs/dbraw/zinc/89/63/16/663896316.db2.gz	OVWOCTRWWYSHMP-LGESCRJUSA-N	1	3	322.409	-1.166	20	0		DAADHO
[NH3+]C[C@H]1CC(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)=NO1	ZINC000852865686	663898353	/nfs/dbraw/zinc/89/83/53/663898353.db2.gz	MDBLKJPTGJZMMG-GFCCVEGCSA-N	1	3	323.397	-1.143	20	0		DAADHO
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1	ZINC000861756030	663918977	/nfs/dbraw/zinc/91/89/77/663918977.db2.gz	SLSAPURVKXFPGA-UMSGYPCISA-N	1	3	310.398	-1.168	20	0		DAADHO
[NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)N2CCNCC2)CC1	ZINC000923646340	663946255	/nfs/dbraw/zinc/94/62/55/663946255.db2.gz	QMRJUSIMSKDUET-OLZOCXBDSA-N	1	3	318.443	-1.035	20	0		DAADHO
[NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1	ZINC000884560241	663965186	/nfs/dbraw/zinc/96/51/86/663965186.db2.gz	RLRTZOUCWCMZRV-UPJWGTAASA-N	1	3	310.398	-1.085	20	0		DAADHO
O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2	ZINC000884787476	663967269	/nfs/dbraw/zinc/96/72/69/663967269.db2.gz	SQNCBQUJBPFJGS-MJBXVCDLSA-N	1	3	322.409	-1.071	20	0		DAADHO
CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCNCCNCC1	ZINC000926334224	663981987	/nfs/dbraw/zinc/98/19/87/663981987.db2.gz	RUOOHBPOUTVBCW-ZDUSSCGKSA-N	1	3	311.430	-1.582	20	0		DAADHO
CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCNCCNCC1	ZINC000926334224	663981996	/nfs/dbraw/zinc/98/19/96/663981996.db2.gz	RUOOHBPOUTVBCW-ZDUSSCGKSA-N	1	3	311.430	-1.582	20	0		DAADHO
[NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1	ZINC000926336642	663982208	/nfs/dbraw/zinc/98/22/08/663982208.db2.gz	ZBAGJSKSKKDDTK-DOMZBBRYSA-N	1	3	310.398	-1.395	20	0		DAADHO
CN(C)C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCO1	ZINC000926332881	663982239	/nfs/dbraw/zinc/98/22/39/663982239.db2.gz	HKWQIKUHQIMKMF-MJBXVCDLSA-N	1	3	324.425	-1.157	20	0		DAADHO
CN(C)C[C@H]1CN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CCO1	ZINC000926335850	663982253	/nfs/dbraw/zinc/98/22/53/663982253.db2.gz	VFEHUCAYMIHIJO-STQMWFEESA-N	1	3	312.414	-1.027	20	0		DAADHO
CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCNCCNCC1	ZINC000926350239	663983020	/nfs/dbraw/zinc/98/30/20/663983020.db2.gz	FMPINXLQQSOQIF-UHFFFAOYSA-N	1	3	313.446	-1.192	20	0		DAADHO
CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1	ZINC000926382272	663983564	/nfs/dbraw/zinc/98/35/64/663983564.db2.gz	IVKCKOCHUXHUIY-WFASDCNBSA-N	1	3	312.414	-1.149	20	0		DAADHO
O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1CN2CC3CC2(C3)CO1	ZINC000961286849	664336641	/nfs/dbraw/zinc/33/66/41/664336641.db2.gz	ZKJXZIBCKVXQBE-FYXRNUCBSA-N	1	3	307.394	-1.112	20	0		DAADHO
O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1CN2CC3CC2(C3)CO1	ZINC000961286849	664336642	/nfs/dbraw/zinc/33/66/42/664336642.db2.gz	ZKJXZIBCKVXQBE-FYXRNUCBSA-N	1	3	307.394	-1.112	20	0		DAADHO
C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC(N)=O	ZINC001082653343	678118491	/nfs/dbraw/zinc/11/84/91/678118491.db2.gz	GLQSHHNSUVWDKE-KTGQDBSUSA-N	1	3	322.409	-1.229	20	0		DAADHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN1CCNC(=O)C1	ZINC000912303591	677817225	/nfs/dbraw/zinc/81/72/25/677817225.db2.gz	LMUZMGJLVOWCFM-ZDUSSCGKSA-N	1	3	313.446	-1.194	20	0		DAADHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN1CCNC(=O)C1	ZINC000912303591	677817227	/nfs/dbraw/zinc/81/72/27/677817227.db2.gz	LMUZMGJLVOWCFM-ZDUSSCGKSA-N	1	3	313.446	-1.194	20	0		DAADHO
C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)Cc2c[nH]cn2)C1	ZINC001040800589	678256590	/nfs/dbraw/zinc/25/65/90/678256590.db2.gz	HQTOQWDOBPMMBD-HNNXBMFYSA-N	1	3	323.397	-1.017	20	0		DAADHO
CC(C)N(C)CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1	ZINC001043431851	678379780	/nfs/dbraw/zinc/37/97/80/678379780.db2.gz	UGOKZGXZMHXJSR-UHFFFAOYSA-N	1	3	314.430	-1.032	20	0		DAADHO
CCCN(C)CC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1	ZINC001045714029	678469879	/nfs/dbraw/zinc/46/98/79/678469879.db2.gz	WLYLSAZNXXTFNB-UHFFFAOYSA-N	1	3	314.430	-1.031	20	0		DAADHO
CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)Cc2c[nH]cn2)C1	ZINC001046530998	678484187	/nfs/dbraw/zinc/48/41/87/678484187.db2.gz	GEFPXWLZSGPXTQ-UHFFFAOYSA-N	1	3	323.397	-1.017	20	0		DAADHO
CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)Cc2c[nH]cn2)C1	ZINC001046530998	678484189	/nfs/dbraw/zinc/48/41/89/678484189.db2.gz	GEFPXWLZSGPXTQ-UHFFFAOYSA-N	1	3	323.397	-1.017	20	0		DAADHO
CC[C@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)N(C)C	ZINC001070217733	678859908	/nfs/dbraw/zinc/85/99/08/678859908.db2.gz	POYBBIGXDXLFMQ-UPJWGTAASA-N	1	3	310.402	-1.048	20	0		DAADHO
NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1	ZINC001202667355	782256523	/nfs/dbraw/zinc/25/65/23/782256523.db2.gz	IWXOFVRTOAPSGR-UHFFFAOYSA-N	1	3	308.342	-1.272	20	0		DAADHO
C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21	ZINC001115126720	782643668	/nfs/dbraw/zinc/64/36/68/782643668.db2.gz	SSOQEGBGCWNXFI-CZXHOFHRSA-N	1	3	310.398	-1.501	20	0		DAADHO
C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21	ZINC001115125694	782643890	/nfs/dbraw/zinc/64/38/90/782643890.db2.gz	ARPZKAQIUWSRJH-NHAGDIPZSA-N	1	3	322.413	-1.097	20	0		DAADHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN1C(=O)CNC1=O	ZINC001118772746	782733915	/nfs/dbraw/zinc/73/39/15/782733915.db2.gz	QVLZWGBOMUIHDS-NSHDSACASA-N	1	3	313.402	-1.074	20	0		DAADHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN1C(=O)CNC1=O	ZINC001118772746	782733924	/nfs/dbraw/zinc/73/39/24/782733924.db2.gz	QVLZWGBOMUIHDS-NSHDSACASA-N	1	3	313.402	-1.074	20	0		DAADHO
CN(CCOCCN[C@H]1CCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001284877644	775488661	/nfs/dbraw/zinc/48/86/61/775488661.db2.gz	HFJKDYNSQUWVOP-STQMWFEESA-N	1	3	312.414	-1.109	20	0		DAADHO
CN(CCOCCN[C@H]1CCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001284877644	775488667	/nfs/dbraw/zinc/48/86/67/775488667.db2.gz	HFJKDYNSQUWVOP-STQMWFEESA-N	1	3	312.414	-1.109	20	0		DAADHO
NC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1	ZINC001127254191	775762818	/nfs/dbraw/zinc/76/28/18/775762818.db2.gz	CZMFZHJMTJNNLU-MNOVXSKESA-N	1	3	311.386	-1.239	20	0		DAADHO
NC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1	ZINC001127254191	775762824	/nfs/dbraw/zinc/76/28/24/775762824.db2.gz	CZMFZHJMTJNNLU-MNOVXSKESA-N	1	3	311.386	-1.239	20	0		DAADHO
CCCN(C)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O	ZINC001272566622	775778001	/nfs/dbraw/zinc/77/80/01/775778001.db2.gz	ABYATGTXKIVOBD-GHMZBOCLSA-N	1	3	314.386	-1.800	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNCCS(C)(=O)=O)C1	ZINC001272574438	775779768	/nfs/dbraw/zinc/77/97/68/775779768.db2.gz	HKSOMAGRPRWWEB-WDEREUQCSA-N	1	3	307.416	-1.951	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNCCS(C)(=O)=O)C1	ZINC001272574438	775779774	/nfs/dbraw/zinc/77/97/74/775779774.db2.gz	HKSOMAGRPRWWEB-WDEREUQCSA-N	1	3	307.416	-1.951	20	0		DAADHO
CS(=O)(=O)NCCNCCNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001127481619	775808669	/nfs/dbraw/zinc/80/86/69/775808669.db2.gz	VGWHTZSURWVTJE-LBPRGKRZSA-N	1	3	318.443	-1.417	20	0		DAADHO
CN1CC[C@H](NCCNC(=O)c2ccn(CC[NH+](C)C)n2)C1=O	ZINC001127562056	775811446	/nfs/dbraw/zinc/81/14/46/775811446.db2.gz	ANXYEPBCUZTEQW-ZDUSSCGKSA-N	1	3	322.413	-1.005	20	0		DAADHO
CN(C)C(=O)CNCCNC(=O)c1ccn(CC[NH+](C)C)n1	ZINC001127558878	775812228	/nfs/dbraw/zinc/81/22/28/775812228.db2.gz	UPJRQPNIHCGTAB-UHFFFAOYSA-N	1	3	310.402	-1.148	20	0		DAADHO
CCNC(=O)CNCCNC(=O)c1ccn(CC[NH+](C)C)n1	ZINC001127575876	775814144	/nfs/dbraw/zinc/81/41/44/775814144.db2.gz	CXVBETJHYMZSBO-UHFFFAOYSA-N	1	3	310.402	-1.100	20	0		DAADHO
C[C@@H]1[C@H](C(=O)NCCNCCNS(C)(=O)=O)CC[N@@H+]1C	ZINC001127644138	775818165	/nfs/dbraw/zinc/81/81/65/775818165.db2.gz	WJVADGWHEJBIHR-GHMZBOCLSA-N	1	3	306.432	-1.418	20	0		DAADHO
C[C@@H]1[C@H](C(=O)NCCNCCNS(C)(=O)=O)CC[N@H+]1C	ZINC001127644138	775818174	/nfs/dbraw/zinc/81/81/74/775818174.db2.gz	WJVADGWHEJBIHR-GHMZBOCLSA-N	1	3	306.432	-1.418	20	0		DAADHO
O=C(CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC1	ZINC001127779327	775865006	/nfs/dbraw/zinc/86/50/06/775865006.db2.gz	LGPWOCAJQIEOQF-STQMWFEESA-N	1	3	310.398	-1.212	20	0		DAADHO
O=C(CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC1	ZINC001127779327	775865009	/nfs/dbraw/zinc/86/50/09/775865009.db2.gz	LGPWOCAJQIEOQF-STQMWFEESA-N	1	3	310.398	-1.212	20	0		DAADHO
CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O	ZINC001128552131	775984064	/nfs/dbraw/zinc/98/40/64/775984064.db2.gz	KPHLGFOJJLTLJL-UWVGGRQHSA-N	1	3	319.381	-1.045	20	0		DAADHO
CCN(CC)CC(=O)NCCC[NH2+]CCNS(C)(=O)=O	ZINC001168762634	776076458	/nfs/dbraw/zinc/07/64/58/776076458.db2.gz	FFAWUUYLEOBWRS-UHFFFAOYSA-N	1	3	308.448	-1.027	20	0		DAADHO
CCN(CC)CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O	ZINC001168763317	776083001	/nfs/dbraw/zinc/08/30/01/776083001.db2.gz	NKFKNCYFGAMYJH-UHFFFAOYSA-N	1	3	313.402	-1.024	20	0		DAADHO
NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1	ZINC001086431713	776261970	/nfs/dbraw/zinc/26/19/70/776261970.db2.gz	AWXTVWIYMPQGFQ-RYMLTCQSSA-N	1	3	322.409	-1.181	20	0		DAADHO
CN(C)C1(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CCC1	ZINC001129357493	776313941	/nfs/dbraw/zinc/31/39/41/776313941.db2.gz	MLFPQIVYOFUKQE-UHFFFAOYSA-N	1	3	311.386	-1.272	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C	ZINC001129436471	776470436	/nfs/dbraw/zinc/47/04/36/776470436.db2.gz	PKIZPJWXBAZIDF-LBPRGKRZSA-N	1	3	313.402	-1.122	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C	ZINC001129448580	776470985	/nfs/dbraw/zinc/47/09/85/776470985.db2.gz	BTQPVJOGMYOTDP-ONGXEEELSA-N	1	3	313.402	-1.124	20	0		DAADHO
CN(CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O)C1CCC1	ZINC001129535452	776474402	/nfs/dbraw/zinc/47/44/02/776474402.db2.gz	SHWGPOZMXKJCJQ-UHFFFAOYSA-N	1	3	311.386	-1.272	20	0		DAADHO
CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1	ZINC001130137071	776495415	/nfs/dbraw/zinc/49/54/15/776495415.db2.gz	HSYYHEPLJHBTLW-OLZOCXBDSA-N	1	3	310.402	-1.048	20	0		DAADHO
NC(=O)NC(=O)CNCCNC(=O)C12CCC[NH+](CCC1)C2	ZINC001130170364	776495694	/nfs/dbraw/zinc/49/56/94/776495694.db2.gz	XJDDQPWSOKMKSP-UHFFFAOYSA-N	1	3	311.386	-1.237	20	0		DAADHO
O=C(CNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)NC1CC1	ZINC001131520504	776573324	/nfs/dbraw/zinc/57/33/24/776573324.db2.gz	ZVHOLAWLMUOTSY-RYCVTPFZSA-N	1	3	322.409	-1.166	20	0		DAADHO
O=C(CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)NC1CC1	ZINC001131520504	776573332	/nfs/dbraw/zinc/57/33/32/776573332.db2.gz	ZVHOLAWLMUOTSY-RYCVTPFZSA-N	1	3	322.409	-1.166	20	0		DAADHO
CCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131519486	776574832	/nfs/dbraw/zinc/57/48/32/776574832.db2.gz	GTAXUOXIWVAUFM-MQYJIDSJSA-N	1	3	310.398	-1.309	20	0		DAADHO
CCNC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1	ZINC001131519486	776574840	/nfs/dbraw/zinc/57/48/40/776574840.db2.gz	GTAXUOXIWVAUFM-MQYJIDSJSA-N	1	3	310.398	-1.309	20	0		DAADHO
CN1CC[C@@H](NCCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O	ZINC001131521533	776575148	/nfs/dbraw/zinc/57/51/48/776575148.db2.gz	ANKWMBQVYXAHCI-WULFKBJJSA-N	1	3	322.409	-1.214	20	0		DAADHO
CN1CC[C@@H](NCCNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1=O	ZINC001131521533	776575149	/nfs/dbraw/zinc/57/51/49/776575149.db2.gz	ANKWMBQVYXAHCI-WULFKBJJSA-N	1	3	322.409	-1.214	20	0		DAADHO
COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1	ZINC001131519426	776575192	/nfs/dbraw/zinc/57/51/92/776575192.db2.gz	FETZJAHCEVZWRQ-DNCHLWJUSA-N	1	3	313.398	-1.437	20	0		DAADHO
C[NH+](C)CC1(C(=O)NCCNCCNS(C)(=O)=O)CC1	ZINC001132995497	776648347	/nfs/dbraw/zinc/64/83/47/776648347.db2.gz	VNNFCRLADOLAGS-UHFFFAOYSA-N	1	3	306.432	-1.417	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1	ZINC001132992534	776648772	/nfs/dbraw/zinc/64/87/72/776648772.db2.gz	BBRJDEZGORWGOU-UHFFFAOYSA-N	1	3	313.402	-1.120	20	0		DAADHO
C[NH+](C)CCC(=O)NCCNCC(=O)NC1CCOCC1	ZINC001133294497	776665661	/nfs/dbraw/zinc/66/56/61/776665661.db2.gz	LCEIRSRKKKCVRF-UHFFFAOYSA-N	1	3	300.403	-1.061	20	0		DAADHO
CC(C)[C@H](C(=O)NCCNCCNS(C)(=O)=O)[NH+](C)C	ZINC001133434192	776666917	/nfs/dbraw/zinc/66/69/17/776666917.db2.gz	KJEKCVIEAQNART-LLVKDONJSA-N	1	3	308.448	-1.172	20	0		DAADHO
CC(C)[C@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)N(C)C	ZINC001133434398	776667608	/nfs/dbraw/zinc/66/76/08/776667608.db2.gz	PEPFFDFMLOOAGG-GFCCVEGCSA-N	1	3	313.402	-1.170	20	0		DAADHO
C[C@H]1CCN(CC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1	ZINC001133845341	776678500	/nfs/dbraw/zinc/67/85/00/776678500.db2.gz	BWMWCJQUESDZRA-NSHDSACASA-N	1	3	311.386	-1.414	20	0		DAADHO
C[C@H]1CCN(CC(=O)NCC[NH2+]CCNS(C)(=O)=O)C1	ZINC001133850669	776678670	/nfs/dbraw/zinc/67/86/70/776678670.db2.gz	PLJGLNMTIYMQMK-NSHDSACASA-N	1	3	306.432	-1.417	20	0		DAADHO
CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)N(C)C	ZINC001133968047	776686479	/nfs/dbraw/zinc/68/64/79/776686479.db2.gz	LSGZAWWPOCORST-ZJUUUORDSA-N	1	3	301.391	-1.124	20	0		DAADHO
CC[C@@H](C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O)N(C)C	ZINC001133966062	776686993	/nfs/dbraw/zinc/68/69/93/776686993.db2.gz	VUOHPWUWMWHYOB-NSHDSACASA-N	1	3	313.402	-1.026	20	0		DAADHO
CN(C)C(=O)CNCCNC(=O)c1cnn(CC[NH+](C)C)c1	ZINC001135114547	776734642	/nfs/dbraw/zinc/73/46/42/776734642.db2.gz	HCTIGFYGOVAJPQ-UHFFFAOYSA-N	1	3	310.402	-1.148	20	0		DAADHO
CN1CC[C@@H](NCCNC(=O)c2cnn(CC[NH+](C)C)c2)C1=O	ZINC001135118461	776736990	/nfs/dbraw/zinc/73/69/90/776736990.db2.gz	OCEQEJHZSUEHRC-CYBMUJFWSA-N	1	3	322.413	-1.005	20	0		DAADHO
CCN(CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC	ZINC001135513807	776760346	/nfs/dbraw/zinc/76/03/46/776760346.db2.gz	ZFVOHWZZTNOXKP-SNVBAGLBSA-N	1	3	301.391	-1.122	20	0		DAADHO
CNC(=O)[C@@H](C)NCCNC(=O)COC1CC[NH+](C)CC1	ZINC001135958527	776776123	/nfs/dbraw/zinc/77/61/23/776776123.db2.gz	BMBLZDVGWOIVCN-LLVKDONJSA-N	1	3	300.403	-1.063	20	0		DAADHO
O=C([C@@H]1C[C@H](NC[C@@H]2CNCCO2)C[NH2+]1)N1CCSC1	ZINC001246088088	776787269	/nfs/dbraw/zinc/78/72/69/776787269.db2.gz	ISAQNXKCHXOJNA-SRVKXCTJSA-N	1	3	300.428	-1.172	20	0		DAADHO
CN1CC[NH+](CCCCNCc2cn(CC(N)=O)nn2)CC1	ZINC001308197255	778103355	/nfs/dbraw/zinc/10/33/55/778103355.db2.gz	JHMRCJZPAAUYTK-UHFFFAOYSA-N	1	3	309.418	-1.119	20	0		DAADHO
C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1	ZINC001119634175	779510163	/nfs/dbraw/zinc/51/01/63/779510163.db2.gz	BELAMPIHYDYPKW-CYBMUJFWSA-N	1	3	311.430	-1.582	20	0		DAADHO
[NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1	ZINC001120420644	779519900	/nfs/dbraw/zinc/51/99/00/779519900.db2.gz	MVWOZBRVBFNRSY-LPWJVIDDSA-N	1	3	310.398	-1.181	20	0		DAADHO
CC[NH+]1CCC(NC(=O)C(=O)N2CCNCCNCC2)CC1	ZINC001120516224	779525136	/nfs/dbraw/zinc/52/51/36/779525136.db2.gz	CDPCSRYLKPMXFC-UHFFFAOYSA-N	1	3	311.430	-1.392	20	0		DAADHO
CCOCCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001151049620	779669059	/nfs/dbraw/zinc/66/90/59/779669059.db2.gz	UPXRZFGYXRRLAB-LBPRGKRZSA-N	1	3	300.403	-1.203	20	0		DAADHO
CCOCCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001151049620	779669064	/nfs/dbraw/zinc/66/90/64/779669064.db2.gz	UPXRZFGYXRRLAB-LBPRGKRZSA-N	1	3	300.403	-1.203	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC[C@@H]2CCCO2)C1	ZINC001151049817	779671402	/nfs/dbraw/zinc/67/14/02/779671402.db2.gz	ZMCWQVLUAGTWAB-OLZOCXBDSA-N	1	3	312.414	-1.061	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC[C@@H]2CCCO2)C1	ZINC001151049817	779671406	/nfs/dbraw/zinc/67/14/06/779671406.db2.gz	ZMCWQVLUAGTWAB-OLZOCXBDSA-N	1	3	312.414	-1.061	20	0		DAADHO
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1COC2(CNC2)CN1	ZINC001157322879	779751838	/nfs/dbraw/zinc/75/18/38/779751838.db2.gz	BMPDUFIEECTVFC-WDEREUQCSA-N	1	3	313.402	-2.323	20	0		DAADHO
CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1(O)CCN(C)CC1	ZINC001157324313	779752459	/nfs/dbraw/zinc/75/24/59/779752459.db2.gz	VEPQJUVKNATGJD-NSHDSACASA-N	1	3	300.403	-1.197	20	0		DAADHO
O=C([C@H]1CCCO1)N1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1	ZINC001157498238	779755886	/nfs/dbraw/zinc/75/58/86/779755886.db2.gz	YFNKVGLSVZUGKY-CHWSQXEVSA-N	1	3	322.409	-1.355	20	0		DAADHO
O=C([C@@H]1CCCO1)N1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1	ZINC001157498241	779756540	/nfs/dbraw/zinc/75/65/40/779756540.db2.gz	YFNKVGLSVZUGKY-STQMWFEESA-N	1	3	322.409	-1.355	20	0		DAADHO
CN(C[C@@H]1CNCCO1)C(=O)[C@@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001157716174	779757173	/nfs/dbraw/zinc/75/71/73/779757173.db2.gz	MEWNOMOMRRLHOT-RYUDHWBXSA-N	1	3	310.398	-1.451	20	0		DAADHO
CN(C[C@@H]1CNCCO1)C(=O)c1cnc(N2CC[NH2+]CC2)cn1	ZINC001157720417	779757667	/nfs/dbraw/zinc/75/76/67/779757667.db2.gz	IRRMAAQMJZSGPW-LBPRGKRZSA-N	1	3	320.397	-1.053	20	0		DAADHO
C[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)C[C@@H]1[NH3+]	ZINC001157799717	779759017	/nfs/dbraw/zinc/75/90/17/779759017.db2.gz	RDICBRZZEOWMOR-VWYCJHECSA-N	1	3	301.412	-1.041	20	0		DAADHO
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCNC[C@H]1c1ccccc1	ZINC001157973352	779763242	/nfs/dbraw/zinc/76/32/42/779763242.db2.gz	RTYDWINOAJIPSW-UBHSHLNASA-N	1	3	320.393	-1.016	20	0		DAADHO
O=C([C@H]1COC2(CNC2)CN1)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158093929	779765964	/nfs/dbraw/zinc/76/59/64/779765964.db2.gz	YSAUCPCAAKDBCD-MFKMUULPSA-N	1	3	309.370	-2.993	20	0		DAADHO
O=C([C@H]1CCC2(CNC2)O1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158109885	779766847	/nfs/dbraw/zinc/76/68/47/779766847.db2.gz	FKXUGPKWBWDPKX-BDJLRTHQSA-N	1	3	320.393	-1.555	20	0		DAADHO
O=C([C@@H]1CCC2(CNC2)O1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158109889	779767136	/nfs/dbraw/zinc/76/71/36/779767136.db2.gz	FKXUGPKWBWDPKX-MEDUHNTESA-N	1	3	320.393	-1.555	20	0		DAADHO
COC(=O)CC[C@H](N)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158110796	779767437	/nfs/dbraw/zinc/76/74/37/779767437.db2.gz	ISQWWTGLHPXDJY-ZUZCIYMTSA-N	1	3	324.381	-1.795	20	0		DAADHO
COC(=O)CC[C@@H](N)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158110785	779767499	/nfs/dbraw/zinc/76/74/99/779767499.db2.gz	ISQWWTGLHPXDJY-BMIGLBTASA-N	1	3	324.381	-1.795	20	0		DAADHO
N[C@H](C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)C1CCOCC1	ZINC001158118586	779767912	/nfs/dbraw/zinc/76/79/12/779767912.db2.gz	AWHWLEKHIULRPT-LRDDRELGSA-N	1	3	322.409	-1.322	20	0		DAADHO
O=C([C@@H]1CNC[C@H](F)C1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158112157	779768155	/nfs/dbraw/zinc/76/81/55/779768155.db2.gz	WFXUSTORJDTOGW-FIXISWKDSA-N	1	3	310.373	-1.128	20	0		DAADHO
O=C(c1[nH]nc2c1CNC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158118883	779768169	/nfs/dbraw/zinc/76/81/69/779768169.db2.gz	DCRNSFDFVVTUNF-HNNXBMFYSA-N	1	3	316.365	-1.435	20	0		DAADHO
C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC2CC1(C[NH3+])C2)C(N)=O	ZINC001158190479	779770765	/nfs/dbraw/zinc/77/07/65/779770765.db2.gz	HEWZWHJLPAVZPG-YIRRWDMUSA-N	1	3	311.386	-1.966	20	0		DAADHO
COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2	ZINC001158235454	779772123	/nfs/dbraw/zinc/77/21/23/779772123.db2.gz	KTEJQGSHDFAJJE-RWSFTLGLSA-N	1	3	309.366	-1.557	20	0		DAADHO
N[C@H](C(=O)N1CCC2(CC1)COCC(=O)N2)C1CC[NH2+]CC1	ZINC001158326660	779773495	/nfs/dbraw/zinc/77/34/95/779773495.db2.gz	KDYPZMQTCPCQOO-ZDUSSCGKSA-N	1	3	310.398	-1.179	20	0		DAADHO
[NH3+]C1([C@@H]2CN(C(=O)[C@@H]3COC4(CNC4)CN3)C[C@H]2CF)CC1	ZINC001158568967	779778027	/nfs/dbraw/zinc/77/80/27/779778027.db2.gz	UOTJISPUALJRDF-UTUOFQBUSA-N	1	3	312.389	-1.148	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3	ZINC001158545791	779778182	/nfs/dbraw/zinc/77/81/82/779778182.db2.gz	ILJWUVVTXAQQGK-QHUBEEEXSA-N	1	3	310.398	-1.182	20	0		DAADHO
[NH3+]C1([C@@H]2CN(C(=O)[C@H]3COC4(CNC4)CN3)C[C@H]2CF)CC1	ZINC001158568962	779778339	/nfs/dbraw/zinc/77/83/39/779778339.db2.gz	UOTJISPUALJRDF-IJLUTSLNSA-N	1	3	312.389	-1.148	20	0		DAADHO
CNC(=O)CN1CCCC12CCN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)CC2	ZINC001158890172	779781420	/nfs/dbraw/zinc/78/14/20/779781420.db2.gz	AZYWLKXCQVTWBP-CHWSQXEVSA-N	1	3	324.425	-1.088	20	0		DAADHO
CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H](N)CCC[NH3+])C2	ZINC001159929413	779798457	/nfs/dbraw/zinc/79/84/57/779798457.db2.gz	IROVZAKAVWAPHN-JTQLQIEISA-N	1	3	309.374	-1.677	20	0		DAADHO
CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1C[NH2+]CC12CNC2	ZINC001160438757	779806396	/nfs/dbraw/zinc/80/63/96/779806396.db2.gz	CDUZGRAISMFYRO-QWRGUYRKSA-N	1	3	324.381	-1.924	20	0		DAADHO
CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[NH2+]CC12CNC2	ZINC001160438758	779806508	/nfs/dbraw/zinc/80/65/08/779806508.db2.gz	CDUZGRAISMFYRO-WDEREUQCSA-N	1	3	324.381	-1.924	20	0		DAADHO
CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H](N)CCCC[NH3+]	ZINC001160440502	779807231	/nfs/dbraw/zinc/80/72/31/779807231.db2.gz	QWFFRPIPKFFKFP-QWRGUYRKSA-N	1	3	314.386	-1.277	20	0		DAADHO
N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@H]1COC2(CNC2)CN1	ZINC001160539423	779811292	/nfs/dbraw/zinc/81/12/92/779811292.db2.gz	SNDNUPLHMCGXCI-CMPLNLGQSA-N	1	3	318.381	-1.242	20	0		DAADHO
COC(=O)C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCO1	ZINC001160596497	779812050	/nfs/dbraw/zinc/81/20/50/779812050.db2.gz	QDZODSMGNPPNLK-TYNCELHUSA-N	1	3	311.382	-1.024	20	0		DAADHO
CCOC(=O)[C@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])CCO1	ZINC001160595567	779812038	/nfs/dbraw/zinc/81/20/38/779812038.db2.gz	FKHRPZLFXTWEEI-VHSXEESVSA-N	1	3	305.400	-1.204	20	0		DAADHO
CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1	ZINC001160652378	779814926	/nfs/dbraw/zinc/81/49/26/779814926.db2.gz	CITDDOAXVWLYRZ-WHOHXGKFSA-N	1	3	300.403	-1.215	20	0		DAADHO
[NH3+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)C[C@@H]1F	ZINC001160648424	779815110	/nfs/dbraw/zinc/81/51/10/779815110.db2.gz	CYYYAPFRWKDKNZ-KXUCPTDWSA-N	1	3	305.375	-1.339	20	0		DAADHO
[NH3+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)C[C@H]1O	ZINC001160652394	779815588	/nfs/dbraw/zinc/81/55/88/779815588.db2.gz	DAXKFOXCIXRDLT-IVZWLZJFSA-N	1	3	303.384	-2.316	20	0		DAADHO
C[C@H](N)C(=O)N1[C@H](C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)COC1(C)C	ZINC001160656552	779815732	/nfs/dbraw/zinc/81/57/32/779815732.db2.gz	YQXQAZOTYKOENY-ZRUFSTJUSA-N	1	3	314.386	-1.782	20	0		DAADHO
O=C([C@@H]1C[NH2+]CC12CNC2)N1CCc2[nH]c(=O)[nH]c(=O)c2C1	ZINC001160641149	779815743	/nfs/dbraw/zinc/81/57/43/779815743.db2.gz	WMZIZWVDVPDHTQ-VIFPVBQESA-N	1	3	305.338	-1.419	20	0		DAADHO
O=C([C@H]1C[NH2+]CC12CNC2)N1CCC2(CC1)CC(=O)NC(=O)C2	ZINC001160716690	779816362	/nfs/dbraw/zinc/81/63/62/779816362.db2.gz	SXZVUKAXRSSKNV-LLVKDONJSA-N	1	3	320.393	-1.159	20	0		DAADHO
CCNC(=O)CO[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1	ZINC001160746277	779817260	/nfs/dbraw/zinc/81/72/60/779817260.db2.gz	FHCMSNBDLNJYJO-QWHCGFSZSA-N	1	3	324.425	-1.061	20	0		DAADHO
O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCN2C(=O)COC[C@H]2C1	ZINC001160789723	779818580	/nfs/dbraw/zinc/81/85/80/779818580.db2.gz	FDUNYTFQBBTFTA-CHWSQXEVSA-N	1	3	322.409	-1.070	20	0		DAADHO
O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCN2C(=O)COC[C@H]2C1	ZINC001160789723	779818585	/nfs/dbraw/zinc/81/85/85/779818585.db2.gz	FDUNYTFQBBTFTA-CHWSQXEVSA-N	1	3	322.409	-1.070	20	0		DAADHO
N[C@@H](CSCC[NH3+])C(=O)N1CCC2(CC1)CNC(=O)CO2	ZINC001160772011	779818802	/nfs/dbraw/zinc/81/88/02/779818802.db2.gz	LSYZUKWOFSJQGT-JTQLQIEISA-N	1	3	316.427	-1.487	20	0		DAADHO
CN(C)C[C@@H]1COCCN1C(=O)CN(CC[NH3+])S(C)(=O)=O	ZINC001160838406	779821675	/nfs/dbraw/zinc/82/16/75/779821675.db2.gz	IJWZHVFIVKEUKV-LLVKDONJSA-N	1	3	322.431	-2.004	20	0		DAADHO
NC(=O)NCCC[C@H](N)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1	ZINC001160999603	779824771	/nfs/dbraw/zinc/82/47/71/779824771.db2.gz	IDRCAXDAOGCSOE-WDEREUQCSA-N	1	3	313.402	-1.522	20	0		DAADHO
COC(=O)[C@@]1(N)CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1	ZINC001161138534	779828056	/nfs/dbraw/zinc/82/80/56/779828056.db2.gz	UVBACQYDALKXQF-XHDPSFHLSA-N	1	3	310.398	-1.037	20	0		DAADHO
COC(=O)[C@@]1(N)CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1	ZINC001161138534	779828066	/nfs/dbraw/zinc/82/80/66/779828066.db2.gz	UVBACQYDALKXQF-XHDPSFHLSA-N	1	3	310.398	-1.037	20	0		DAADHO
CCOC(=O)CN(CCC[NH3+])C(=O)[C@H](C)NC(=O)[C@H](C)N	ZINC001161157373	779829618	/nfs/dbraw/zinc/82/96/18/779829618.db2.gz	CAMJWQPJOFXSEP-UWVGGRQHSA-N	1	3	302.375	-1.421	20	0		DAADHO
N[C@@H](C(=O)N1CCN(c2ncncn2)CC1)C1CC[NH2+]CC1	ZINC001161247300	779830372	/nfs/dbraw/zinc/83/03/72/779830372.db2.gz	CGBIDRNHKSYKFV-GFCCVEGCSA-N	1	3	305.386	-1.153	20	0		DAADHO
C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@](F)(C[NH3+])C1)C(N)=O	ZINC001161245050	779830664	/nfs/dbraw/zinc/83/06/64/779830664.db2.gz	BGFUPDHEXPEGEF-RWEMILLDSA-N	1	3	317.365	-2.017	20	0		DAADHO
O=C([C@@H]1C[NH2+]CC12CNC2)N1Cc2ccnn2CC[C@H]1CO	ZINC001161170086	779831424	/nfs/dbraw/zinc/83/14/24/779831424.db2.gz	ISJBDMDINIMKGS-STQMWFEESA-N	1	3	305.382	-1.215	20	0		DAADHO
C[C@H](N)C(=O)N[C@H](CCC(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21)C(N)=O	ZINC001161220689	779831654	/nfs/dbraw/zinc/83/16/54/779831654.db2.gz	FYENDAPXYCXMOR-DSPMHBFJSA-N	1	3	311.386	-2.240	20	0		DAADHO
CCS(=O)(=O)NC1CCN(C(=O)[C@@H](N)CCC[NH3+])CC1	ZINC001161260248	779832002	/nfs/dbraw/zinc/83/20/02/779832002.db2.gz	LUDMVDKYMUUMOK-NSHDSACASA-N	1	3	306.432	-1.017	20	0		DAADHO
CNC(=O)NC1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1	ZINC001161269277	779832137	/nfs/dbraw/zinc/83/21/37/779832137.db2.gz	WIMSHYBHOJCSIK-JTQLQIEISA-N	1	3	303.432	-1.074	20	0		DAADHO
CCS(=O)(=O)NC1CCN(C(=O)[C@H](N)CCC[NH3+])CC1	ZINC001161260247	779832339	/nfs/dbraw/zinc/83/23/39/779832339.db2.gz	LUDMVDKYMUUMOK-LLVKDONJSA-N	1	3	306.432	-1.017	20	0		DAADHO
COC(=O)[C@@]1(C)COCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001161372831	779833864	/nfs/dbraw/zinc/83/38/64/779833864.db2.gz	LQCDDBOAHJLIDT-KCPJHIHWSA-N	1	3	311.382	-1.024	20	0		DAADHO
COC(=O)[C@]1(C)COCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001161372829	779834034	/nfs/dbraw/zinc/83/40/34/779834034.db2.gz	LQCDDBOAHJLIDT-BYCMXARLSA-N	1	3	311.382	-1.024	20	0		DAADHO
COC(=O)[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)CCN1C(C)=O	ZINC001161297215	779834896	/nfs/dbraw/zinc/83/48/96/779834896.db2.gz	WAZUJUVHPFJRPS-NEPJUHHUSA-N	1	3	324.381	-1.972	20	0		DAADHO
O=C([C@@H]1COC2(CNC2)CN1)N1CCO[C@@H](C[NH+]2CCCC2)C1	ZINC001161382427	779835272	/nfs/dbraw/zinc/83/52/72/779835272.db2.gz	XNUSTMZQFCHZRO-KBPBESRZSA-N	1	3	324.425	-1.360	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1	ZINC001161413632	779835722	/nfs/dbraw/zinc/83/57/22/779835722.db2.gz	RBIXVYIKCDVUTJ-QHZLYTNSSA-N	1	3	311.386	-2.111	20	0		DAADHO
[NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C34CNC4)C[C@H]12	ZINC001161411827	779836293	/nfs/dbraw/zinc/83/62/93/779836293.db2.gz	BEOXOGCKCAWNSS-WRWGMCAJSA-N	1	3	313.423	-1.041	20	0		DAADHO
CO[C@@H]1CN(C(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)N)C[C@@H]1[NH3+]	ZINC001161493385	779840528	/nfs/dbraw/zinc/84/05/28/779840528.db2.gz	MRNGGQFHTRJVGM-XWLWVQCSSA-N	1	3	314.386	-1.518	20	0		DAADHO
[NH3+][C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)CC12COC2	ZINC001161511174	779841816	/nfs/dbraw/zinc/84/18/16/779841816.db2.gz	YAWKKBPAFTYHOO-UWVGGRQHSA-N	1	3	315.395	-2.051	20	0		DAADHO
CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)N(C)C	ZINC001166004730	779889246	/nfs/dbraw/zinc/88/92/46/779889246.db2.gz	VEBPTEKCIURHET-LLVKDONJSA-N	1	3	301.391	-1.137	20	0		DAADHO
CN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001207683989	779923331	/nfs/dbraw/zinc/92/33/31/779923331.db2.gz	JCDPMRNJWCNATF-WDEREUQCSA-N	1	3	311.386	-1.144	20	0		DAADHO
NC(=O)NC(=O)CN[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001210684446	779962901	/nfs/dbraw/zinc/96/29/01/779962901.db2.gz	GLBXTJWFMMMTIQ-NSHDSACASA-N	1	3	323.397	-1.142	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCC(=O)NC(N)=O)C2)C1	ZINC001211065748	779966587	/nfs/dbraw/zinc/96/65/87/779966587.db2.gz	ZDLWAZXCYAUUIA-WDEREUQCSA-N	1	3	311.386	-1.286	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCC(=O)NC(N)=O)C2)C1	ZINC001211065748	779966598	/nfs/dbraw/zinc/96/65/98/779966598.db2.gz	ZDLWAZXCYAUUIA-WDEREUQCSA-N	1	3	311.386	-1.286	20	0		DAADHO
C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NC(N)=O	ZINC001214335943	779993983	/nfs/dbraw/zinc/99/39/83/779993983.db2.gz	OJZWVNAKVZTFPG-MXWKQRLJSA-N	1	3	311.386	-1.288	20	0		DAADHO
C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NC(N)=O	ZINC001214335942	779994002	/nfs/dbraw/zinc/99/40/02/779994002.db2.gz	OJZWVNAKVZTFPG-GMTAPVOTSA-N	1	3	311.386	-1.288	20	0		DAADHO
C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)NC(N)=O	ZINC001215421342	780008903	/nfs/dbraw/zinc/00/89/03/780008903.db2.gz	BZJNLWLTBRBWHY-GHMZBOCLSA-N	1	3	313.402	-1.040	20	0		DAADHO
NS(=O)(=O)c1cncc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1	ZINC001218750779	780041254	/nfs/dbraw/zinc/04/12/54/780041254.db2.gz	LLBGWADLBPBQEU-JTQLQIEISA-N	1	3	311.367	-1.524	20	0		DAADHO
CC[NH+](CC)CCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N	ZINC001219555704	780116406	/nfs/dbraw/zinc/11/64/06/780116406.db2.gz	NXZPJNBBXGMWOT-UWVGGRQHSA-N	1	3	301.391	-1.848	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(CC[NH3+])S(C)(=O)=O	ZINC001219595768	780122467	/nfs/dbraw/zinc/12/24/67/780122467.db2.gz	OPGUCJLJZZQELD-BQBZGAKWSA-N	1	3	323.375	-3.559	20	0		DAADHO
O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1COC2(CNC2)CN1	ZINC001219611135	780123459	/nfs/dbraw/zinc/12/34/59/780123459.db2.gz	WHNOXDZWOSSQPA-KWQFWETISA-N	1	3	308.304	-1.273	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1	ZINC001219650113	780128430	/nfs/dbraw/zinc/12/84/30/780128430.db2.gz	MLEOIMAYCXEOEZ-MMWGEVLESA-N	1	3	313.402	-1.944	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1	ZINC001219650115	780128688	/nfs/dbraw/zinc/12/86/88/780128688.db2.gz	MLEOIMAYCXEOEZ-RCWTZXSCSA-N	1	3	313.402	-1.944	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1	ZINC001219650114	780129349	/nfs/dbraw/zinc/12/93/49/780129349.db2.gz	MLEOIMAYCXEOEZ-NAKRPEOUSA-N	1	3	313.402	-1.944	20	0		DAADHO
[NH3+]CCCNCC(=O)NCCS(=O)(=O)N1CCNCC1	ZINC001219678519	780134821	/nfs/dbraw/zinc/13/48/21/780134821.db2.gz	RFVRELDKMBELFU-UHFFFAOYSA-N	1	3	307.420	-2.724	20	0		DAADHO
C[C@H](N)C(=O)N1[C@H](C(=O)NCCC2(O)C[NH2+]C2)COC1(C)C	ZINC001219697055	780136762	/nfs/dbraw/zinc/13/67/62/780136762.db2.gz	PSFLBTZCUIVEER-UWVGGRQHSA-N	1	3	314.386	-1.862	20	0		DAADHO
CC(C)C[C@H](N)C(=O)NCC(=O)NC[C@H]1CC2(C[NH2+]C2)CO1	ZINC001219736123	780140009	/nfs/dbraw/zinc/14/00/09/780140009.db2.gz	BARDJQTWSMFNIW-NEPJUHHUSA-N	1	3	312.414	-1.029	20	0		DAADHO
O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1COC2(CNC2)CN1	ZINC001219741797	780141783	/nfs/dbraw/zinc/14/17/83/780141783.db2.gz	UTPWIOZYKPIXSN-CHWSQXEVSA-N	1	3	324.425	-1.266	20	0		DAADHO
N[C@@H](CCC[NH3+])C(=O)NCc1cc(=O)n2c(n1)CNCCC2	ZINC001219802808	780148896	/nfs/dbraw/zinc/14/88/96/780148896.db2.gz	CSGMGKGTMPIAHB-NSHDSACASA-N	1	3	308.386	-1.581	20	0		DAADHO
O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CNCc2ccnn2C1	ZINC001219812521	780150974	/nfs/dbraw/zinc/15/09/74/780150974.db2.gz	DDRIINRBFYNRPQ-HUBLWGQQSA-N	1	3	305.382	-1.045	20	0		DAADHO
N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1noc2c1CNCC2	ZINC001219811638	780152256	/nfs/dbraw/zinc/15/22/56/780152256.db2.gz	XOELHLUGUWFBNE-LBPRGKRZSA-N	1	3	322.413	-1.313	20	0		DAADHO
CC(C)C[C@H](N)C(=O)NCC(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1	ZINC001219831334	780153546	/nfs/dbraw/zinc/15/35/46/780153546.db2.gz	GXULEEZTLMOQCT-NDBYEHHHSA-N	1	3	312.414	-1.031	20	0		DAADHO
N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219833342	780153571	/nfs/dbraw/zinc/15/35/71/780153571.db2.gz	CCQDRARTRBEHJU-CORIIIEPSA-N	1	3	323.397	-1.209	20	0		DAADHO
N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219833347	780153785	/nfs/dbraw/zinc/15/37/85/780153785.db2.gz	CCQDRARTRBEHJU-OSAQELSMSA-N	1	3	323.397	-1.209	20	0		DAADHO
CC(C)(O)[C@H](N)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219834312	780153794	/nfs/dbraw/zinc/15/37/94/780153794.db2.gz	PKTTUIOLBKENPJ-GYSYKLTISA-N	1	3	301.387	-1.404	20	0		DAADHO
O=C(C[C@H]1CNCCO1)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219838027	780154610	/nfs/dbraw/zinc/15/46/10/780154610.db2.gz	NUJJMXKLFBOSTJ-VNHYZAJKSA-N	1	3	313.398	-1.124	20	0		DAADHO
O=C(C[C@H]1CNCCO1)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219838026	780155441	/nfs/dbraw/zinc/15/54/41/780155441.db2.gz	NUJJMXKLFBOSTJ-KCQAQPDRSA-N	1	3	313.398	-1.124	20	0		DAADHO
C[S@](=O)CC[C@H](N)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21	ZINC001219852468	780157686	/nfs/dbraw/zinc/15/76/86/780157686.db2.gz	SMIHLZSFNJMYSL-WAADRCCGSA-N	1	3	303.428	-1.177	20	0		DAADHO
CCn1c(N)c(NC(=O)[C@H](N)CCC[NH3+])c(=O)n(CC)c1=O	ZINC001219971794	780167568	/nfs/dbraw/zinc/16/75/68/780167568.db2.gz	BLEKNGQUDADJOP-MRVPVSSYSA-N	1	3	312.374	-1.363	20	0		DAADHO
COC(=O)C1(NC(=O)[C@@H](N)CCCNC(N)=O)CC[NH2+]CC1	ZINC001219999072	780169368	/nfs/dbraw/zinc/16/93/68/780169368.db2.gz	JNTAKRQAORHVGU-VIFPVBQESA-N	1	3	315.374	-1.826	20	0		DAADHO
CN1CC(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1	ZINC001220013241	780170951	/nfs/dbraw/zinc/17/09/51/780170951.db2.gz	MVXKIYXLEWWRAQ-STQMWFEESA-N	1	3	311.430	-1.136	20	0		DAADHO
CCOC(=O)c1nnc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)o1	ZINC001220011047	780171124	/nfs/dbraw/zinc/17/11/24/780171124.db2.gz	PULARYIXVNTVAD-MRVPVSSYSA-N	1	3	309.326	-1.329	20	0		DAADHO
CS(=O)(=O)N1CC(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1	ZINC001220145587	780185918	/nfs/dbraw/zinc/18/59/18/780185918.db2.gz	HSTSJGZWZDGDJP-LLVKDONJSA-N	1	3	316.427	-1.379	20	0		DAADHO
CS(=O)(=O)N1CC(NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1	ZINC001220145587	780185923	/nfs/dbraw/zinc/18/59/23/780185923.db2.gz	HSTSJGZWZDGDJP-LLVKDONJSA-N	1	3	316.427	-1.379	20	0		DAADHO
C[NH+](C)CCCC[C@H](N)C(=O)NC1CN(S(C)(=O)=O)C1	ZINC001220145687	780187003	/nfs/dbraw/zinc/18/70/03/780187003.db2.gz	MFNKGZPTQRMZSG-NSHDSACASA-N	1	3	306.432	-1.194	20	0		DAADHO
CN(C)S(=O)(=O)CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1	ZINC001220268320	780197329	/nfs/dbraw/zinc/19/73/29/780197329.db2.gz	CZTRKSQBSQGNBN-LLVKDONJSA-N	1	3	318.443	-1.132	20	0		DAADHO
CN(C)S(=O)(=O)CCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1	ZINC001220268320	780197331	/nfs/dbraw/zinc/19/73/31/780197331.db2.gz	CZTRKSQBSQGNBN-LLVKDONJSA-N	1	3	318.443	-1.132	20	0		DAADHO
C[N@@H+]1CCCN(CCNC(=O)[C@H](N)CCCNC(N)=O)CC1	ZINC001220303912	780200437	/nfs/dbraw/zinc/20/04/37/780200437.db2.gz	IUDPNQKOGIFUGN-GFCCVEGCSA-N	1	3	314.434	-1.484	20	0		DAADHO
C[N@H+]1CCCN(CCNC(=O)[C@H](N)CCCNC(N)=O)CC1	ZINC001220303912	780200441	/nfs/dbraw/zinc/20/04/41/780200441.db2.gz	IUDPNQKOGIFUGN-GFCCVEGCSA-N	1	3	314.434	-1.484	20	0		DAADHO
[NH3+]CCNC(=O)/C=C/C(=O)NCc1ncn2c1CNCCC2	ZINC001220311306	780201402	/nfs/dbraw/zinc/20/14/02/780201402.db2.gz	MBZCEPLAZUJUFI-NSCUHMNNSA-N	1	3	306.370	-1.376	20	0		DAADHO
NC(=O)NCCC[C@H](N)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2	ZINC001220315206	780201736	/nfs/dbraw/zinc/20/17/36/780201736.db2.gz	AOAUSPIQEVMWAR-UHIISALHSA-N	1	3	313.402	-1.211	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC(C)(C)CC[NH+](C)C	ZINC001220386043	780209387	/nfs/dbraw/zinc/20/93/87/780209387.db2.gz	HNKOLCRNJRXGMU-UWVGGRQHSA-N	1	3	315.418	-1.460	20	0		DAADHO
COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@H]1C[NH2+]CC12CNC2	ZINC001220514830	780221304	/nfs/dbraw/zinc/22/13/04/780221304.db2.gz	VRKYWTQJBPCKPE-SSDOTTSWSA-N	1	3	307.310	-1.284	20	0		DAADHO
C[C@H](N)C(=O)N[C@H](CCC(=O)NCCN(C)CC[NH3+])C(N)=O	ZINC001220517774	780221757	/nfs/dbraw/zinc/22/17/57/780221757.db2.gz	ZJJVDUGIFJGUEH-VHSXEESVSA-N	1	3	316.406	-2.909	20	0		DAADHO
CCOC(=O)C1=C(NC(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)CCNC1	ZINC001220521373	780223588	/nfs/dbraw/zinc/22/35/88/780223588.db2.gz	FFTHBXYTHZEUFS-LBPRGKRZSA-N	1	3	322.365	-1.609	20	0		DAADHO
CCOC(=O)CN(CC[NH3+])C(=O)CN1CCCC[C@H](N)C1=O	ZINC001220583492	780229958	/nfs/dbraw/zinc/22/99/58/780229958.db2.gz	NCPFIZNHPVFDBY-NSHDSACASA-N	1	3	314.386	-1.323	20	0		DAADHO
CCOC(=O)CN(CC[NH3+])C(=O)CNC(=O)[C@@H](N)[C@@H](C)CC	ZINC001220585385	780232763	/nfs/dbraw/zinc/23/27/63/780232763.db2.gz	JCQQAGHIQDSWLN-GWCFXTLKSA-N	1	3	316.402	-1.174	20	0		DAADHO
COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H]1C[NH2+]CC12CNC2	ZINC001220770495	780247695	/nfs/dbraw/zinc/24/76/95/780247695.db2.gz	XQGIHURZQHMSEE-NWDGAFQWSA-N	1	3	321.381	-1.571	20	0		DAADHO
CCOC(=O)C1=C(NC(=O)[C@@H](N)CC[S@@](C)=O)C[NH2+]C1	ZINC001220829110	780250838	/nfs/dbraw/zinc/25/08/38/780250838.db2.gz	XVDMXTPTIUOALW-GWNMQOMSSA-N	1	3	303.384	-1.381	20	0		DAADHO
C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H](C[NH3+])C(C)(C)C)C(N)=O	ZINC001220860074	780252929	/nfs/dbraw/zinc/25/29/29/780252929.db2.gz	ZLIYTEWWIJZXDM-AEJSXWLSSA-N	1	3	315.418	-1.427	20	0		DAADHO
N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCCN1CCNCC1=O	ZINC001220875088	780255390	/nfs/dbraw/zinc/25/53/90/780255390.db2.gz	SCHBMBQQJOUUBL-LBPRGKRZSA-N	1	3	312.418	-2.715	20	0		DAADHO
N[C@@H](Cc1c[nH]cn1)C(=O)NCCN(CC[NH3+])N(O)N=O	ZINC001220900229	780256096	/nfs/dbraw/zinc/25/60/96/780256096.db2.gz	DUTKBPKKKATMRB-VIFPVBQESA-N	1	3	300.323	-2.056	20	0		DAADHO
O=C(NCCO[C@H]1CC[NH2+]C1)[C@H]1CCS(=O)(=O)C12CNC2	ZINC001220936135	780260855	/nfs/dbraw/zinc/26/08/55/780260855.db2.gz	CVAUDJLNMTXOCZ-WDEREUQCSA-N	1	3	317.411	-1.742	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)n1cc(C[NH3+])cnc1=N	ZINC001220950686	780262775	/nfs/dbraw/zinc/26/27/75/780262775.db2.gz	CHDUFFSISSHHRQ-XPUUQOCRSA-N	1	3	309.330	-2.831	20	0		DAADHO
COCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)[C@@H](O)C1	ZINC001220981297	780266079	/nfs/dbraw/zinc/26/60/79/780266079.db2.gz	OVTJHXOGWQCSJW-MJBXVCDLSA-N	1	3	315.414	-1.238	20	0		DAADHO
COCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)[C@@H](O)C1	ZINC001220981297	780266089	/nfs/dbraw/zinc/26/60/89/780266089.db2.gz	OVTJHXOGWQCSJW-MJBXVCDLSA-N	1	3	315.414	-1.238	20	0		DAADHO
COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]CC23CNC3)CC1	ZINC001221006672	780269563	/nfs/dbraw/zinc/26/95/63/780269563.db2.gz	LDVLDZJWBLPNFS-JHJVBQTASA-N	1	3	324.425	-1.015	20	0		DAADHO
COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CNCc2ccnn2C1	ZINC001221188090	780282273	/nfs/dbraw/zinc/28/22/73/780282273.db2.gz	NPGJIZINGSZXJA-PWSUYJOCSA-N	1	3	309.370	-1.001	20	0		DAADHO
COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](N)CCCNC(N)=O	ZINC001221187637	780282293	/nfs/dbraw/zinc/28/22/93/780282293.db2.gz	CQZZWNIQEQJIGO-IUCAKERBSA-N	1	3	303.363	-1.841	20	0		DAADHO
N[C@@H](CSCC[NH3+])C(=O)NCCN1CCCS1(=O)=O	ZINC001221335576	780291179	/nfs/dbraw/zinc/29/11/79/780291179.db2.gz	IAXOESNJMUVRHN-VIFPVBQESA-N	1	3	310.445	-1.843	20	0		DAADHO
O=C1NCCN(Cc2ccc(N3CC[NH2+]CC3)nc2)C12CNC2	ZINC001235067901	780414596	/nfs/dbraw/zinc/41/45/96/780414596.db2.gz	CFUYEHBJVZFXMB-UHFFFAOYSA-N	1	3	316.409	-1.235	20	0		DAADHO
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(S(=O)(=O)CCN)C[C@H]1C2	ZINC001239110403	780443327	/nfs/dbraw/zinc/44/33/27/780443327.db2.gz	KFUKAWTUGUNLAV-XZUYRWCXSA-N	1	3	317.411	-1.395	20	0		DAADHO
CCOC(=O)CC1(NC[C@H](O)CC2(O)CC[NH2+]CC2)CNC1	ZINC001245995137	780447769	/nfs/dbraw/zinc/44/77/69/780447769.db2.gz	PNNDAQUODXUGGF-GFCCVEGCSA-N	1	3	315.414	-1.263	20	0		DAADHO
COC(=O)[C@@H]1C[C@H](NC[C@@H](O)CC2(O)CC[NH2+]CC2)CN1	ZINC001245981892	780447898	/nfs/dbraw/zinc/44/78/98/780447898.db2.gz	CXHSBMJLTOUJNX-SRVKXCTJSA-N	1	3	301.387	-1.655	20	0		DAADHO
CNC(=O)[C@H](CCCC[NH3+])NC[C@@H](O)CN1CCOCC1	ZINC001246020282	780448010	/nfs/dbraw/zinc/44/80/10/780448010.db2.gz	NTNCPNMAMGSVTO-OLZOCXBDSA-N	1	3	302.419	-1.487	20	0		DAADHO
COC(=O)[C@@H]1C[C@@H](NC[C@H](O)CC2(O)CC[NH2+]CC2)CN1	ZINC001245981894	780448542	/nfs/dbraw/zinc/44/85/42/780448542.db2.gz	CXHSBMJLTOUJNX-UTUOFQBUSA-N	1	3	301.387	-1.655	20	0		DAADHO
COC(=O)[C@H]1C[C@@H](NCCOCCOCCOCC[NH3+])CN1	ZINC001246289181	780453119	/nfs/dbraw/zinc/45/31/19/780453119.db2.gz	NVGSNLHBBJJXKX-CHWSQXEVSA-N	1	3	319.402	-1.512	20	0		DAADHO
O=C([C@@H]1C[C@H](N2CC3(C2)CNCCO3)C[NH2+]1)N1CCSC1	ZINC001246625628	780455749	/nfs/dbraw/zinc/45/57/49/780455749.db2.gz	SXTGIWDDWXTAOR-RYUDHWBXSA-N	1	3	312.439	-1.076	20	0		DAADHO
O=C([C@@H]1C[C@H](N2CCOC3(CNC3)C2)C[NH2+]1)N1CCSC1	ZINC001246617611	780455902	/nfs/dbraw/zinc/45/59/02/780455902.db2.gz	COORYESVCVVKEM-RYUDHWBXSA-N	1	3	312.439	-1.076	20	0		DAADHO
O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1CCO[C@@H]1CC[NH2+]C1)O3	ZINC001247007803	780458013	/nfs/dbraw/zinc/45/80/13/780458013.db2.gz	GDSDNCFOGCWIFY-NDBYEHHHSA-N	1	3	317.411	-1.490	20	0		DAADHO
O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1C[C@H]1C[NH2+]CCCO1)O3	ZINC001247008263	780458397	/nfs/dbraw/zinc/45/83/97/780458397.db2.gz	FZAZODCGSCGSJT-NDBYEHHHSA-N	1	3	317.411	-1.490	20	0		DAADHO
O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CC[NH2+]C[C@H]1F)O3	ZINC001247012881	780459788	/nfs/dbraw/zinc/45/97/88/780459788.db2.gz	UZQABXDVOFQANN-JCIQBVFBSA-N	1	3	305.375	-1.169	20	0		DAADHO
O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1C[NH2+]CCOC1)O3	ZINC001247012928	780459995	/nfs/dbraw/zinc/45/99/95/780459995.db2.gz	VGMBGWFDOAXLKG-USZNOCQGSA-N	1	3	303.384	-1.880	20	0		DAADHO
C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1	ZINC001261821767	780559555	/nfs/dbraw/zinc/55/95/55/780559555.db2.gz	JVXOPJOZXBYXQM-CHWSQXEVSA-N	1	3	313.446	-1.208	20	0		DAADHO
C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1	ZINC001261821769	780560269	/nfs/dbraw/zinc/56/02/69/780560269.db2.gz	JVXOPJOZXBYXQM-QWHCGFSZSA-N	1	3	313.446	-1.208	20	0		DAADHO
C[N@@H+]1CCCN(CCCNCc2cn(CC(N)=O)nn2)CC1	ZINC001262109666	780566612	/nfs/dbraw/zinc/56/66/12/780566612.db2.gz	BKZDEWJZPACHRA-UHFFFAOYSA-N	1	3	309.418	-1.119	20	0		DAADHO
C[N@H+]1CCCN(CCCNCc2cn(CC(N)=O)nn2)CC1	ZINC001262109666	780566619	/nfs/dbraw/zinc/56/66/19/780566619.db2.gz	BKZDEWJZPACHRA-UHFFFAOYSA-N	1	3	309.418	-1.119	20	0		DAADHO
CN(CCOCCNCC(N)=O)C(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001279408543	780621116	/nfs/dbraw/zinc/62/11/16/780621116.db2.gz	FSMZNNBXDLTUGS-CYBMUJFWSA-N	1	3	312.414	-1.122	20	0		DAADHO
CN(CCOCCNCC(N)=O)C(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001279408544	780621857	/nfs/dbraw/zinc/62/18/57/780621857.db2.gz	FSMZNNBXDLTUGS-ZDUSSCGKSA-N	1	3	312.414	-1.122	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)CC[N@H+](C)CC	ZINC001146719295	781420225	/nfs/dbraw/zinc/42/02/25/781420225.db2.gz	OUHXQTTTYPIRKL-UHFFFAOYSA-N	1	3	301.391	-1.120	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)CC[N@@H+](C)CC	ZINC001146719295	781420232	/nfs/dbraw/zinc/42/02/32/781420232.db2.gz	OUHXQTTTYPIRKL-UHFFFAOYSA-N	1	3	301.391	-1.120	20	0		DAADHO
CCS(=O)(=O)NCCNCCNC(=O)COCC[NH+](C)C	ZINC001147891541	781459028	/nfs/dbraw/zinc/45/90/28/781459028.db2.gz	BYEYVNKFFSMKSZ-UHFFFAOYSA-N	1	3	324.447	-1.790	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)NCCNC(=O)C12CC[NH+](CC1)C2	ZINC001148001105	781460953	/nfs/dbraw/zinc/46/09/53/781460953.db2.gz	ZXGCZZXATFMREW-JTQLQIEISA-N	1	3	311.386	-1.368	20	0		DAADHO
COCCCNC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2	ZINC001147976900	781461842	/nfs/dbraw/zinc/46/18/42/781461842.db2.gz	DLZFCQIVQCCWDT-UHFFFAOYSA-N	1	3	312.414	-1.059	20	0		DAADHO
CCC[N@H+](C)CCC(=O)NCCNCCNS(C)(=O)=O	ZINC001148577799	781475846	/nfs/dbraw/zinc/47/58/46/781475846.db2.gz	DMJSDPXLEHIZMS-UHFFFAOYSA-N	1	3	308.448	-1.027	20	0		DAADHO
CCC[N@@H+](C)CCC(=O)NCCNCCNS(C)(=O)=O	ZINC001148577799	781475852	/nfs/dbraw/zinc/47/58/52/781475852.db2.gz	DMJSDPXLEHIZMS-UHFFFAOYSA-N	1	3	308.448	-1.027	20	0		DAADHO
CCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC	ZINC001148656250	781476116	/nfs/dbraw/zinc/47/61/16/781476116.db2.gz	XYRAYTNNVXMITB-SNVBAGLBSA-N	1	3	301.391	-1.122	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC[C@H]2CCOC2)C1	ZINC001151066571	781693681	/nfs/dbraw/zinc/69/36/81/781693681.db2.gz	WMMINEKGYLWNDN-CHWSQXEVSA-N	1	3	312.414	-1.203	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC[C@H]2CCOC2)C1	ZINC001151066571	781693684	/nfs/dbraw/zinc/69/36/84/781693684.db2.gz	WMMINEKGYLWNDN-CHWSQXEVSA-N	1	3	312.414	-1.203	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC[C@@H]2CCOC2)C1	ZINC001151066573	781693716	/nfs/dbraw/zinc/69/37/16/781693716.db2.gz	WMMINEKGYLWNDN-QWHCGFSZSA-N	1	3	312.414	-1.203	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC[C@@H]2CCOC2)C1	ZINC001151066573	781693722	/nfs/dbraw/zinc/69/37/22/781693722.db2.gz	WMMINEKGYLWNDN-QWHCGFSZSA-N	1	3	312.414	-1.203	20	0		DAADHO
CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H](CCO)NC(C)=O	ZINC001182144981	781700297	/nfs/dbraw/zinc/70/02/97/781700297.db2.gz	AGFXMTWQOINBJW-LLVKDONJSA-N	1	3	301.391	-1.063	20	0		DAADHO
CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CCC1	ZINC001183229845	781724439	/nfs/dbraw/zinc/72/44/39/781724439.db2.gz	QDUFYNCERODPPV-SNVBAGLBSA-N	1	3	311.386	-1.144	20	0		DAADHO
C[NH+](C)CC1(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)CC1	ZINC001185230680	781758152	/nfs/dbraw/zinc/75/81/52/781758152.db2.gz	ZQQFAIXANINPBY-SNVBAGLBSA-N	1	3	311.386	-1.286	20	0		DAADHO
C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)C1	ZINC001185659935	781763879	/nfs/dbraw/zinc/76/38/79/781763879.db2.gz	UDVWYKSSTOVOCJ-GHMZBOCLSA-N	1	3	311.386	-1.286	20	0		DAADHO
C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)C1	ZINC001185659935	781763883	/nfs/dbraw/zinc/76/38/83/781763883.db2.gz	UDVWYKSSTOVOCJ-GHMZBOCLSA-N	1	3	311.386	-1.286	20	0		DAADHO
CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1)N(C)C	ZINC001185715316	781765657	/nfs/dbraw/zinc/76/56/57/781765657.db2.gz	ALTCAOPAGFISPE-MNOVXSKESA-N	1	3	313.402	-1.027	20	0		DAADHO
C[NH+](C)CCOCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1	ZINC001187115723	781796164	/nfs/dbraw/zinc/79/61/64/781796164.db2.gz	PRAOJNUXRVYXJY-CYBMUJFWSA-N	1	3	312.414	-1.013	20	0		DAADHO
CN(C)C(=O)CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1	ZINC001187115949	781796470	/nfs/dbraw/zinc/79/64/70/781796470.db2.gz	WGHNTYQPYKACMV-GFCCVEGCSA-N	1	3	300.403	-1.157	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1	ZINC001376917751	921745519	/nfs/dbraw/zinc/74/55/19/921745519.db2.gz	DOKOSAWHRKLWMM-QWRGUYRKSA-N	1	3	311.386	-1.416	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1	ZINC001376917751	921745532	/nfs/dbraw/zinc/74/55/32/921745532.db2.gz	DOKOSAWHRKLWMM-QWRGUYRKSA-N	1	3	311.386	-1.416	20	0		DAADHO
NC(=O)CNCC1(O)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1	ZINC001377347706	921804713	/nfs/dbraw/zinc/80/47/13/921804713.db2.gz	VYDAVLYCIDNWTH-CYBMUJFWSA-N	1	3	324.425	-1.243	20	0		DAADHO
C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H]1CCC(=O)NC1=O	ZINC001317281761	916282678	/nfs/dbraw/zinc/28/26/78/916282678.db2.gz	FMGWTHHDIZYDJZ-GHMZBOCLSA-N	1	3	308.382	-1.018	20	0		DAADHO
C[C@@H]1[C@H](C(=O)N(C)CCNCCNS(C)(=O)=O)CC[N@@H+]1C	ZINC001317589627	916329776	/nfs/dbraw/zinc/32/97/76/916329776.db2.gz	RGIWAZWWDMZVTE-VXGBXAGGSA-N	1	3	320.459	-1.076	20	0		DAADHO
C[C@@H]1[C@H](C(=O)N(C)CCNCCNS(C)(=O)=O)CC[N@H+]1C	ZINC001317589627	916329794	/nfs/dbraw/zinc/32/97/94/916329794.db2.gz	RGIWAZWWDMZVTE-VXGBXAGGSA-N	1	3	320.459	-1.076	20	0		DAADHO
CS(=O)(=O)CCNC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001320297156	916500093	/nfs/dbraw/zinc/50/00/93/916500093.db2.gz	YPHUBTKYEMUPPK-NSHDSACASA-N	1	3	319.427	-1.807	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@](C)(O)C1	ZINC001326993223	916978583	/nfs/dbraw/zinc/97/85/83/916978583.db2.gz	UHLCXBIZPOTIFR-OAHLLOKOSA-N	1	3	314.430	-1.079	20	0		DAADHO
O=C(N[C@H]1CC[NH2+]C1)C(=O)NC1CCN([C@H]2CCOC2)CC1	ZINC001327486011	917019618	/nfs/dbraw/zinc/01/96/18/917019618.db2.gz	KULOCVKERQZXTP-STQMWFEESA-N	1	3	310.398	-1.166	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ncn(C)n1	ZINC001327833176	917045570	/nfs/dbraw/zinc/04/55/70/917045570.db2.gz	DCLVSQLJSBVWOQ-UHFFFAOYSA-N	1	3	311.390	-1.295	20	0		DAADHO
COCCNCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC001329680172	917188790	/nfs/dbraw/zinc/18/87/90/917188790.db2.gz	VNNFVVBPGLBPIZ-TUAOUCFPSA-N	1	3	312.370	-1.384	20	0		DAADHO
[NH3+][C@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1	ZINC001329856271	917206243	/nfs/dbraw/zinc/20/62/43/917206243.db2.gz	OCBIDLDKFUZHJR-AAEUAGOBSA-N	1	3	310.398	-1.085	20	0		DAADHO
CCN1CCN(CCCNC(=O)c2cn(CC[NH3+])nn2)CC1	ZINC001329926433	917212859	/nfs/dbraw/zinc/21/28/59/917212859.db2.gz	SNNQPPCSJPNPBY-UHFFFAOYSA-N	1	3	309.418	-1.006	20	0		DAADHO
[NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1	ZINC001331168205	917283415	/nfs/dbraw/zinc/28/34/15/917283415.db2.gz	QIGJNHHILZPIJQ-YVECIDJPSA-N	1	3	310.398	-1.181	20	0		DAADHO
C[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])CN1CCN(C)CC1	ZINC001333541886	917447352	/nfs/dbraw/zinc/44/73/52/917447352.db2.gz	DXCGFYJGQSMRCG-ZDUSSCGKSA-N	1	3	313.446	-1.207	20	0		DAADHO
[NH3+][C@@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1	ZINC001333566741	917451114	/nfs/dbraw/zinc/45/11/14/917451114.db2.gz	OCBIDLDKFUZHJR-YPMHNXCESA-N	1	3	310.398	-1.085	20	0		DAADHO
CN1CCN(CCCNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1	ZINC001341733725	917764478	/nfs/dbraw/zinc/76/44/78/917764478.db2.gz	RFYTWWPSVJCZRM-ZDUSSCGKSA-N	1	3	323.441	-1.440	20	0		DAADHO
OC[C@@H]1C[C@@H](O)CN1CCOCC[N@@H+]1C[C@H](O)C[C@H]1CO	ZINC001342858339	917792559	/nfs/dbraw/zinc/79/25/59/917792559.db2.gz	FTBMRIUODMQVJI-IGQOVBAYSA-N	1	3	304.387	-2.142	20	0		DAADHO
OC[C@@H]1C[C@@H](O)CN1CCOCC[N@H+]1C[C@H](O)C[C@H]1CO	ZINC001342858339	917792573	/nfs/dbraw/zinc/79/25/73/917792573.db2.gz	FTBMRIUODMQVJI-IGQOVBAYSA-N	1	3	304.387	-2.142	20	0		DAADHO
C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CCCN1CCN(C)CC1	ZINC001347090661	917909517	/nfs/dbraw/zinc/90/95/17/917909517.db2.gz	KJILKUDZEPZXAM-ZDUSSCGKSA-N	1	3	313.446	-1.194	20	0		DAADHO
C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CNCCO2)cn1	ZINC001349625210	918027797	/nfs/dbraw/zinc/02/77/97/918027797.db2.gz	UFLNFACOVXNLKW-LBPRGKRZSA-N	1	3	324.385	-1.512	20	0		DAADHO
COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1	ZINC001353323548	918149274	/nfs/dbraw/zinc/14/92/74/918149274.db2.gz	LWRBXZJIVFEULX-HAQNSBGRSA-N	1	3	300.403	-1.124	20	0		DAADHO
Cn1ccc(=O)n(CCCNC[C@H](O)C[NH+]2CCCC2)c1=O	ZINC001357165115	918273292	/nfs/dbraw/zinc/27/32/92/918273292.db2.gz	CJWQEGVTQDLJRX-ZDUSSCGKSA-N	1	3	310.398	-1.017	20	0		DAADHO
CNC(=O)CN[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1	ZINC001366344667	919312259	/nfs/dbraw/zinc/31/22/59/919312259.db2.gz	MCCAQKHWLKKPMS-NSHDSACASA-N	1	3	300.403	-1.063	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001366339145	919314195	/nfs/dbraw/zinc/31/41/95/919314195.db2.gz	BZDGEORLTAADNR-WDEREUQCSA-N	1	3	313.402	-1.122	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001366339145	919314206	/nfs/dbraw/zinc/31/42/06/919314206.db2.gz	BZDGEORLTAADNR-WDEREUQCSA-N	1	3	313.402	-1.122	20	0		DAADHO
CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1)N(C)C	ZINC001366409226	919327510	/nfs/dbraw/zinc/32/75/10/919327510.db2.gz	XVKFDOWYUHRBSU-GHMZBOCLSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@@H](NCCN(C)C(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O	ZINC001366777374	919380573	/nfs/dbraw/zinc/38/05/73/919380573.db2.gz	XWIGEBZETRRGCO-LLVKDONJSA-N	1	3	310.402	-1.020	20	0		DAADHO
C[C@H](NCCN(C)C(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O	ZINC001366777381	919382716	/nfs/dbraw/zinc/38/27/16/919382716.db2.gz	XWIGEBZETRRGCO-NSHDSACASA-N	1	3	310.402	-1.020	20	0		DAADHO
CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(=O)NC	ZINC001367140965	919437911	/nfs/dbraw/zinc/43/79/11/919437911.db2.gz	OAXMSAUCYTXNAQ-GHMZBOCLSA-N	1	3	313.402	-1.122	20	0		DAADHO
CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(=O)NC	ZINC001367140965	919437924	/nfs/dbraw/zinc/43/79/24/919437924.db2.gz	OAXMSAUCYTXNAQ-GHMZBOCLSA-N	1	3	313.402	-1.122	20	0		DAADHO
CC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(N)=O)N(C)C	ZINC001367262561	919445739	/nfs/dbraw/zinc/44/57/39/919445739.db2.gz	QLNIRJCDNYIXAI-VHSXEESVSA-N	1	3	301.391	-1.137	20	0		DAADHO
CC(C)[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N1CCC1)[NH+](C)C	ZINC001367585473	919493989	/nfs/dbraw/zinc/49/39/89/919493989.db2.gz	FXFVHRRBTSGGMI-JSGCOSHPSA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)[C@H](C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O)[NH+](C)C	ZINC001367598887	919513551	/nfs/dbraw/zinc/51/35/51/919513551.db2.gz	DDQNUPREDJWTGY-GXSJLCMTSA-N	1	3	317.390	-2.166	20	0		DAADHO
C[C@H]1CCN(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)C1	ZINC001367619525	919534303	/nfs/dbraw/zinc/53/43/03/919534303.db2.gz	OJFVHVMMCNVSSA-STQMWFEESA-N	1	3	312.414	-1.373	20	0		DAADHO
NC(=O)NC(=O)CNC[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2	ZINC001368130266	919618571	/nfs/dbraw/zinc/61/85/71/919618571.db2.gz	YLAVCGOLPPHTTM-LLVKDONJSA-N	1	3	323.397	-1.142	20	0		DAADHO
C[C@H]1CN(CCO)CCN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C	ZINC001368266326	919651115	/nfs/dbraw/zinc/65/11/15/919651115.db2.gz	IDEDLZWRMMUSQJ-UONOGXRCSA-N	1	3	313.446	-1.060	20	0		DAADHO
C[C@H]1CN(CCO)CCN1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C	ZINC001368266326	919651122	/nfs/dbraw/zinc/65/11/22/919651122.db2.gz	IDEDLZWRMMUSQJ-UONOGXRCSA-N	1	3	313.446	-1.060	20	0		DAADHO
C[C@@H](NCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O	ZINC001368410913	919719167	/nfs/dbraw/zinc/71/91/67/919719167.db2.gz	ONKUTQIMKAXUKT-NEPJUHHUSA-N	1	3	300.403	-1.388	20	0		DAADHO
C[C@@H](NCCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O	ZINC001368410913	919719181	/nfs/dbraw/zinc/71/91/81/919719181.db2.gz	ONKUTQIMKAXUKT-NEPJUHHUSA-N	1	3	300.403	-1.388	20	0		DAADHO
C[C@H](NC[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1)C(N)=O	ZINC001369478680	919953711	/nfs/dbraw/zinc/95/37/11/919953711.db2.gz	AQOHCHBTQJJAHU-JQWIXIFHSA-N	1	3	300.403	-1.389	20	0		DAADHO
CN(C[C@@H](O)CNCC(N)=O)C(=O)C(C)(C)[NH+]1CCCC1	ZINC001369480265	919954441	/nfs/dbraw/zinc/95/44/41/919954441.db2.gz	WJLZGNZUOAKRGE-NSHDSACASA-N	1	3	300.403	-1.245	20	0		DAADHO
CC(C)[C@@H](C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)[NH+](C)C	ZINC001371435053	920250512	/nfs/dbraw/zinc/25/05/12/920250512.db2.gz	WVOFXOLNMVTTIF-KOLCDFICSA-N	1	3	301.391	-1.138	20	0		DAADHO
C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)NC(N)=O	ZINC001371545047	920285515	/nfs/dbraw/zinc/28/55/15/920285515.db2.gz	VHRTXUAECGXEFG-QWRGUYRKSA-N	1	3	311.386	-1.144	20	0		DAADHO
CCCN(C)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O	ZINC001374674938	920687359	/nfs/dbraw/zinc/68/73/59/920687359.db2.gz	SOAGWDVFCSRURD-NEPJUHHUSA-N	1	3	300.403	-1.327	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)NC(N)=O	ZINC001374685546	920694367	/nfs/dbraw/zinc/69/43/67/920694367.db2.gz	OVCLRQADXRRBBW-VHSXEESVSA-N	1	3	317.390	-2.023	20	0		DAADHO
C[C@H](CNCC(=O)N1CCOCC1)NC(=O)[C@H]1CC[N@H+](C)C1	ZINC001374842413	920718223	/nfs/dbraw/zinc/71/82/23/920718223.db2.gz	LRYYDFQJLHDIMV-OLZOCXBDSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[C@H](CNCC(=O)N1CCOCC1)NC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001374842413	920718236	/nfs/dbraw/zinc/71/82/36/920718236.db2.gz	LRYYDFQJLHDIMV-OLZOCXBDSA-N	1	3	312.414	-1.109	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1	ZINC001374925296	920730718	/nfs/dbraw/zinc/73/07/18/920730718.db2.gz	FERVMJZTFRXKCG-JTQLQIEISA-N	1	3	313.402	-1.122	20	0		DAADHO
CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(N)=O	ZINC001375751132	920805655	/nfs/dbraw/zinc/80/56/55/920805655.db2.gz	RWCMFHLRAWAOGE-QWRGUYRKSA-N	1	3	311.386	-1.144	20	0		DAADHO
CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(N)=O	ZINC001375751133	920806586	/nfs/dbraw/zinc/80/65/86/920806586.db2.gz	RWCMFHLRAWAOGE-WDEREUQCSA-N	1	3	311.386	-1.144	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)N[C@H](C)CNC(=O)CC[NH+](C)C	ZINC001376809031	921035328	/nfs/dbraw/zinc/03/53/28/921035328.db2.gz	KRPTVRYWMQJDNV-NXEZZACHSA-N	1	3	301.391	-1.124	20	0		DAADHO
CC[N@H+](C)CCC(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O	ZINC001377598894	921844543	/nfs/dbraw/zinc/84/45/43/921844543.db2.gz	XJVIDVFRDUJCSH-JTQLQIEISA-N	1	3	301.391	-1.040	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O	ZINC001377598894	921844556	/nfs/dbraw/zinc/84/45/56/921844556.db2.gz	XJVIDVFRDUJCSH-JTQLQIEISA-N	1	3	301.391	-1.040	20	0		DAADHO
CC[N@H+](C)CCC(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O	ZINC001377598897	921844623	/nfs/dbraw/zinc/84/46/23/921844623.db2.gz	XJVIDVFRDUJCSH-SNVBAGLBSA-N	1	3	301.391	-1.040	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O	ZINC001377598897	921844636	/nfs/dbraw/zinc/84/46/36/921844636.db2.gz	XJVIDVFRDUJCSH-SNVBAGLBSA-N	1	3	301.391	-1.040	20	0		DAADHO
CCN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001379208483	922074076	/nfs/dbraw/zinc/07/40/76/922074076.db2.gz	KCYDLCIWWGASOF-JHJVBQTASA-N	1	3	314.430	-1.128	20	0		DAADHO
CCN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001379208483	922074092	/nfs/dbraw/zinc/07/40/92/922074092.db2.gz	KCYDLCIWWGASOF-JHJVBQTASA-N	1	3	314.430	-1.128	20	0		DAADHO
CCN(C)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001379208479	922074193	/nfs/dbraw/zinc/07/41/93/922074193.db2.gz	KCYDLCIWWGASOF-FRRDWIJNSA-N	1	3	314.430	-1.128	20	0		DAADHO
CCN(C)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001379208479	922074209	/nfs/dbraw/zinc/07/42/09/922074209.db2.gz	KCYDLCIWWGASOF-FRRDWIJNSA-N	1	3	314.430	-1.128	20	0		DAADHO
C[C@@H]1CCN(CC(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)C1	ZINC001379241031	922091977	/nfs/dbraw/zinc/09/19/77/922091977.db2.gz	JNHXXRJKYAWZPB-VXGBXAGGSA-N	1	3	300.403	-1.517	20	0		DAADHO
C[C@H]1CCN(CC(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)C1	ZINC001379241028	922093369	/nfs/dbraw/zinc/09/33/69/922093369.db2.gz	JNHXXRJKYAWZPB-NWDGAFQWSA-N	1	3	300.403	-1.517	20	0		DAADHO
C[NH+]1CCC(CC(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)CC1	ZINC001379258429	922100689	/nfs/dbraw/zinc/10/06/89/922100689.db2.gz	PKWHJQDJPIDRGT-CHWSQXEVSA-N	1	3	312.414	-1.327	20	0		DAADHO
CCNC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001379258944	922103621	/nfs/dbraw/zinc/10/36/21/922103621.db2.gz	NHBUDPULMZLTDF-VXGBXAGGSA-N	1	3	300.403	-1.469	20	0		DAADHO
CCNC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001379258944	922103631	/nfs/dbraw/zinc/10/36/31/922103631.db2.gz	NHBUDPULMZLTDF-VXGBXAGGSA-N	1	3	300.403	-1.469	20	0		DAADHO
C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001379357917	922132203	/nfs/dbraw/zinc/13/22/03/922132203.db2.gz	KFAHPEXXBYARJK-MWLCHTKSSA-N	1	3	311.386	-1.383	20	0		DAADHO
CN(C)C1(C(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)CCC1	ZINC001379413980	922163837	/nfs/dbraw/zinc/16/38/37/922163837.db2.gz	SXVICGZGXLTHGW-LBPRGKRZSA-N	1	3	310.402	-1.171	20	0		DAADHO
C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NCCn2cncn2)C1	ZINC001379503892	922207821	/nfs/dbraw/zinc/20/78/21/922207821.db2.gz	JHOIVVJGNMQACZ-QWHCGFSZSA-N	1	3	310.402	-1.313	20	0		DAADHO
C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NCCn2cncn2)C1	ZINC001379503892	922207835	/nfs/dbraw/zinc/20/78/35/922207835.db2.gz	JHOIVVJGNMQACZ-QWHCGFSZSA-N	1	3	310.402	-1.313	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NCCN2CCNC2=O)C1	ZINC001379531315	922219860	/nfs/dbraw/zinc/21/98/60/922219860.db2.gz	VQADKLCGBXZBHO-NWDGAFQWSA-N	1	3	313.402	-1.970	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NCCN2CCNC2=O)C1	ZINC001379531315	922219875	/nfs/dbraw/zinc/21/98/75/922219875.db2.gz	VQADKLCGBXZBHO-NWDGAFQWSA-N	1	3	313.402	-1.970	20	0		DAADHO
CNC(=O)CNC[C@H](C)NC(=O)COC1CC[NH+](C)CC1	ZINC001379568299	922229226	/nfs/dbraw/zinc/22/92/26/922229226.db2.gz	HQUOJZOSFISWFQ-NSHDSACASA-N	1	3	300.403	-1.063	20	0		DAADHO
CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001379601976	922232385	/nfs/dbraw/zinc/23/23/85/922232385.db2.gz	WWIWYBSEDNKWOG-WDEREUQCSA-N	1	3	313.402	-1.122	20	0		DAADHO
CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001379601976	922232400	/nfs/dbraw/zinc/23/24/00/922232400.db2.gz	WWIWYBSEDNKWOG-WDEREUQCSA-N	1	3	313.402	-1.122	20	0		DAADHO
CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1	ZINC001379785715	922259771	/nfs/dbraw/zinc/25/97/71/922259771.db2.gz	BHJJFQMENNSNGK-LBPRGKRZSA-N	1	3	314.430	-1.032	20	0		DAADHO
CN(C[C@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C	ZINC001379846973	922280107	/nfs/dbraw/zinc/28/01/07/922280107.db2.gz	XVECVBLMXGJTOZ-VXGBXAGGSA-N	1	3	300.403	-1.422	20	0		DAADHO
C[C@@]1(C[NH2+]CC(=O)NC(N)=O)CCN(C(=O)Cc2c[nH]cn2)C1	ZINC001380417729	922358574	/nfs/dbraw/zinc/35/85/74/922358574.db2.gz	BWFXSZOMWCHELC-AWEZNQCLSA-N	1	3	322.369	-1.025	20	0		DAADHO
C[N@@H+]1CC[C@@H](CC(=O)N(CCO)CCN[C@H]2CCNC2=O)C1	ZINC001380774129	922457004	/nfs/dbraw/zinc/45/70/04/922457004.db2.gz	NZPUGFLSMHYUKS-STQMWFEESA-N	1	3	312.414	-1.373	20	0		DAADHO
C[N@H+]1CC[C@@H](CC(=O)N(CCO)CCN[C@H]2CCNC2=O)C1	ZINC001380774129	922457017	/nfs/dbraw/zinc/45/70/17/922457017.db2.gz	NZPUGFLSMHYUKS-STQMWFEESA-N	1	3	312.414	-1.373	20	0		DAADHO
C[N@@H+]1CC[C@H](CC(=O)N(CCO)CCN[C@@H]2CCNC2=O)C1	ZINC001380773929	922457419	/nfs/dbraw/zinc/45/74/19/922457419.db2.gz	NZPUGFLSMHYUKS-CHWSQXEVSA-N	1	3	312.414	-1.373	20	0		DAADHO
C[N@H+]1CC[C@H](CC(=O)N(CCO)CCN[C@@H]2CCNC2=O)C1	ZINC001380773929	922457428	/nfs/dbraw/zinc/45/74/28/922457428.db2.gz	NZPUGFLSMHYUKS-CHWSQXEVSA-N	1	3	312.414	-1.373	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)N(CCO)CCN[C@H]2CCCNC2=O)C1	ZINC001380774438	922458319	/nfs/dbraw/zinc/45/83/19/922458319.db2.gz	PKQOCYARZOYMTH-STQMWFEESA-N	1	3	312.414	-1.373	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)N(CCO)CCN[C@H]2CCCNC2=O)C1	ZINC001380774438	922458326	/nfs/dbraw/zinc/45/83/26/922458326.db2.gz	PKQOCYARZOYMTH-STQMWFEESA-N	1	3	312.414	-1.373	20	0		DAADHO
CC(C)[C@H](C(=O)N1CCO[C@H](CNCC(N)=O)C1)[NH+](C)C	ZINC001380913075	922473512	/nfs/dbraw/zinc/47/35/12/922473512.db2.gz	NYYVRHYBDPQSOF-DGCLKSJQSA-N	1	3	300.403	-1.125	20	0		DAADHO
CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1	ZINC001380917038	922476455	/nfs/dbraw/zinc/47/64/55/922476455.db2.gz	XPMXNVCOOMVGAP-ZIAGYGMSSA-N	1	3	324.425	-1.109	20	0		DAADHO
CNC(=O)CNCC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1	ZINC001381168124	922506871	/nfs/dbraw/zinc/50/68/71/922506871.db2.gz	LYCWHGIOFSUXTR-LBPRGKRZSA-N	1	3	312.414	-1.373	20	0		DAADHO
CNC(=O)CNCC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1	ZINC001381168124	922506879	/nfs/dbraw/zinc/50/68/79/922506879.db2.gz	LYCWHGIOFSUXTR-LBPRGKRZSA-N	1	3	312.414	-1.373	20	0		DAADHO
CC[C@H](C(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1)N(C)C	ZINC001381157905	922506931	/nfs/dbraw/zinc/50/69/31/922506931.db2.gz	WCBYZFPDFWXXIH-LLVKDONJSA-N	1	3	300.403	-1.245	20	0		DAADHO
Cn1ccc(CN[C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1=O	ZINC001382276841	922662936	/nfs/dbraw/zinc/66/29/36/922662936.db2.gz	YYUFGAPHEJOMLR-KBPBESRZSA-N	1	3	322.409	-1.096	20	0		DAADHO
Cn1ccc(CN[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1=O	ZINC001382276841	922662946	/nfs/dbraw/zinc/66/29/46/922662946.db2.gz	YYUFGAPHEJOMLR-KBPBESRZSA-N	1	3	322.409	-1.096	20	0		DAADHO
Cn1ccc(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1=O	ZINC001382276843	922663197	/nfs/dbraw/zinc/66/31/97/922663197.db2.gz	YYUFGAPHEJOMLR-KGLIPLIRSA-N	1	3	322.409	-1.096	20	0		DAADHO
Cn1ccc(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1=O	ZINC001382276843	922663204	/nfs/dbraw/zinc/66/32/04/922663204.db2.gz	YYUFGAPHEJOMLR-KGLIPLIRSA-N	1	3	322.409	-1.096	20	0		DAADHO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)CNCC(=O)NC)CC[N@@H+]1C	ZINC001382404189	922725952	/nfs/dbraw/zinc/72/59/52/922725952.db2.gz	ZWTCQGQPHLZSMG-FRRDWIJNSA-N	1	3	314.430	-1.128	20	0		DAADHO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)CNCC(=O)NC)CC[N@H+]1C	ZINC001382404189	922725961	/nfs/dbraw/zinc/72/59/61/922725961.db2.gz	ZWTCQGQPHLZSMG-FRRDWIJNSA-N	1	3	314.430	-1.128	20	0		DAADHO
CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)C1CC[NH+](C)CC1	ZINC001382414405	922734953	/nfs/dbraw/zinc/73/49/53/922734953.db2.gz	OMURVKCIIVAEFB-QWHCGFSZSA-N	1	3	312.414	-1.374	20	0		DAADHO
CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC(N)=O)N(C)C	ZINC001382433659	922748881	/nfs/dbraw/zinc/74/88/81/922748881.db2.gz	LKBKFFOTESUWTO-NXEZZACHSA-N	1	3	317.390	-2.070	20	0		DAADHO
CC(C)N(C)CC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001383923156	922976866	/nfs/dbraw/zinc/97/68/66/922976866.db2.gz	CYXSRMOEKCMFHF-STQMWFEESA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)N(C)CC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001383923156	922976881	/nfs/dbraw/zinc/97/68/81/922976881.db2.gz	CYXSRMOEKCMFHF-STQMWFEESA-N	1	3	314.430	-1.128	20	0		DAADHO
CCCN(C)CC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001383926284	922979962	/nfs/dbraw/zinc/97/99/62/922979962.db2.gz	KVTSIMYJUPCUCI-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
CCCN(C)CC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001383926284	922979972	/nfs/dbraw/zinc/97/99/72/922979972.db2.gz	KVTSIMYJUPCUCI-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(CC)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O	ZINC001384008291	923020939	/nfs/dbraw/zinc/02/09/39/923020939.db2.gz	NIAMDBHPGUTHBY-CHWSQXEVSA-N	1	3	314.430	-1.032	20	0		DAADHO
CCCN(C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001389095909	923550887	/nfs/dbraw/zinc/55/08/87/923550887.db2.gz	ILJQNSUBLGZGPZ-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
CCCN(C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001389095909	923550903	/nfs/dbraw/zinc/55/09/03/923550903.db2.gz	ILJQNSUBLGZGPZ-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(CC)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001392099932	923933876	/nfs/dbraw/zinc/93/38/76/923933876.db2.gz	QYHQNFCFXYXZNX-OLZOCXBDSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(CC)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001392099932	923933894	/nfs/dbraw/zinc/93/38/94/923933894.db2.gz	QYHQNFCFXYXZNX-OLZOCXBDSA-N	1	3	314.430	-1.127	20	0		DAADHO
O=C(CNC[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N1CCC1	ZINC001392374419	923985096	/nfs/dbraw/zinc/98/50/96/923985096.db2.gz	KBAXTHJKPKXBLG-ZIAGYGMSSA-N	1	3	324.425	-1.373	20	0		DAADHO
CN(C)C(=O)CNC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1	ZINC001392389998	924004215	/nfs/dbraw/zinc/00/42/15/924004215.db2.gz	FXWRNQJFUFKHQA-GFCCVEGCSA-N	1	3	300.403	-1.517	20	0		DAADHO
C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N(C)C)CC[N@@H+]1C	ZINC001392396741	924009653	/nfs/dbraw/zinc/00/96/53/924009653.db2.gz	UBVPIYAMRUNUTQ-AVGNSLFASA-N	1	3	314.430	-1.128	20	0		DAADHO
C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N(C)C)CC[N@H+]1C	ZINC001392396741	924009666	/nfs/dbraw/zinc/00/96/66/924009666.db2.gz	UBVPIYAMRUNUTQ-AVGNSLFASA-N	1	3	314.430	-1.128	20	0		DAADHO
C[NH+](C)CCC(=O)NC[C@H](O)CNCC(=O)N1CCCC1	ZINC001392396198	924010165	/nfs/dbraw/zinc/01/01/65/924010165.db2.gz	UUAUALQFRIIQAL-GFCCVEGCSA-N	1	3	300.403	-1.373	20	0		DAADHO
CNC(=O)CNC[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1	ZINC001392408621	924015657	/nfs/dbraw/zinc/01/56/57/924015657.db2.gz	LQCQMSSAPNQCDV-GFCCVEGCSA-N	1	3	300.403	-1.469	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001392429981	924031999	/nfs/dbraw/zinc/03/19/99/924031999.db2.gz	SQOFDDYVAFBNAI-ZJUUUORDSA-N	1	3	315.374	-2.540	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001392429981	924032008	/nfs/dbraw/zinc/03/20/08/924032008.db2.gz	SQOFDDYVAFBNAI-ZJUUUORDSA-N	1	3	315.374	-2.540	20	0		DAADHO
COC[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1	ZINC001393283883	924156843	/nfs/dbraw/zinc/15/68/43/924156843.db2.gz	TVVYMRJYOUBZHY-UKRRQHHQSA-N	1	3	317.430	-1.113	20	0		DAADHO
COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1	ZINC001393283883	924156850	/nfs/dbraw/zinc/15/68/50/924156850.db2.gz	TVVYMRJYOUBZHY-UKRRQHHQSA-N	1	3	317.430	-1.113	20	0		DAADHO
C[C@@H]([NH2+]C1CCN(CCNC(=O)Cc2cnc[nH]2)CC1)C(N)=O	ZINC001393423626	924197286	/nfs/dbraw/zinc/19/72/86/924197286.db2.gz	BCQAEUNZEHGNTC-LLVKDONJSA-N	1	3	322.413	-1.004	20	0		DAADHO
NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1	ZINC001393575464	924227653	/nfs/dbraw/zinc/22/76/53/924227653.db2.gz	DCQDRIKINCFHPA-OLZOCXBDSA-N	1	3	310.398	-1.370	20	0		DAADHO
COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1	ZINC001393590148	924234668	/nfs/dbraw/zinc/23/46/68/924234668.db2.gz	NOCDNVDOINUQPG-OLZOCXBDSA-N	1	3	312.370	-1.224	20	0		DAADHO
COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1	ZINC001393590136	924235381	/nfs/dbraw/zinc/23/53/81/924235381.db2.gz	NOCDNVDOINUQPG-CHWSQXEVSA-N	1	3	312.370	-1.224	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H](C)[C@H](C)NC(=O)CC[NH+](C)C	ZINC001393964125	924271051	/nfs/dbraw/zinc/27/10/51/924271051.db2.gz	BQBYGYDZCGSBGF-ZJUUUORDSA-N	1	3	301.391	-1.124	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C	ZINC001393964118	924271438	/nfs/dbraw/zinc/27/14/38/924271438.db2.gz	BQBYGYDZCGSBGF-UWVGGRQHSA-N	1	3	301.391	-1.124	20	0		DAADHO
C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC(N)=O	ZINC001394472421	924304358	/nfs/dbraw/zinc/30/43/58/924304358.db2.gz	AWBAZYRUOBVFKM-HBNTYKKESA-N	1	3	313.402	-1.042	20	0		DAADHO
C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC(N)=O	ZINC001394472421	924304364	/nfs/dbraw/zinc/30/43/64/924304364.db2.gz	AWBAZYRUOBVFKM-HBNTYKKESA-N	1	3	313.402	-1.042	20	0		DAADHO
C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1)C(N)=O	ZINC001394745529	924373990	/nfs/dbraw/zinc/37/39/90/924373990.db2.gz	WWLIPIZKGJESHU-QWRGUYRKSA-N	1	3	300.403	-1.247	20	0		DAADHO
CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)C1)N(C)C	ZINC001398526576	924647182	/nfs/dbraw/zinc/64/71/82/924647182.db2.gz	ALTCAOPAGFISPE-WDEREUQCSA-N	1	3	313.402	-1.027	20	0		DAADHO
CC[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)NC(=O)NC	ZINC001400868213	924833337	/nfs/dbraw/zinc/83/33/37/924833337.db2.gz	XIBHNOPGPQYWKL-SNVBAGLBSA-N	1	3	301.391	-1.122	20	0		DAADHO
CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001401518991	924874584	/nfs/dbraw/zinc/87/45/84/924874584.db2.gz	YNKWTJJGRZFFDN-FRRDWIJNSA-N	1	3	314.430	-1.081	20	0		DAADHO
CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC	ZINC001401518991	924874592	/nfs/dbraw/zinc/87/45/92/924874592.db2.gz	YNKWTJJGRZFFDN-FRRDWIJNSA-N	1	3	314.430	-1.081	20	0		DAADHO
CNC(=O)CNC[C@H](O)CNC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001401536780	924876945	/nfs/dbraw/zinc/87/69/45/924876945.db2.gz	IZOVHRAKZJYOGG-RYUDHWBXSA-N	1	3	300.403	-1.327	20	0		DAADHO
CNC(=O)CNC[C@H](O)CNC(=O)CC[C@@H]1CCC[N@H+]1C	ZINC001401536780	924876951	/nfs/dbraw/zinc/87/69/51/924876951.db2.gz	IZOVHRAKZJYOGG-RYUDHWBXSA-N	1	3	300.403	-1.327	20	0		DAADHO
CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O	ZINC001401560282	924889890	/nfs/dbraw/zinc/88/98/90/924889890.db2.gz	NKTMNKIWMKSGTM-RYUDHWBXSA-N	1	3	300.403	-1.199	20	0		DAADHO
CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O	ZINC001401560264	924891154	/nfs/dbraw/zinc/89/11/54/924891154.db2.gz	NKTMNKIWMKSGTM-NWDGAFQWSA-N	1	3	300.403	-1.199	20	0		DAADHO
CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@H](O)CNCC(N)=O)C1	ZINC001401563100	924891963	/nfs/dbraw/zinc/89/19/63/924891963.db2.gz	VMHHJXMEZIUNOL-QMTHXVAHSA-N	1	3	318.393	-1.249	20	0		DAADHO
CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@H](O)CNCC(N)=O)C1	ZINC001401563100	924891966	/nfs/dbraw/zinc/89/19/66/924891966.db2.gz	VMHHJXMEZIUNOL-QMTHXVAHSA-N	1	3	318.393	-1.249	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)CC[NH+](C)C	ZINC001401563520	924892168	/nfs/dbraw/zinc/89/21/68/924892168.db2.gz	UIMMFRLVWQGNDY-SECBINFHSA-N	1	3	303.363	-2.540	20	0		DAADHO
CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)CN1CC[C@@H](C)C1	ZINC001401562057	924893247	/nfs/dbraw/zinc/89/32/47/924893247.db2.gz	TZWZQGIFXUHRIG-OLZOCXBDSA-N	1	3	314.430	-1.081	20	0		DAADHO
CN1CC[C@@H](NC[C@@H](O)CNC(=O)C2(C[NH+](C)C)CC2)C1=O	ZINC001401575069	924899234	/nfs/dbraw/zinc/89/92/34/924899234.db2.gz	RLCCZINSQGDGKN-VXGBXAGGSA-N	1	3	312.414	-1.374	20	0		DAADHO
C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNCC(=O)NC2CC2)C1	ZINC001401581485	924901021	/nfs/dbraw/zinc/90/10/21/924901021.db2.gz	KZPDWQYWHJTDBR-AAEUAGOBSA-N	1	3	312.414	-1.327	20	0		DAADHO
C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNCC(=O)NC2CC2)C1	ZINC001401581485	924901028	/nfs/dbraw/zinc/90/10/28/924901028.db2.gz	KZPDWQYWHJTDBR-AAEUAGOBSA-N	1	3	312.414	-1.327	20	0		DAADHO
CNC(=O)[C@@H](C)N1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1	ZINC001402292856	924965808	/nfs/dbraw/zinc/96/58/08/924965808.db2.gz	ODBGZSAWBXFCCQ-IUODEOHRSA-N	1	3	312.414	-1.230	20	0		DAADHO
CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(N)=O	ZINC001403624184	925090596	/nfs/dbraw/zinc/09/05/96/925090596.db2.gz	OEMMXEHRMCDPFT-JTQLQIEISA-N	1	3	301.391	-1.042	20	0		DAADHO
C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCc1nc(=O)n(C)[nH]1	ZINC001403627302	925092113	/nfs/dbraw/zinc/09/21/13/925092113.db2.gz	JBJDJTWOHYVIIW-WDEREUQCSA-N	1	3	310.402	-1.003	20	0		DAADHO
C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCc1nc(=O)n(C)[nH]1	ZINC001403627302	925092118	/nfs/dbraw/zinc/09/21/18/925092118.db2.gz	JBJDJTWOHYVIIW-WDEREUQCSA-N	1	3	310.402	-1.003	20	0		DAADHO
CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2	ZINC001403875087	925159334	/nfs/dbraw/zinc/15/93/34/925159334.db2.gz	FFMOORGYOVQJHY-NWDGAFQWSA-N	1	3	312.414	-1.374	20	0		DAADHO
CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)CN(C)C(C)C	ZINC001403873017	925160745	/nfs/dbraw/zinc/16/07/45/925160745.db2.gz	FFMPZQDORUBMGG-NEPJUHHUSA-N	1	3	302.419	-1.130	20	0		DAADHO
NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1	ZINC001406253166	925376824	/nfs/dbraw/zinc/37/68/24/925376824.db2.gz	WYIQAIKVWOCZOA-QWHCGFSZSA-N	1	3	312.414	-1.055	20	0		DAADHO
NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1	ZINC001406253166	925376835	/nfs/dbraw/zinc/37/68/35/925376835.db2.gz	WYIQAIKVWOCZOA-QWHCGFSZSA-N	1	3	312.414	-1.055	20	0		DAADHO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNCC(N)=O	ZINC001406254106	925379621	/nfs/dbraw/zinc/37/96/21/925379621.db2.gz	MTPBUGGENQRIQU-NEPJUHHUSA-N	1	3	300.403	-1.341	20	0		DAADHO
CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNCC(N)=O	ZINC001406254106	925379632	/nfs/dbraw/zinc/37/96/32/925379632.db2.gz	MTPBUGGENQRIQU-NEPJUHHUSA-N	1	3	300.403	-1.341	20	0		DAADHO
CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1	ZINC001406263863	925383403	/nfs/dbraw/zinc/38/34/03/925383403.db2.gz	FZDHGAQQLVCJQJ-GHMZBOCLSA-N	1	3	300.403	-1.471	20	0		DAADHO
CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1	ZINC001406266536	925385132	/nfs/dbraw/zinc/38/51/32/925385132.db2.gz	MOYKTODHLJFZON-WCQYABFASA-N	1	3	314.430	-1.081	20	0		DAADHO
C[NH+](C)CCCC(=O)NC[C@@H](O)CN[C@H]1CCCNC1=O	ZINC001406275743	925390664	/nfs/dbraw/zinc/39/06/64/925390664.db2.gz	VNMCMBUVIGHZTD-RYUDHWBXSA-N	1	3	300.403	-1.327	20	0		DAADHO
CC(C)N(C)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001406284160	925394452	/nfs/dbraw/zinc/39/44/52/925394452.db2.gz	JXZQMMNUQONPGP-OLZOCXBDSA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)N(C)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001406284160	925394457	/nfs/dbraw/zinc/39/44/57/925394457.db2.gz	JXZQMMNUQONPGP-OLZOCXBDSA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)N(C)C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001406284148	925395031	/nfs/dbraw/zinc/39/50/31/925395031.db2.gz	JXZQMMNUQONPGP-CHWSQXEVSA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)N(C)C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001406284148	925395036	/nfs/dbraw/zinc/39/50/36/925395036.db2.gz	JXZQMMNUQONPGP-CHWSQXEVSA-N	1	3	314.430	-1.128	20	0		DAADHO
CNC(=O)CNC[C@H](O)CNC(=O)C1CC[NH+](C(C)C)CC1	ZINC001406297092	925399715	/nfs/dbraw/zinc/39/97/15/925399715.db2.gz	ZMWFJFRIRGPHDU-ZDUSSCGKSA-N	1	3	314.430	-1.081	20	0		DAADHO
C[C@@H](NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C	ZINC001407664478	925516165	/nfs/dbraw/zinc/51/61/65/925516165.db2.gz	COEAOVUFSLMRBV-CHWSQXEVSA-N	1	3	314.430	-1.175	20	0		DAADHO
C[C@@H](NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C	ZINC001407664478	925516168	/nfs/dbraw/zinc/51/61/68/925516168.db2.gz	COEAOVUFSLMRBV-CHWSQXEVSA-N	1	3	314.430	-1.175	20	0		DAADHO
C[C@H](NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C	ZINC001407664495	925516700	/nfs/dbraw/zinc/51/67/00/925516700.db2.gz	COEAOVUFSLMRBV-QWHCGFSZSA-N	1	3	314.430	-1.175	20	0		DAADHO
C[C@H](NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C	ZINC001407664495	925516708	/nfs/dbraw/zinc/51/67/08/925516708.db2.gz	COEAOVUFSLMRBV-QWHCGFSZSA-N	1	3	314.430	-1.175	20	0		DAADHO
C[NH+]1CCC(C(=O)N(CCO)CCN[C@H]2CCNC2=O)CC1	ZINC001407669861	925516936	/nfs/dbraw/zinc/51/69/36/925516936.db2.gz	XRWARPQHKNSRKE-ZDUSSCGKSA-N	1	3	312.414	-1.373	20	0		DAADHO
CN1CCC[C@H](NCCN(CCO)C(=O)CC[NH+](C)C)C1=O	ZINC001407664409	925517522	/nfs/dbraw/zinc/51/75/22/925517522.db2.gz	RIWBALWEXDIPNU-ZDUSSCGKSA-N	1	3	314.430	-1.031	20	0		DAADHO
CN1CCCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1	ZINC001408147392	925550767	/nfs/dbraw/zinc/55/07/67/925550767.db2.gz	WGSSZLCYAHESDE-LBPRGKRZSA-N	1	3	312.414	-1.101	20	0		DAADHO
C[C@@H](CN(C)C(=O)CCC[NH+](C)C)NCC(=O)NC(N)=O	ZINC001410429545	925718986	/nfs/dbraw/zinc/71/89/86/925718986.db2.gz	DFVNHSPVJAVGGC-JTQLQIEISA-N	1	3	301.391	-1.040	20	0		DAADHO
C[NH+](C)CCC(=O)NC[C@H](CO)NC[C@@H]1CCS(=O)(=O)C1	ZINC001410735363	925769173	/nfs/dbraw/zinc/76/91/73/925769173.db2.gz	SKBWXXBCKYRMOF-NWDGAFQWSA-N	1	3	321.443	-1.561	20	0		DAADHO
C[NH+](C)CCC(=O)NC[C@@H](CO)NC[C@H]1CCS(=O)(=O)C1	ZINC001410735361	925770254	/nfs/dbraw/zinc/77/02/54/925770254.db2.gz	SKBWXXBCKYRMOF-NEPJUHHUSA-N	1	3	321.443	-1.561	20	0		DAADHO
C[NH+](C)CCC(=O)NC[C@@H](CO)NC[C@@H]1CCS(=O)(=O)C1	ZINC001410735365	925771537	/nfs/dbraw/zinc/77/15/37/925771537.db2.gz	SKBWXXBCKYRMOF-RYUDHWBXSA-N	1	3	321.443	-1.561	20	0		DAADHO
C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)CN(C)C1CCC1)C(N)=O	ZINC001411036814	925803453	/nfs/dbraw/zinc/80/34/53/925803453.db2.gz	BSRREHCTTIDDBF-ZYHUDNBSSA-N	1	3	300.403	-1.247	20	0		DAADHO
CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)C1(C[NH+](C)C)CC1	ZINC001411101630	925814257	/nfs/dbraw/zinc/81/42/57/925814257.db2.gz	WREWPZCUXRJTGT-VXGBXAGGSA-N	1	3	312.414	-1.374	20	0		DAADHO
Cc1nc(CNC[C@@H](O)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)n[nH]1	ZINC001411129599	925814984	/nfs/dbraw/zinc/81/49/84/925814984.db2.gz	RTXBJBXYILOQRR-NWDGAFQWSA-N	1	3	310.402	-1.026	20	0		DAADHO
Cc1nc(CNC[C@@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1	ZINC001411129599	925814992	/nfs/dbraw/zinc/81/49/92/925814992.db2.gz	RTXBJBXYILOQRR-NWDGAFQWSA-N	1	3	310.402	-1.026	20	0		DAADHO
Cc1nc(CNC[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1	ZINC001411129590	925816231	/nfs/dbraw/zinc/81/62/31/925816231.db2.gz	RTXBJBXYILOQRR-NEPJUHHUSA-N	1	3	310.402	-1.026	20	0		DAADHO
Cc1nc(CNC[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1	ZINC001411129590	925816238	/nfs/dbraw/zinc/81/62/38/925816238.db2.gz	RTXBJBXYILOQRR-NEPJUHHUSA-N	1	3	310.402	-1.026	20	0		DAADHO
Cc1nc(CNC[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1	ZINC001411129623	925816742	/nfs/dbraw/zinc/81/67/42/925816742.db2.gz	RTXBJBXYILOQRR-VXGBXAGGSA-N	1	3	310.402	-1.026	20	0		DAADHO
Cc1nc(CNC[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1	ZINC001411129623	925816745	/nfs/dbraw/zinc/81/67/45/925816745.db2.gz	RTXBJBXYILOQRR-VXGBXAGGSA-N	1	3	310.402	-1.026	20	0		DAADHO
CN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001418330329	926383366	/nfs/dbraw/zinc/38/33/66/926383366.db2.gz	LBNGPWBBCVNUIB-QWRGUYRKSA-N	1	3	311.386	-1.144	20	0		DAADHO
CN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001419367949	926473392	/nfs/dbraw/zinc/47/33/92/926473392.db2.gz	LBNGPWBBCVNUIB-WDEREUQCSA-N	1	3	311.386	-1.144	20	0		DAADHO
CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)CN(C)C1CCC1	ZINC001420138621	926538530	/nfs/dbraw/zinc/53/85/30/926538530.db2.gz	LWORUSBRGTUGPT-CMPLNLGQSA-N	1	3	300.403	-1.328	20	0		DAADHO
CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)CN(C)C1CCC1	ZINC001420138630	926540071	/nfs/dbraw/zinc/54/00/71/926540071.db2.gz	LWORUSBRGTUGPT-PWSUYJOCSA-N	1	3	300.403	-1.328	20	0		DAADHO
O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)C12CCC[NH+](CCC1)C2	ZINC001420139820	926540333	/nfs/dbraw/zinc/54/03/33/926540333.db2.gz	BZTJJNFPNYZMGP-STQMWFEESA-N	1	3	324.425	-1.182	20	0		DAADHO
O=C(NC[C@H](O)CN[C@H]1CCNC1=O)C12CCC[NH+](CCC1)C2	ZINC001420139814	926540679	/nfs/dbraw/zinc/54/06/79/926540679.db2.gz	BZTJJNFPNYZMGP-OLZOCXBDSA-N	1	3	324.425	-1.182	20	0		DAADHO
CN1CC[C@H](NC[C@@H](O)CNC(=O)C23CCC[NH+]2CCC3)C1=O	ZINC001420150668	926543718	/nfs/dbraw/zinc/54/37/18/926543718.db2.gz	GJMGXCXEZPUMBD-OLZOCXBDSA-N	1	3	324.425	-1.088	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)CC[NH+](C)C	ZINC001420153293	926543841	/nfs/dbraw/zinc/54/38/41/926543841.db2.gz	ZYMDJNHKUSJWEJ-NXEZZACHSA-N	1	3	317.390	-2.151	20	0		DAADHO
CN1CC[C@H](NC[C@H](O)CNC(=O)C23CCC[NH+]2CCC3)C1=O	ZINC001420150690	926544638	/nfs/dbraw/zinc/54/46/38/926544638.db2.gz	GJMGXCXEZPUMBD-STQMWFEESA-N	1	3	324.425	-1.088	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)NC[C@H](O)CNC(=O)CC[NH+](C)C	ZINC001420153366	926544672	/nfs/dbraw/zinc/54/46/72/926544672.db2.gz	ZYMDJNHKUSJWEJ-ZJUUUORDSA-N	1	3	317.390	-2.151	20	0		DAADHO
CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(=O)NC)N(C)C	ZINC001420161283	926546648	/nfs/dbraw/zinc/54/66/48/926546648.db2.gz	VZMPHBUWAYLAJV-VHSXEESVSA-N	1	3	317.390	-2.151	20	0		DAADHO
CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(=O)NC)N(C)C	ZINC001420161280	926546977	/nfs/dbraw/zinc/54/69/77/926546977.db2.gz	VZMPHBUWAYLAJV-NXEZZACHSA-N	1	3	317.390	-2.151	20	0		DAADHO
CN(C)C(=O)CNC[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2	ZINC001420163376	926548702	/nfs/dbraw/zinc/54/87/02/926548702.db2.gz	WECFQSNFHCWJGP-GFCCVEGCSA-N	1	3	312.414	-1.230	20	0		DAADHO
O=C(CC[NH+]1CCCCC1)NC[C@@H](O)CN[C@@H]1CCNC1=O	ZINC001420221535	926568776	/nfs/dbraw/zinc/56/87/76/926568776.db2.gz	YAFSYCZFMDXZGM-QWHCGFSZSA-N	1	3	312.414	-1.182	20	0		DAADHO
CCCN(C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(=O)NC	ZINC001420501988	926596951	/nfs/dbraw/zinc/59/69/51/926596951.db2.gz	NQVLHAMULAYYHV-JTQLQIEISA-N	1	3	301.391	-1.122	20	0		DAADHO
O=C([C@H]1C[NH+]2CCC1CC2)N(CCO)CCN[C@@H]1CCNC1=O	ZINC001421639065	926740056	/nfs/dbraw/zinc/74/00/56/926740056.db2.gz	VNRGLNDCTMSHGV-UONOGXRCSA-N	1	3	324.425	-1.373	20	0		DAADHO
CNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001421801767	926758047	/nfs/dbraw/zinc/75/80/47/926758047.db2.gz	KRCMBHUPOSEGJO-NWDGAFQWSA-N	1	3	300.403	-1.110	20	0		DAADHO
C[C@@H](NC[C@H](C)N(C)C(=O)CC[NH+](C)C)C(=O)NC(N)=O	ZINC001421936952	926774250	/nfs/dbraw/zinc/77/42/50/926774250.db2.gz	QKPXDWXBYLRCRD-VHSXEESVSA-N	1	3	301.391	-1.042	20	0		DAADHO
C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)C1(C[NH+](C)C)CC1	ZINC001421951609	926774527	/nfs/dbraw/zinc/77/45/27/926774527.db2.gz	WJZIFKKJEUAHLF-SNVBAGLBSA-N	1	3	313.402	-1.040	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)CC[NH+](C)C	ZINC001421941100	926775252	/nfs/dbraw/zinc/77/52/52/926775252.db2.gz	UXLUNAVQCQIFAJ-JTQLQIEISA-N	1	3	301.391	-1.170	20	0		DAADHO
C[NH+](C)CCC(=O)N1CCC(O)(CN[C@@H]2CCNC2=O)CC1	ZINC001422104317	926789573	/nfs/dbraw/zinc/78/95/73/926789573.db2.gz	SQRYSQZSODQRQA-GFCCVEGCSA-N	1	3	312.414	-1.230	20	0		DAADHO
CCCN(C)CC(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1	ZINC001422109992	926790683	/nfs/dbraw/zinc/79/06/83/926790683.db2.gz	XKQSFQIATXCVRC-UHFFFAOYSA-N	1	3	300.403	-1.243	20	0		DAADHO
C[NH+](C)CCC(=O)N1CCC(O)(CN[C@H]2CCNC2=O)CC1	ZINC001422104319	926791281	/nfs/dbraw/zinc/79/12/81/926791281.db2.gz	SQRYSQZSODQRQA-LBPRGKRZSA-N	1	3	312.414	-1.230	20	0		DAADHO
C[C@H](NC[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O	ZINC001422333079	926834073	/nfs/dbraw/zinc/83/40/73/926834073.db2.gz	AFEZEMPBAUXMTI-RYUDHWBXSA-N	1	3	312.414	-1.197	20	0		DAADHO
CCN1CC[C@@H](NC[C@@H](O)CNC(=O)CC[NH+](C)C)C1=O	ZINC001422345368	926840225	/nfs/dbraw/zinc/84/02/25/926840225.db2.gz	JIPMLBGWBJJIGJ-VXGBXAGGSA-N	1	3	300.403	-1.374	20	0		DAADHO
CCN1CC[C@@H](NC[C@H](O)CNC(=O)CC[NH+](C)C)C1=O	ZINC001422345128	926842246	/nfs/dbraw/zinc/84/22/46/926842246.db2.gz	JIPMLBGWBJJIGJ-NWDGAFQWSA-N	1	3	300.403	-1.374	20	0		DAADHO
CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CN1CC[C@H](C)C1	ZINC001422366417	926851820	/nfs/dbraw/zinc/85/18/20/926851820.db2.gz	ZQLKDLWZXTUZTE-NWDGAFQWSA-N	1	3	300.403	-1.469	20	0		DAADHO
CN(CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O)CC(C)(C)C	ZINC001422362415	926852924	/nfs/dbraw/zinc/85/29/24/926852924.db2.gz	PEHQRMKCFPXRSZ-NWDGAFQWSA-N	1	3	314.430	-1.081	20	0		DAADHO
CC[N@H+](C)CCC(=O)NC[C@@H](O)CN[C@@H]1CCCNC1=O	ZINC001422379126	926854704	/nfs/dbraw/zinc/85/47/04/926854704.db2.gz	KHKNKYWJBSFOFA-NWDGAFQWSA-N	1	3	300.403	-1.327	20	0		DAADHO
CC[N@@H+](C)CCC(=O)NC[C@@H](O)CN[C@@H]1CCCNC1=O	ZINC001422379126	926854718	/nfs/dbraw/zinc/85/47/18/926854718.db2.gz	KHKNKYWJBSFOFA-NWDGAFQWSA-N	1	3	300.403	-1.327	20	0		DAADHO
CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C)N(C)C	ZINC001423447862	927056213	/nfs/dbraw/zinc/05/62/13/927056213.db2.gz	TYYVDIDWFGMXQL-NWDGAFQWSA-N	1	3	302.419	-1.176	20	0		DAADHO
CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCNC1=O	ZINC001423492667	927075993	/nfs/dbraw/zinc/07/59/93/927075993.db2.gz	IGILOQFQGDQZFS-NEPJUHHUSA-N	1	3	300.403	-1.376	20	0		DAADHO
C[C@H](NCCN(CCO)C(=O)C12CCC[NH+]1CCC2)C(N)=O	ZINC001424040385	927186098	/nfs/dbraw/zinc/18/60/98/927186098.db2.gz	FGSMVGFZWMBVLJ-LBPRGKRZSA-N	1	3	312.414	-1.101	20	0		DAADHO
CN1CC[C@@H](NCCN(CCO)C(=O)[C@@H]2CC[N@H+](C)C2)C1=O	ZINC001424049045	927189521	/nfs/dbraw/zinc/18/95/21/927189521.db2.gz	JNDQYBARKHXFLC-CHWSQXEVSA-N	1	3	312.414	-1.421	20	0		DAADHO
CN1CC[C@@H](NCCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)C2)C1=O	ZINC001424049045	927189534	/nfs/dbraw/zinc/18/95/34/927189534.db2.gz	JNDQYBARKHXFLC-CHWSQXEVSA-N	1	3	312.414	-1.421	20	0		DAADHO
CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1	ZINC001424244821	927214679	/nfs/dbraw/zinc/21/46/79/927214679.db2.gz	VELAQTGKWMTCNS-OLZOCXBDSA-N	1	3	312.414	-1.109	20	0		DAADHO
CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1	ZINC001424244821	927214682	/nfs/dbraw/zinc/21/46/82/927214682.db2.gz	VELAQTGKWMTCNS-OLZOCXBDSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[N@@H+]1CC[C@@H](CC(=O)N2CCC(O)(CNCC(N)=O)CC2)C1	ZINC001424544875	927241468	/nfs/dbraw/zinc/24/14/68/927241468.db2.gz	AQTAUDKGLHXDKT-LBPRGKRZSA-N	1	3	312.414	-1.243	20	0		DAADHO
C[N@H+]1CC[C@@H](CC(=O)N2CCC(O)(CNCC(N)=O)CC2)C1	ZINC001424544875	927241484	/nfs/dbraw/zinc/24/14/84/927241484.db2.gz	AQTAUDKGLHXDKT-LBPRGKRZSA-N	1	3	312.414	-1.243	20	0		DAADHO
CNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCN2C)CC1	ZINC001424543019	927243111	/nfs/dbraw/zinc/24/31/11/927243111.db2.gz	DFFWTNWZSSPCMU-LBPRGKRZSA-N	1	3	312.414	-1.230	20	0		DAADHO
C[N@@H+]1CC[C@H](CC(=O)N2CCC(O)(CNCC(N)=O)CC2)C1	ZINC001424544869	927243474	/nfs/dbraw/zinc/24/34/74/927243474.db2.gz	AQTAUDKGLHXDKT-GFCCVEGCSA-N	1	3	312.414	-1.243	20	0		DAADHO
C[N@H+]1CC[C@H](CC(=O)N2CCC(O)(CNCC(N)=O)CC2)C1	ZINC001424544869	927243485	/nfs/dbraw/zinc/24/34/85/927243485.db2.gz	AQTAUDKGLHXDKT-GFCCVEGCSA-N	1	3	312.414	-1.243	20	0		DAADHO
C[C@@H](NC[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O	ZINC001426001349	927500024	/nfs/dbraw/zinc/50/00/24/927500024.db2.gz	PZBXRTOGRRYAGC-VXGBXAGGSA-N	1	3	312.414	-1.103	20	0		DAADHO
CN(C[C@H](O)CN[C@H]1CCN(C)C1=O)C(=O)CCC[NH+](C)C	ZINC001426020772	927504707	/nfs/dbraw/zinc/50/47/07/927504707.db2.gz	DEJNUYUCZASOEK-OLZOCXBDSA-N	1	3	314.430	-1.032	20	0		DAADHO
CN(C[C@H](O)CNCC(=O)NC(N)=O)C(=O)CC[NH+](C)C	ZINC001426021730	927507886	/nfs/dbraw/zinc/50/78/86/927507886.db2.gz	FUBUXSGLXVBAJH-SECBINFHSA-N	1	3	303.363	-2.458	20	0		DAADHO
CCN1CC[C@H](NC[C@@H](O)CN(C)C(=O)CC[NH+](C)C)C1=O	ZINC001426025447	927509318	/nfs/dbraw/zinc/50/93/18/927509318.db2.gz	JKZYHFNLXUFCGT-OLZOCXBDSA-N	1	3	314.430	-1.032	20	0		DAADHO
CCN1CC[C@H](NC[C@H](O)CN(C)C(=O)CC[NH+](C)C)C1=O	ZINC001426025452	927509445	/nfs/dbraw/zinc/50/94/45/927509445.db2.gz	JKZYHFNLXUFCGT-STQMWFEESA-N	1	3	314.430	-1.032	20	0		DAADHO
CCCN(C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O	ZINC001428800070	927811211	/nfs/dbraw/zinc/81/12/11/927811211.db2.gz	OGSSVBUWRCJYCZ-CHWSQXEVSA-N	1	3	314.430	-1.032	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001431536986	928054038	/nfs/dbraw/zinc/05/40/38/928054038.db2.gz	DHLKVKVFVVUCFR-CHWSQXEVSA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001431536986	928054052	/nfs/dbraw/zinc/05/40/52/928054052.db2.gz	DHLKVKVFVVUCFR-CHWSQXEVSA-N	1	3	314.430	-1.128	20	0		DAADHO
C[NH+](C)CCN1C[C@H](C(=O)N2CC(N[C@H]3CCOC3)C2)CC1=O	ZINC001434384451	928344470	/nfs/dbraw/zinc/34/44/70/928344470.db2.gz	COBANMUCSRNKBZ-OLZOCXBDSA-N	1	3	324.425	-1.014	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)CN(C)C(C)C	ZINC001437259135	928439981	/nfs/dbraw/zinc/43/99/81/928439981.db2.gz	FBGWULHVQVWQCH-SNVBAGLBSA-N	1	3	301.391	-1.124	20	0		DAADHO
C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CCN(CC(N)=O)C1	ZINC001437745772	928475515	/nfs/dbraw/zinc/47/55/15/928475515.db2.gz	UXSSEPAIIFQAPC-CHWSQXEVSA-N	1	3	312.414	-1.122	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1	ZINC001438717701	928534952	/nfs/dbraw/zinc/53/49/52/928534952.db2.gz	DDZNWBWRCYJESR-LLVKDONJSA-N	1	3	313.402	-1.026	20	0		DAADHO
CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O)CCC1	ZINC001439009424	928572877	/nfs/dbraw/zinc/57/28/77/928572877.db2.gz	ZARBHNNATVQZIH-VIFPVBQESA-N	1	3	315.374	-2.268	20	0		DAADHO
CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+]CC(=O)NC)C1	ZINC001440368948	928717499	/nfs/dbraw/zinc/71/74/99/928717499.db2.gz	IOQLGZMUVYCPME-LBPRGKRZSA-N	1	3	300.403	-1.109	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCCN2CCCC2=O)C1	ZINC001441795141	928866157	/nfs/dbraw/zinc/86/61/57/928866157.db2.gz	OBOGEWYVDFBLDN-OLZOCXBDSA-N	1	3	312.414	-1.373	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCCN2CCCC2=O)C1	ZINC001441795141	928866168	/nfs/dbraw/zinc/86/61/68/928866168.db2.gz	OBOGEWYVDFBLDN-OLZOCXBDSA-N	1	3	312.414	-1.373	20	0		DAADHO
C[C@H]1C[C@@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)CC[N@@H+]1C	ZINC001442001102	928905558	/nfs/dbraw/zinc/90/55/58/928905558.db2.gz	WVMXJUYMTUEVCA-SRVKXCTJSA-N	1	3	300.403	-1.389	20	0		DAADHO
C[C@H]1C[C@@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)CC[N@H+]1C	ZINC001442001102	928905571	/nfs/dbraw/zinc/90/55/71/928905571.db2.gz	WVMXJUYMTUEVCA-SRVKXCTJSA-N	1	3	300.403	-1.389	20	0		DAADHO
C[C@H]1C[C@@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)CC[N@@H+]1C	ZINC001442001098	928906314	/nfs/dbraw/zinc/90/63/14/928906314.db2.gz	WVMXJUYMTUEVCA-SDDRHHMPSA-N	1	3	300.403	-1.389	20	0		DAADHO
C[C@H]1C[C@@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)CC[N@H+]1C	ZINC001442001098	928906318	/nfs/dbraw/zinc/90/63/18/928906318.db2.gz	WVMXJUYMTUEVCA-SDDRHHMPSA-N	1	3	300.403	-1.389	20	0		DAADHO
CN(C[C@H](O)CNCC(=O)NC1CC1)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001442025895	928908392	/nfs/dbraw/zinc/90/83/92/928908392.db2.gz	AZCTYZOVAULXQW-WCQYABFASA-N	1	3	312.414	-1.374	20	0		DAADHO
CN(C[C@H](O)CNCC(=O)NC1CC1)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001442025895	928908402	/nfs/dbraw/zinc/90/84/02/928908402.db2.gz	AZCTYZOVAULXQW-WCQYABFASA-N	1	3	312.414	-1.374	20	0		DAADHO
CCCN(C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O	ZINC001442026542	928910226	/nfs/dbraw/zinc/91/02/26/928910226.db2.gz	UYBPDQYODFTNQF-STQMWFEESA-N	1	3	314.430	-1.032	20	0		DAADHO
CCCN(C)CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O	ZINC001442026536	928911444	/nfs/dbraw/zinc/91/14/44/928911444.db2.gz	UYBPDQYODFTNQF-CHWSQXEVSA-N	1	3	314.430	-1.032	20	0		DAADHO
C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)C1CC[NH+](C)CC1	ZINC001444661132	929141736	/nfs/dbraw/zinc/14/17/36/929141736.db2.gz	COEWWQNXXHIJDF-JTQLQIEISA-N	1	3	313.402	-1.040	20	0		DAADHO
CC(C)[C@H](C(=O)NC[C@H](O)CNCC(=O)N1CCC1)[NH+](C)C	ZINC001445222250	929191447	/nfs/dbraw/zinc/19/14/47/929191447.db2.gz	FXFVHRRBTSGGMI-TZMCWYRMSA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)NC(=O)CNC[C@H](O)CNC(=O)C1CC[NH+](C)CC1	ZINC001445223226	929191475	/nfs/dbraw/zinc/19/14/75/929191475.db2.gz	HQUCKSKBMKLOMQ-ZDUSSCGKSA-N	1	3	314.430	-1.081	20	0		DAADHO
CN(C(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1	ZINC001445270135	929205876	/nfs/dbraw/zinc/20/58/76/929205876.db2.gz	LUBAIWUXNNANCE-WCQYABFASA-N	1	3	312.414	-1.374	20	0		DAADHO
CN(C(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1	ZINC001445270135	929205888	/nfs/dbraw/zinc/20/58/88/929205888.db2.gz	LUBAIWUXNNANCE-WCQYABFASA-N	1	3	312.414	-1.374	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCC(=O)NC(C)(C)C)C1	ZINC001445264895	929207342	/nfs/dbraw/zinc/20/73/42/929207342.db2.gz	GHQVEZGHDLIYMK-VXGBXAGGSA-N	1	3	314.430	-1.081	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCC(=O)NC(C)(C)C)C1	ZINC001445264895	929207354	/nfs/dbraw/zinc/20/73/54/929207354.db2.gz	GHQVEZGHDLIYMK-VXGBXAGGSA-N	1	3	314.430	-1.081	20	0		DAADHO
CN(C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1	ZINC001445270134	929207837	/nfs/dbraw/zinc/20/78/37/929207837.db2.gz	LUBAIWUXNNANCE-DGCLKSJQSA-N	1	3	312.414	-1.374	20	0		DAADHO
CN(C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1	ZINC001445270134	929207844	/nfs/dbraw/zinc/20/78/44/929207844.db2.gz	LUBAIWUXNNANCE-DGCLKSJQSA-N	1	3	312.414	-1.374	20	0		DAADHO
CCN(C)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001445278018	929211136	/nfs/dbraw/zinc/21/11/36/929211136.db2.gz	WZQIIKYRVKHIKW-NEPJUHHUSA-N	1	3	300.403	-1.517	20	0		DAADHO
CCN(C)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001445278018	929211147	/nfs/dbraw/zinc/21/11/47/929211147.db2.gz	WZQIIKYRVKHIKW-NEPJUHHUSA-N	1	3	300.403	-1.517	20	0		DAADHO
CC[C@H](C(=O)NC[C@@]1(O)CC[N@H+](C[C@H](O)COC)C1)N(C)C	ZINC001446766628	929316387	/nfs/dbraw/zinc/31/63/87/929316387.db2.gz	WYOLADNTPZJCPR-GUTXKFCHSA-N	1	3	317.430	-1.113	20	0		DAADHO
CC[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](O)COC)C1)N(C)C	ZINC001446766628	929316392	/nfs/dbraw/zinc/31/63/92/929316392.db2.gz	WYOLADNTPZJCPR-GUTXKFCHSA-N	1	3	317.430	-1.113	20	0		DAADHO
CC[C@H](C(=O)NC[C@]1(O)CC[N@H+](C[C@H](O)COC)C1)N(C)C	ZINC001446766630	929317384	/nfs/dbraw/zinc/31/73/84/929317384.db2.gz	WYOLADNTPZJCPR-GZBFAFLISA-N	1	3	317.430	-1.113	20	0		DAADHO
CC[C@H](C(=O)NC[C@]1(O)CC[N@@H+](C[C@H](O)COC)C1)N(C)C	ZINC001446766630	929317388	/nfs/dbraw/zinc/31/73/88/929317388.db2.gz	WYOLADNTPZJCPR-GZBFAFLISA-N	1	3	317.430	-1.113	20	0		DAADHO
C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O	ZINC001446974280	929356647	/nfs/dbraw/zinc/35/66/47/929356647.db2.gz	QQBRGKCLDMXASD-ZJUUUORDSA-N	1	3	322.369	-1.169	20	0		DAADHO
CNC(=O)CN[C@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001448461737	929454503	/nfs/dbraw/zinc/45/45/03/929454503.db2.gz	ROOLADHEMIVYFM-NEPJUHHUSA-N	1	3	300.403	-1.110	20	0		DAADHO
C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)NCC(=O)NC(N)=O	ZINC001448727320	929467211	/nfs/dbraw/zinc/46/72/11/929467211.db2.gz	OIYZAQYTDKFHBR-GHMZBOCLSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NCC(=O)NC(N)=O	ZINC001448727320	929467217	/nfs/dbraw/zinc/46/72/17/929467217.db2.gz	OIYZAQYTDKFHBR-GHMZBOCLSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@H](CN(C)C(=O)CC[NH+](C)C)N[C@@H](C)C(=O)NC(N)=O	ZINC001448726929	929467986	/nfs/dbraw/zinc/46/79/86/929467986.db2.gz	ZKAYVNJNFJLBOO-ZJUUUORDSA-N	1	3	301.391	-1.042	20	0		DAADHO
CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001449141850	929551862	/nfs/dbraw/zinc/55/18/62/929551862.db2.gz	AEERDURIMZCUII-YPMHNXCESA-N	1	3	314.430	-1.128	20	0		DAADHO
C[C@H](NC[C@H](O)CN(C)C(=O)CC[NH+](C)C)C(=O)N(C)C	ZINC001449148421	929553834	/nfs/dbraw/zinc/55/38/34/929553834.db2.gz	TVZNXBUPEKXMJQ-RYUDHWBXSA-N	1	3	302.419	-1.176	20	0		DAADHO
CN(CCn1cncn1)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001449250286	929576648	/nfs/dbraw/zinc/57/66/48/929576648.db2.gz	WMHVMPHJEVCRGL-KGLIPLIRSA-N	1	3	324.429	-1.019	20	0		DAADHO
CN(CCn1cncn1)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001449250286	929576660	/nfs/dbraw/zinc/57/66/60/929576660.db2.gz	WMHVMPHJEVCRGL-KGLIPLIRSA-N	1	3	324.429	-1.019	20	0		DAADHO
CN(C)CCN1C[C@@H](C(=O)N2NC(=O)C[C@@]23CC[NH2+]C3)CC1=O	ZINC001548578760	930031243	/nfs/dbraw/zinc/03/12/43/930031243.db2.gz	MDALBMITDYEIOC-XHDPSFHLSA-N	1	3	323.397	-1.608	20	0		DAADHO
N[C@@H]1C[C@H]2CN(C(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)CCN2C1=O	ZINC001552376086	930073083	/nfs/dbraw/zinc/07/30/83/930073083.db2.gz	OPYCCNBUWWPDOF-JBLDHEPKSA-N	1	3	318.381	-1.129	20	0		DAADHO
CN1CC[C@@]2(C(=O)NCC(=O)N3CCNCC3)C[NH2+]C[C@H]2C1	ZINC001553349157	930074047	/nfs/dbraw/zinc/07/40/47/930074047.db2.gz	CXCSUQDKTCXDQU-SWLSCSKDSA-N	1	3	309.414	-1.924	20	0		DAADHO
CN1CC[C@@]2(C(=O)NCC(=O)N3CCNCC3)C[NH2+]C[C@@H]2C1	ZINC001553349156	930075263	/nfs/dbraw/zinc/07/52/63/930075263.db2.gz	CXCSUQDKTCXDQU-IUODEOHRSA-N	1	3	309.414	-1.924	20	0		DAADHO
COCCN(CCN(C)C)C(=O)C(=O)N1CC2CC1(C[NH3+])C2	ZINC000662929378	545648520	/nfs/dbraw/zinc/64/85/20/545648520.db2.gz	ACCVNONNTWXEGZ-UHFFFAOYSA-N	1	3	312.414	-1.027	20	0		DAADHO
C[NH2+]C[C@H](C)NC(=O)C(=O)N(CCN(C)C)CCN(C)C	ZINC000659755211	545763959	/nfs/dbraw/zinc/76/39/59/545763959.db2.gz	JHQQKPYZNXNDRY-LBPRGKRZSA-N	1	3	301.435	-1.338	20	0		DAADHO
C[N@H+](CCNC(=O)C(=O)N(CCN)CCO)C1CCCC1	ZINC000419692098	545767634	/nfs/dbraw/zinc/76/76/34/545767634.db2.gz	FUTVLHIFCKRHCA-UHFFFAOYSA-N	1	3	300.403	-1.243	20	0		DAADHO
C[N@@H+](CCNC(=O)C(=O)N(CCN)CCO)C1CCCC1	ZINC000419692098	545767637	/nfs/dbraw/zinc/76/76/37/545767637.db2.gz	FUTVLHIFCKRHCA-UHFFFAOYSA-N	1	3	300.403	-1.243	20	0		DAADHO
CC1CCN(CCNC(=O)C(=O)N(CC[NH3+])CCO)CC1	ZINC000419401062	545767825	/nfs/dbraw/zinc/76/78/25/545767825.db2.gz	AJGQRWHDTLYJOM-UHFFFAOYSA-N	1	3	300.403	-1.386	20	0		DAADHO
C[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CC1	ZINC000569624906	372872396	/nfs/dbraw/zinc/87/23/96/372872396.db2.gz	AEBNBQPLBGUXSC-NWDGAFQWSA-N	1	3	323.397	-2.033	20	0		DAADHO
C[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CC1	ZINC000569624906	372872400	/nfs/dbraw/zinc/87/24/00/372872400.db2.gz	AEBNBQPLBGUXSC-NWDGAFQWSA-N	1	3	323.397	-2.033	20	0		DAADHO
N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3C[NH2+]CCC3(F)F)CCN2C1=O	ZINC000565249783	372916476	/nfs/dbraw/zinc/91/64/76/372916476.db2.gz	IHKTZFYXUHBYKV-IVZWLZJFSA-N	1	3	317.340	-1.063	20	0		DAADHO
N[C@@H]1C[C@H]2CN(C(=O)CN3CCCC[C@@H]([NH3+])C3=O)CCN2C1=O	ZINC000594878118	372993085	/nfs/dbraw/zinc/99/30/85/372993085.db2.gz	NCSQZFQBUVHXEP-QJPTWQEYSA-N	1	3	323.397	-1.903	20	0		DAADHO
COC(=O)CC[C@@H](N)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C	ZINC000595969129	373006403	/nfs/dbraw/zinc/00/64/03/373006403.db2.gz	BIBGMNXEIYUSFC-LLVKDONJSA-N	1	3	316.402	-1.255	20	0		DAADHO
CN(CC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1	ZINC000595983532	373008535	/nfs/dbraw/zinc/00/85/35/373008535.db2.gz	DPOZOTAWDIJVER-MNOVXSKESA-N	1	3	311.386	-2.223	20	0		DAADHO
COC[C@]1(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCCC[NH2+]1	ZINC000602528639	373062662	/nfs/dbraw/zinc/06/26/62/373062662.db2.gz	SEVFLMYRLAJAFU-ZOWXZIJZSA-N	1	3	310.398	-1.085	20	0		DAADHO
Cn1cnc2c1c(=O)n(CCC[N@H+](C)C[C@H](O)CN)c(=O)n2C	ZINC000563216340	373114595	/nfs/dbraw/zinc/11/45/95/373114595.db2.gz	YXTZEWNEDRENSW-SNVBAGLBSA-N	1	3	324.385	-1.925	20	0		DAADHO
Cn1cnc2c1c(=O)n(CCC[N@@H+](C)C[C@H](O)CN)c(=O)n2C	ZINC000563216340	373114602	/nfs/dbraw/zinc/11/46/02/373114602.db2.gz	YXTZEWNEDRENSW-SNVBAGLBSA-N	1	3	324.385	-1.925	20	0		DAADHO
C[C@@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)CCN(C)C	ZINC000563661569	373139226	/nfs/dbraw/zinc/13/92/26/373139226.db2.gz	ZYOAMUCSZIKPRM-LBPRGKRZSA-N	1	3	301.435	-1.208	20	0		DAADHO
CN1CCN(C[C@@H](O)C[NH2+][C@@H](CO)CN2CCCC2)CC1	ZINC000571283806	373142272	/nfs/dbraw/zinc/14/22/72/373142272.db2.gz	FLYFIRINFVCIBA-CABCVRRESA-N	1	3	300.447	-1.359	20	0		DAADHO
O[C@@H]1CN(Cc2ccc(C[N@H+]3C[C@@H](O)[C@@H](O)C3)cc2)C[C@@H]1O	ZINC000278708289	373190571	/nfs/dbraw/zinc/19/05/71/373190571.db2.gz	KBDWGVGZJWIHMF-GEEKYZPCSA-N	1	3	308.378	-1.239	20	0		DAADHO
O[C@@H]1CN(Cc2ccc(C[N@@H+]3C[C@@H](O)[C@@H](O)C3)cc2)C[C@@H]1O	ZINC000278708289	373190576	/nfs/dbraw/zinc/19/05/76/373190576.db2.gz	KBDWGVGZJWIHMF-GEEKYZPCSA-N	1	3	308.378	-1.239	20	0		DAADHO
[NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1	ZINC000638097111	373208256	/nfs/dbraw/zinc/20/82/56/373208256.db2.gz	AKBJJCMWKSHJER-OCCSQVGLSA-N	1	3	310.398	-1.131	20	0		DAADHO
C[NH2+]CCOCCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1	ZINC000638577644	373232801	/nfs/dbraw/zinc/23/28/01/373232801.db2.gz	BKFZUAJQUBIHBQ-GFCCVEGCSA-N	1	3	300.403	-1.251	20	0		DAADHO
C[C@H](CN1CCCCC1)NC(=O)C(=O)N(CC[NH3+])CCO	ZINC000419421487	373321297	/nfs/dbraw/zinc/32/12/97/373321297.db2.gz	LJMBPSUVVDYRFW-GFCCVEGCSA-N	1	3	300.403	-1.243	20	0		DAADHO
CC(C)Nc1nc(NCCO)nc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)n1	ZINC000420253379	373323708	/nfs/dbraw/zinc/32/37/08/373323708.db2.gz	DLRNCFSPSYSABA-NEPJUHHUSA-N	1	3	321.429	-1.014	20	0		DAADHO
CN(C)CCN(CCN(C)C)C(=O)C(=O)NC[C@H]([NH3+])C1CC1	ZINC000572826629	373331437	/nfs/dbraw/zinc/33/14/37/373331437.db2.gz	WEZRHUOAFPIKJH-ZDUSSCGKSA-N	1	3	313.446	-1.208	20	0		DAADHO
CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N(C)CC[NH3+]	ZINC000423218141	373344392	/nfs/dbraw/zinc/34/43/92/373344392.db2.gz	VBTKZJQFHJBEIQ-LBPRGKRZSA-N	1	3	300.403	-1.027	20	0		DAADHO
CN(C)[C@H]1CCCN(C(=O)C(=O)N(C)CCOCC[NH3+])C1	ZINC000629796724	373407312	/nfs/dbraw/zinc/40/73/12/373407312.db2.gz	SAMXNIDLXJKFNO-LBPRGKRZSA-N	1	3	300.403	-1.027	20	0		DAADHO
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(C)C[C@H]1CN	ZINC000642114152	373437153	/nfs/dbraw/zinc/43/71/53/373437153.db2.gz	GQYBLMQTELEUSP-CHWSQXEVSA-N	1	3	313.446	-1.066	20	0		DAADHO
CN(C)CCN1C[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)CC1=O	ZINC000152722935	373513688	/nfs/dbraw/zinc/51/36/88/373513688.db2.gz	GVOISBDZHXEOEK-SWLSCSKDSA-N	1	3	314.430	-1.175	20	0		DAADHO
C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C1	ZINC000567645089	373536079	/nfs/dbraw/zinc/53/60/79/373536079.db2.gz	HIBFDGZRISDXEL-CYBMUJFWSA-N	1	3	313.446	-1.242	20	0		DAADHO
CC[NH+]1CCC(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1	ZINC000578884363	373586606	/nfs/dbraw/zinc/58/66/06/373586606.db2.gz	LMIKOTFGWYIIKS-KGLIPLIRSA-N	1	3	323.441	-1.169	20	0		DAADHO
CC[NH+]1CCC(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1	ZINC000578884365	373586889	/nfs/dbraw/zinc/58/68/89/373586889.db2.gz	LMIKOTFGWYIIKS-ZIAGYGMSSA-N	1	3	323.441	-1.169	20	0		DAADHO
C[NH+](C)CCOCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1	ZINC000578788032	373586930	/nfs/dbraw/zinc/58/69/30/373586930.db2.gz	ILNOSQQRKMXDHV-VXGBXAGGSA-N	1	3	313.402	-1.482	20	0		DAADHO
CN(C)CCN1C[C@@H](C(=O)NC[C@H]2C[NH2+]CCCO2)CC1=O	ZINC000567982294	373539419	/nfs/dbraw/zinc/53/94/19/373539419.db2.gz	UKMVEHSCFGKVBR-QWHCGFSZSA-N	1	3	312.414	-1.109	20	0		DAADHO
O=C(COC1CNC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000572719551	373548800	/nfs/dbraw/zinc/54/88/00/373548800.db2.gz	ARAFJQLEDJNXGA-SNVBAGLBSA-N	1	3	310.320	-1.073	20	0		DAADHO
C[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C[C@H](O)CN	ZINC000579957513	373594922	/nfs/dbraw/zinc/59/49/22/373594922.db2.gz	CNNWSSZOBKJORZ-CYBMUJFWSA-N	1	3	322.413	-1.233	20	0		DAADHO
C[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C[C@H](O)CN	ZINC000579957513	373594926	/nfs/dbraw/zinc/59/49/26/373594926.db2.gz	CNNWSSZOBKJORZ-CYBMUJFWSA-N	1	3	322.413	-1.233	20	0		DAADHO
COc1cnccc1N1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1	ZINC000574428369	373562172	/nfs/dbraw/zinc/56/21/72/373562172.db2.gz	HXUOFGDFFHGSIM-UHFFFAOYSA-N	1	3	319.365	-1.173	20	0		DAADHO
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC2CNC2)CC1	ZINC000577047952	373575049	/nfs/dbraw/zinc/57/50/49/373575049.db2.gz	ACYSOFVYANFYQG-AWEZNQCLSA-N	1	3	323.441	-1.297	20	0		DAADHO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC2CNC2)CC1	ZINC000577047952	373575063	/nfs/dbraw/zinc/57/50/63/373575063.db2.gz	ACYSOFVYANFYQG-AWEZNQCLSA-N	1	3	323.441	-1.297	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCn1ccnc1	ZINC000581897726	373604444	/nfs/dbraw/zinc/60/44/44/373604444.db2.gz	OUESYFZWVFGLMP-UHFFFAOYSA-N	1	3	324.429	-1.049	20	0		DAADHO
C[NH+]1CCC(CNc2nc(N)nc(N)n2)(N2CCOCC2)CC1	ZINC000624275308	373667773	/nfs/dbraw/zinc/66/77/73/373667773.db2.gz	SNWNEFZAUAPOQF-UHFFFAOYSA-N	1	3	322.417	-1.673	20	0		DAADHO
C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2COCCN2)C1	ZINC000627357849	373669758	/nfs/dbraw/zinc/66/97/58/373669758.db2.gz	SFLKSILMRYXMJG-STQMWFEESA-N	1	3	312.414	-1.061	20	0		DAADHO
CC(C)Nc1nc(NCCO)nc(NC[C@@H](C)C[NH+](C)C)n1	ZINC000488980190	545793502	/nfs/dbraw/zinc/79/35/02/545793502.db2.gz	LXLRCCJWPLIELB-LLVKDONJSA-N	1	3	311.434	-1.029	20	0		DAADHO
C[C@@H]1CC[C@H](NC(=O)C(=O)NCCOCCN(C)C)C[NH2+]1	ZINC000627394127	545828894	/nfs/dbraw/zinc/82/88/94/545828894.db2.gz	XWRUYKMAFFAZST-NEPJUHHUSA-N	1	3	300.403	-1.063	20	0		DAADHO
C[C@H]1CC[C@@H](NC(=O)C(=O)NCCOCCN(C)C)C[NH2+]1	ZINC000627394128	545828989	/nfs/dbraw/zinc/82/89/89/545828989.db2.gz	XWRUYKMAFFAZST-NWDGAFQWSA-N	1	3	300.403	-1.063	20	0		DAADHO
COCCN(C)CCCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C	ZINC000627385121	545829225	/nfs/dbraw/zinc/82/92/25/545829225.db2.gz	ZPIOUOZIDXCZOJ-NWDGAFQWSA-N	1	3	300.403	-1.063	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCS(=O)(=O)N1	ZINC000651263711	409363914	/nfs/dbraw/zinc/36/39/14/409363914.db2.gz	BBNNYJAINUYJSE-NSHDSACASA-N	1	3	306.432	-1.370	20	0		DAADHO
CCO[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C)C[C@H]1C[NH3+]	ZINC000652726595	409400688	/nfs/dbraw/zinc/40/06/88/409400688.db2.gz	CPBQBBZJMFJBCZ-VXGBXAGGSA-N	1	3	300.403	-1.171	20	0		DAADHO
CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](C[NH3+])OC)CC1	ZINC000353473188	409473486	/nfs/dbraw/zinc/47/34/86/409473486.db2.gz	USLPJUSRTSGMHY-GFCCVEGCSA-N	1	3	300.403	-1.027	20	0		DAADHO
CN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)[C@H](CN)C1	ZINC000516027563	409558307	/nfs/dbraw/zinc/55/83/07/409558307.db2.gz	NWJRGSLLPSBWQA-GFCCVEGCSA-N	1	3	311.430	-1.312	20	0		DAADHO
C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CN1C1CC1	ZINC000516434819	409558925	/nfs/dbraw/zinc/55/89/25/409558925.db2.gz	PMAXWOCXCXDDAC-BZPMIXESSA-N	1	3	323.441	-1.171	20	0		DAADHO
CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1	ZINC000659738182	409533611	/nfs/dbraw/zinc/53/36/11/409533611.db2.gz	BEQLPUSKJBSGLM-CHWSQXEVSA-N	1	3	311.430	-1.312	20	0		DAADHO
COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1	ZINC000420024099	409536874	/nfs/dbraw/zinc/53/68/74/409536874.db2.gz	AFPAWKJPOSIMPR-LBPRGKRZSA-N	1	3	300.403	-1.124	20	0		DAADHO
COCCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1	ZINC000419901197	409538621	/nfs/dbraw/zinc/53/86/21/409538621.db2.gz	STHQHZLPIYCTMJ-LBPRGKRZSA-N	1	3	300.403	-1.109	20	0		DAADHO
CC(C)Nc1nc(NCCO)nc(NCC[C@H]2CCC[NH2+]2)n1	ZINC000420239414	409538926	/nfs/dbraw/zinc/53/89/26/409538926.db2.gz	OVJKFVQPLUMYGG-LLVKDONJSA-N	1	3	309.418	-1.084	20	0		DAADHO
CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N(C)CC[NH3+]	ZINC000423218140	409544676	/nfs/dbraw/zinc/54/46/76/409544676.db2.gz	VBTKZJQFHJBEIQ-GFCCVEGCSA-N	1	3	300.403	-1.027	20	0		DAADHO
COCCN(CCN(C)C)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1	ZINC000423262939	409546852	/nfs/dbraw/zinc/54/68/52/409546852.db2.gz	NWKXQDVGWWODGB-GFCCVEGCSA-N	1	3	316.402	-1.791	20	0		DAADHO
COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1	ZINC000423260878	409547718	/nfs/dbraw/zinc/54/77/18/409547718.db2.gz	IOJBXROJJVELRK-LBPRGKRZSA-N	1	3	300.403	-1.027	20	0		DAADHO
COCCNCC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000430897747	409571258	/nfs/dbraw/zinc/57/12/58/409571258.db2.gz	QPTQPXPQXDLKOH-GFCCVEGCSA-N	1	3	300.403	-1.074	20	0		DAADHO
COCCNCC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000430897747	409571262	/nfs/dbraw/zinc/57/12/62/409571262.db2.gz	QPTQPXPQXDLKOH-GFCCVEGCSA-N	1	3	300.403	-1.074	20	0		DAADHO
C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CCO1	ZINC000649274890	409653689	/nfs/dbraw/zinc/65/36/89/409653689.db2.gz	ZEPXENDVACGBQY-XQQFMLRXSA-N	1	3	312.414	-1.029	20	0		DAADHO
CN(C)CCN1C[C@H](C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1=O	ZINC000576348628	409660149	/nfs/dbraw/zinc/66/01/49/409660149.db2.gz	DSFMAXKRQJPXBJ-CHWSQXEVSA-N	1	3	311.430	-1.502	20	0		DAADHO
O=C(NCCCN1CC[NH2+]CC1)N1CCN2C[C@H](O)C[C@H]2C1	ZINC000655960908	409675109	/nfs/dbraw/zinc/67/51/09/409675109.db2.gz	CVCVCIJVWQUCMZ-UONOGXRCSA-N	1	3	311.430	-1.258	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](O)C1	ZINC000659318559	409686104	/nfs/dbraw/zinc/68/61/04/409686104.db2.gz	GEAVSGOBFPOOHP-ZDUSSCGKSA-N	1	3	314.430	-1.079	20	0		DAADHO
C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1	ZINC000659709748	409690457	/nfs/dbraw/zinc/69/04/57/409690457.db2.gz	LNSLBWDCNHTDHE-CHWSQXEVSA-N	1	3	313.446	-1.290	20	0		DAADHO
CCN(C)CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000446776598	409776977	/nfs/dbraw/zinc/77/69/77/409776977.db2.gz	NOIKJZJJADBERT-UHFFFAOYSA-N	1	3	310.402	-0.549	20	0		DAADHO
C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)N(C)C	ZINC000448491211	409797136	/nfs/dbraw/zinc/79/71/36/409797136.db2.gz	SWDFORANBHRHRG-NSHDSACASA-N	1	3	310.402	-0.551	20	0		DAADHO
CNS(=O)(=O)CCCN1CCC[C@@H](C(=O)NCC[NH3+])C1	ZINC000430631663	263231597	/nfs/dbraw/zinc/23/15/97/263231597.db2.gz	VKCVSHDFTNPHQG-LLVKDONJSA-N	1	3	306.432	-1.287	20	0		DAADHO
CCN1CCC[C@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000419873933	263296402	/nfs/dbraw/zinc/29/64/02/263296402.db2.gz	SFKUEUXGSOFKFN-ZDUSSCGKSA-N	1	3	311.430	-1.392	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)CN1CCCS1(=O)=O	ZINC000531119122	263296551	/nfs/dbraw/zinc/29/65/51/263296551.db2.gz	HRXMHNNEVLLYEW-UHFFFAOYSA-N	1	3	320.459	-1.026	20	0		DAADHO
COCCN(C)CCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1	ZINC000351558699	263302479	/nfs/dbraw/zinc/30/24/79/263302479.db2.gz	NEIYOXVIRLCUBF-GFCCVEGCSA-N	1	3	300.403	-1.061	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCn1cccn1	ZINC000582137461	333594591	/nfs/dbraw/zinc/59/45/91/333594591.db2.gz	QQRWBEWCYSRBRS-UHFFFAOYSA-N	1	3	324.429	-1.049	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)CN(C)S(C)(=O)=O	ZINC000103212412	336238762	/nfs/dbraw/zinc/23/87/62/336238762.db2.gz	VVIJPFOAMLAXMY-UHFFFAOYSA-N	1	3	308.448	-1.170	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CCCO	ZINC000564710754	341507561	/nfs/dbraw/zinc/50/75/61/341507561.db2.gz	HWHICXYLQPUIDN-UHFFFAOYSA-N	1	3	302.419	-1.221	20	0		DAADHO
O=C(COC1CNC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000572719550	341701783	/nfs/dbraw/zinc/70/17/83/341701783.db2.gz	ARAFJQLEDJNXGA-JTQLQIEISA-N	1	3	310.320	-1.073	20	0		DAADHO
CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1	ZINC000576099520	341826425	/nfs/dbraw/zinc/82/64/25/341826425.db2.gz	YYOAWYHANKCIKB-CYBMUJFWSA-N	1	3	313.446	-1.112	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C(C)C	ZINC001152445199	782153984	/nfs/dbraw/zinc/15/39/84/782153984.db2.gz	DDMREHODHOFMBJ-JTQLQIEISA-N	1	3	301.391	-1.124	20	0		DAADHO
COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CN2CCOCC2)C1	ZINC001198699377	782159687	/nfs/dbraw/zinc/15/96/87/782159687.db2.gz	OVTJHXOGWQCSJW-MGPQQGTHSA-N	1	3	315.414	-1.238	20	0		DAADHO
COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CN2CCOCC2)C1	ZINC001198699377	782159693	/nfs/dbraw/zinc/15/96/93/782159693.db2.gz	OVTJHXOGWQCSJW-MGPQQGTHSA-N	1	3	315.414	-1.238	20	0		DAADHO
CN(CCN(C)C1CC1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+]	ZINC000517731289	545647069	/nfs/dbraw/zinc/64/70/69/545647069.db2.gz	VDMCHXBXNWYFSU-ZDUSSCGKSA-N	1	3	311.430	-1.360	20	0		DAADHO
CCN1CCN(CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1	ZINC000351517841	545720988	/nfs/dbraw/zinc/72/09/88/545720988.db2.gz	BGDMPPNYBAKAPO-ZDUSSCGKSA-N	1	3	311.430	-1.392	20	0		DAADHO
C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000331577057	545726834	/nfs/dbraw/zinc/72/68/34/545726834.db2.gz	WHRIIWKOMQPMNU-KGLIPLIRSA-N	1	3	323.441	-1.297	20	0		DAADHO
NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1	ZINC001020405898	662306518	/nfs/dbraw/zinc/30/65/18/662306518.db2.gz	DVPPLPNTVWNNKI-CPXFUSCUSA-N	1	3	308.382	-1.428	20	0		DAADHO
C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1)C(N)=O	ZINC001020405680	662306635	/nfs/dbraw/zinc/30/66/35/662306635.db2.gz	ACHZSXJSKYTNGU-XHPDCBOFSA-N	1	3	322.409	-1.040	20	0		DAADHO
NC(=O)C(=O)NC1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1O	ZINC000970208448	662351552	/nfs/dbraw/zinc/35/15/52/662351552.db2.gz	KWVJCPGZLQDGES-MNOVXSKESA-N	1	3	324.381	-1.964	20	0		DAADHO
NC(=O)C[NH+]1C2CCC1CC(NC(=O)C1CC(=O)NC(=O)C1)C2	ZINC001021410645	662366835	/nfs/dbraw/zinc/36/68/35/662366835.db2.gz	SCQQPALVDANWFS-QWRGUYRKSA-N	1	3	322.365	-1.364	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)N3CCOCC3)C2)C1	ZINC000970712793	662368630	/nfs/dbraw/zinc/36/86/30/662368630.db2.gz	SHCRPFZIAVCKRL-UONOGXRCSA-N	1	3	324.425	-1.013	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)N3CCOCC3)C2)C1	ZINC000970712793	662368631	/nfs/dbraw/zinc/36/86/31/662368631.db2.gz	SHCRPFZIAVCKRL-UONOGXRCSA-N	1	3	324.425	-1.013	20	0		DAADHO
C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCNCCNCC3)CC[C@@H]21	ZINC000926398479	662403514	/nfs/dbraw/zinc/40/35/14/662403514.db2.gz	VSCRNOLMLDJZIV-KBPBESRZSA-N	1	3	323.441	-1.440	20	0		DAADHO
C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCNCCNCC3)CC[C@@H]21	ZINC000926398479	662403522	/nfs/dbraw/zinc/40/35/22/662403522.db2.gz	VSCRNOLMLDJZIV-KBPBESRZSA-N	1	3	323.441	-1.440	20	0		DAADHO
C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCNCCNCC3)C2)C1	ZINC000926411128	662405535	/nfs/dbraw/zinc/40/55/35/662405535.db2.gz	UKIYWQOOZMEVHI-INIZCTEOSA-N	1	3	323.441	-1.438	20	0		DAADHO
C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCNCCNCC3)C2)C1	ZINC000926411128	662405539	/nfs/dbraw/zinc/40/55/39/662405539.db2.gz	UKIYWQOOZMEVHI-INIZCTEOSA-N	1	3	323.441	-1.438	20	0		DAADHO
CN(C)CCN1C[C@H](C(=O)NCCN2CC[NH2+]CC2)CC1=O	ZINC000237162044	662697658	/nfs/dbraw/zinc/69/76/58/662697658.db2.gz	CNRDROMUZDOOEM-CYBMUJFWSA-N	1	3	311.430	-1.582	20	0		DAADHO
CN(C)CCN1C[C@@H](C(=O)NCCN2CC[NH2+]CC2)CC1=O	ZINC000237160524	662697786	/nfs/dbraw/zinc/69/77/86/662697786.db2.gz	CNRDROMUZDOOEM-ZDUSSCGKSA-N	1	3	311.430	-1.582	20	0		DAADHO
COC[C@H]1CNCCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000905024237	662794525	/nfs/dbraw/zinc/79/45/25/662794525.db2.gz	VPCZNMSQFJSNIL-ZIAGYGMSSA-N	1	3	322.409	-1.094	20	0		DAADHO
C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1	ZINC000911147445	663137511	/nfs/dbraw/zinc/13/75/11/663137511.db2.gz	HTJAZGNVYIGXSZ-FVCCEPFGSA-N	1	3	310.398	-1.310	20	0		DAADHO
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1	ZINC000911148678	663137542	/nfs/dbraw/zinc/13/75/42/663137542.db2.gz	ZSIBYFUOAUOQIB-AXAPSJFSSA-N	1	3	324.425	-1.103	20	0		DAADHO
[NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1	ZINC000911148929	663137599	/nfs/dbraw/zinc/13/75/99/663137599.db2.gz	SYSUEHMUCAEKTH-AVGNSLFASA-N	1	3	310.398	-1.085	20	0		DAADHO
O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2	ZINC000911147810	663137710	/nfs/dbraw/zinc/13/77/10/663137710.db2.gz	JQZFDONIBOBSID-IKOXMDCHSA-N	1	3	322.409	-1.025	20	0		DAADHO
COCCCN(C)CCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1	ZINC000911174505	663138737	/nfs/dbraw/zinc/13/87/37/663138737.db2.gz	CUDSXOQPLOPQGV-HAQNSBGRSA-N	1	3	300.403	-1.076	20	0		DAADHO
O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCNCCNCC1	ZINC000911269548	663140211	/nfs/dbraw/zinc/14/02/11/663140211.db2.gz	LMMMQVSTRSSUHI-KBPBESRZSA-N	1	3	323.441	-1.249	20	0		DAADHO
O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCNCCNCC1	ZINC000911269548	663140213	/nfs/dbraw/zinc/14/02/13/663140213.db2.gz	LMMMQVSTRSSUHI-KBPBESRZSA-N	1	3	323.441	-1.249	20	0		DAADHO
O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCNCCNCC1	ZINC000911223682	663140644	/nfs/dbraw/zinc/14/06/44/663140644.db2.gz	RHIJYMOUYQLIOY-CQSZACIVSA-N	1	3	323.441	-1.392	20	0		DAADHO
O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCNCCNCC1	ZINC000911223682	663140654	/nfs/dbraw/zinc/14/06/54/663140654.db2.gz	RHIJYMOUYQLIOY-CQSZACIVSA-N	1	3	323.441	-1.392	20	0		DAADHO
CCO[C@@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)C[NH+](C)C	ZINC000911310817	663141393	/nfs/dbraw/zinc/14/13/93/663141393.db2.gz	NXPGCKJNOAGTNW-NEPJUHHUSA-N	1	3	316.402	-1.826	20	0		DAADHO
CCO[C@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)C[NH+](C)C	ZINC000911310820	663141875	/nfs/dbraw/zinc/14/18/75/663141875.db2.gz	NXPGCKJNOAGTNW-VXGBXAGGSA-N	1	3	316.402	-1.826	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CNOC1	ZINC000911465816	663145914	/nfs/dbraw/zinc/14/59/14/663145914.db2.gz	YDSLDOYKEAJURU-LLVKDONJSA-N	1	3	301.391	-2.042	20	0		DAADHO
CN(CCO)CCN(C)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000912606835	663153796	/nfs/dbraw/zinc/15/37/96/663153796.db2.gz	YOQPTRJJFXZIKE-CYBMUJFWSA-N	1	3	314.430	-1.221	20	0		DAADHO
NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1	ZINC000999765533	663563161	/nfs/dbraw/zinc/56/31/61/663563161.db2.gz	PAFCVKBOPNRTMO-LGESCRJUSA-N	1	3	322.409	-1.085	20	0		DAADHO
CN(CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)CCOCCO	ZINC000922110928	663621939	/nfs/dbraw/zinc/62/19/39/663621939.db2.gz	SJKGWIAQUOEJPN-UONOGXRCSA-N	1	3	315.414	-1.094	20	0		DAADHO
CN(CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)CCOCCO	ZINC000922110928	663621941	/nfs/dbraw/zinc/62/19/41/663621941.db2.gz	SJKGWIAQUOEJPN-UONOGXRCSA-N	1	3	315.414	-1.094	20	0		DAADHO
CN(CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)CCOCCO	ZINC000922110929	663622461	/nfs/dbraw/zinc/62/24/61/663622461.db2.gz	SJKGWIAQUOEJPN-ZIAGYGMSSA-N	1	3	315.414	-1.094	20	0		DAADHO
CN(CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)CCOCCO	ZINC000922110929	663622462	/nfs/dbraw/zinc/62/24/62/663622462.db2.gz	SJKGWIAQUOEJPN-ZIAGYGMSSA-N	1	3	315.414	-1.094	20	0		DAADHO
C[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)N1CCCCC1	ZINC000842015213	663876167	/nfs/dbraw/zinc/87/61/67/663876167.db2.gz	HVRIRTWIQJBLHL-GFCCVEGCSA-N	1	3	300.403	-1.243	20	0		DAADHO
[NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12	ZINC000848616666	663892161	/nfs/dbraw/zinc/89/21/61/663892161.db2.gz	QMTWJYNQSXWVJJ-STQMWFEESA-N	1	3	312.414	-1.101	20	0		DAADHO
[NH3+]CC12CC(C1)CN2C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1	ZINC000851685812	663896351	/nfs/dbraw/zinc/89/63/51/663896351.db2.gz	WFHMPKAPXHIJLX-WULFKBJJSA-N	1	3	322.409	-1.085	20	0		DAADHO
[NH3+]C[C@@H]1CC(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)=NO1	ZINC000852865687	663898537	/nfs/dbraw/zinc/89/85/37/663898537.db2.gz	MDBLKJPTGJZMMG-LBPRGKRZSA-N	1	3	323.397	-1.143	20	0		DAADHO
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1	ZINC000861756029	663918928	/nfs/dbraw/zinc/91/89/28/663918928.db2.gz	SLSAPURVKXFPGA-QNWHQSFQSA-N	1	3	310.398	-1.168	20	0		DAADHO
O=S(=O)(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CNC1	ZINC000923639489	663944089	/nfs/dbraw/zinc/94/40/89/663944089.db2.gz	OLFXZETYPBUJLB-SECBINFHSA-N	1	3	316.349	-1.286	20	0		DAADHO
O=S(=O)(C1CNC1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21	ZINC000923649533	663946484	/nfs/dbraw/zinc/94/64/84/663946484.db2.gz	VUMRKGISJBUKIC-NEPJUHHUSA-N	1	3	301.412	-1.012	20	0		DAADHO
O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)N1CCNCC1	ZINC000923672240	663951873	/nfs/dbraw/zinc/95/18/73/663951873.db2.gz	BWYJKDBJHYSPEI-LBPRGKRZSA-N	1	3	318.443	-1.115	20	0		DAADHO
O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCNCC1	ZINC000923673144	663952038	/nfs/dbraw/zinc/95/20/38/663952038.db2.gz	ZPGYNFYGCUVUNC-GFCCVEGCSA-N	1	3	318.443	-1.115	20	0		DAADHO
C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1	ZINC000884559986	663964480	/nfs/dbraw/zinc/96/44/80/663964480.db2.gz	KNGKSMSRYYIUNC-VOAKCMCISA-N	1	3	310.398	-1.086	20	0		DAADHO
C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1	ZINC000884559988	663964853	/nfs/dbraw/zinc/96/48/53/663964853.db2.gz	KNGKSMSRYYIUNC-YVECIDJPSA-N	1	3	310.398	-1.086	20	0		DAADHO
O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2	ZINC000884560354	663964866	/nfs/dbraw/zinc/96/48/66/663964866.db2.gz	VOTVVUSGUCXIBE-CYDGBPFRSA-N	1	3	308.382	-1.462	20	0		DAADHO
[NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)N1CCNCC1)CC2	ZINC000923687366	663965952	/nfs/dbraw/zinc/96/59/52/663965952.db2.gz	KKCMOUGBGUBAFJ-LBPRGKRZSA-N	1	3	318.443	-1.034	20	0		DAADHO
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CNCCO3)CC[C@H]21	ZINC000884725397	663966930	/nfs/dbraw/zinc/96/69/30/663966930.db2.gz	IKWHWFYNKBGIJM-JHJVBQTASA-N	1	3	310.398	-1.356	20	0		DAADHO
C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CNCCO3)CC[C@H]21	ZINC000884725397	663966932	/nfs/dbraw/zinc/96/69/32/663966932.db2.gz	IKWHWFYNKBGIJM-JHJVBQTASA-N	1	3	310.398	-1.356	20	0		DAADHO
O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2	ZINC000884787475	663967572	/nfs/dbraw/zinc/96/75/72/663967572.db2.gz	SQNCBQUJBPFJGS-IHRRRGAJSA-N	1	3	322.409	-1.071	20	0		DAADHO
C[C@@H]1CN(C(=O)C(=O)N2CCNCCNCC2)C[C@H]1[NH+](C)C	ZINC000926340254	663982255	/nfs/dbraw/zinc/98/22/55/663982255.db2.gz	FBJZTSYHNCFKAU-CHWSQXEVSA-N	1	3	311.430	-1.584	20	0		DAADHO
CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCNCCNCC1	ZINC000926334222	663982445	/nfs/dbraw/zinc/98/24/45/663982445.db2.gz	RUOOHBPOUTVBCW-CYBMUJFWSA-N	1	3	311.430	-1.582	20	0		DAADHO
CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCNCCNCC1	ZINC000926334222	663982449	/nfs/dbraw/zinc/98/24/49/663982449.db2.gz	RUOOHBPOUTVBCW-CYBMUJFWSA-N	1	3	311.430	-1.582	20	0		DAADHO
CN(C)C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCO1	ZINC000926333821	663982457	/nfs/dbraw/zinc/98/24/57/663982457.db2.gz	KUDQOFOOKPPOMI-MELADBBJSA-N	1	3	324.425	-1.014	20	0		DAADHO
C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCNCCNCC2)C1	ZINC000926327611	663982653	/nfs/dbraw/zinc/98/26/53/663982653.db2.gz	ZGLOLBQYFYOJQH-ZDUSSCGKSA-N	1	3	311.430	-1.440	20	0		DAADHO
[NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1	ZINC000926326099	663982701	/nfs/dbraw/zinc/98/27/01/663982701.db2.gz	KNMGTWURJXILHT-BBRMVZONSA-N	1	3	324.425	-1.005	20	0		DAADHO
O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1	ZINC001019435542	664600805	/nfs/dbraw/zinc/60/08/05/664600805.db2.gz	IJOMRLQOHXOCNV-JTQLQIEISA-N	1	3	320.353	-1.306	20	0		DAADHO
C[NH+](C)CCn1cc(C(=O)N2CC[C@H](NCC(N)=O)C2)cn1	ZINC001019496850	664601520	/nfs/dbraw/zinc/60/15/20/664601520.db2.gz	BQMJUZRHHWVCPL-LBPRGKRZSA-N	1	3	308.386	-1.266	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)Cc2c[nH]cn2)C1	ZINC001058948986	677689825	/nfs/dbraw/zinc/68/98/25/677689825.db2.gz	INXFPXCAJUVWSH-LBPRGKRZSA-N	1	3	323.397	-1.159	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)Cc2c[nH]cn2)C1	ZINC001058948986	677689826	/nfs/dbraw/zinc/68/98/26/677689826.db2.gz	INXFPXCAJUVWSH-LBPRGKRZSA-N	1	3	323.397	-1.159	20	0		DAADHO
CC[C@@H](C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1)N(C)C	ZINC001045713533	678470080	/nfs/dbraw/zinc/47/00/80/678470080.db2.gz	JMCPKOQMARHYCW-LBPRGKRZSA-N	1	3	314.430	-1.032	20	0		DAADHO
CNC(=O)CNC[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1	ZINC001201334129	782217756	/nfs/dbraw/zinc/21/77/56/782217756.db2.gz	FYULCGHNUNHCFR-GFCCVEGCSA-N	1	3	300.403	-1.109	20	0		DAADHO
CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1	ZINC001202060222	782227200	/nfs/dbraw/zinc/22/72/00/782227200.db2.gz	VPWCFNZKPTXTIS-CHWSQXEVSA-N	1	3	312.414	-1.109	20	0		DAADHO
CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1	ZINC001202060222	782227206	/nfs/dbraw/zinc/22/72/06/782227206.db2.gz	VPWCFNZKPTXTIS-CHWSQXEVSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[NH+](C)CCN1C[C@]2(CCN(C[C@H](O)CO)C2)OCC1=O	ZINC001274564631	782283627	/nfs/dbraw/zinc/28/36/27/782283627.db2.gz	KMAQIBDQCUGWHP-GXTWGEPZSA-N	1	3	301.387	-1.796	20	0		DAADHO
C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21	ZINC001114778307	782377310	/nfs/dbraw/zinc/37/73/10/782377310.db2.gz	IKSJWNARKHNREF-BBGACYKPSA-N	1	3	308.382	-1.210	20	0		DAADHO
C[NH+](C)CCOCC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O	ZINC001100073415	782547348	/nfs/dbraw/zinc/54/73/48/782547348.db2.gz	CPJYQJHWXVIOLD-CHWSQXEVSA-N	1	3	303.403	-1.502	20	0		DAADHO
CN1CCN(C)[C@H](CNC(=O)C(=O)NC[C@H]2COCCN2)C1	ZINC001118865801	782735845	/nfs/dbraw/zinc/73/58/45/782735845.db2.gz	SJIFLYKMNJVQDI-NWDGAFQWSA-N	1	3	313.402	-2.547	20	0		DAADHO
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1COCCN1	ZINC001118865801	782735851	/nfs/dbraw/zinc/73/58/51/782735851.db2.gz	SJIFLYKMNJVQDI-NWDGAFQWSA-N	1	3	313.402	-2.547	20	0		DAADHO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1COCCN1	ZINC001118865801	782735857	/nfs/dbraw/zinc/73/58/57/782735857.db2.gz	SJIFLYKMNJVQDI-NWDGAFQWSA-N	1	3	313.402	-2.547	20	0		DAADHO
CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C1	ZINC001266542293	775152891	/nfs/dbraw/zinc/15/28/91/775152891.db2.gz	NNIDHNIPIXXSTJ-NWDGAFQWSA-N	1	3	318.443	-1.180	20	0		DAADHO
CC(C)[C@H](C(=O)N(C)CCNCC(=O)NC(N)=O)[NH+](C)C	ZINC001267425392	775239488	/nfs/dbraw/zinc/23/94/88/775239488.db2.gz	WHOVEAGXVXUGQJ-LLVKDONJSA-N	1	3	301.391	-1.185	20	0		DAADHO
CN(CCN[C@H]1CCC(=O)NC1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001267457065	775239995	/nfs/dbraw/zinc/23/99/95/775239995.db2.gz	RGYQOSDZOGJRBY-NSHDSACASA-N	1	3	308.382	-1.065	20	0		DAADHO
CN(CCNCC(=O)N1CCOCC1)C(=O)C12CC[NH+](CC1)C2	ZINC001267457004	775240826	/nfs/dbraw/zinc/24/08/26/775240826.db2.gz	QTQRZVWENZOQEH-UHFFFAOYSA-N	1	3	324.425	-1.011	20	0		DAADHO
CC(C)N(C)CC(=O)N(C)CC[NH2+]CCN1C(=O)CNC1=O	ZINC001267474410	775245209	/nfs/dbraw/zinc/24/52/09/775245209.db2.gz	RGZYDGOIQKYEMA-UHFFFAOYSA-N	1	3	313.402	-1.074	20	0		DAADHO
COC(=O)CNC(=O)CNC(=O)[C@@H](N)CCCC[NH+](C)C	ZINC001220574507	775276115	/nfs/dbraw/zinc/27/61/15/775276115.db2.gz	ADKDRGWUBXCMGY-JTQLQIEISA-N	1	3	302.375	-1.549	20	0		DAADHO
C[C@H](CNCCNS(C)(=O)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001268645169	775412859	/nfs/dbraw/zinc/41/28/59/775412859.db2.gz	JLTUSFGXWUDGQM-IJLUTSLNSA-N	1	3	320.459	-1.030	20	0		DAADHO
C[C@H](CNCCNS(C)(=O)=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001268645169	775412865	/nfs/dbraw/zinc/41/28/65/775412865.db2.gz	JLTUSFGXWUDGQM-IJLUTSLNSA-N	1	3	320.459	-1.030	20	0		DAADHO
CN(C)CCN1C(=O)COCC12CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2	ZINC001269246836	775452289	/nfs/dbraw/zinc/45/22/89/775452289.db2.gz	AMFNPZHUGMJPAW-CYBMUJFWSA-N	1	3	324.425	-1.061	20	0		DAADHO
CN(C)CCN1C(=O)COCC12CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2	ZINC001269246836	775452295	/nfs/dbraw/zinc/45/22/95/775452295.db2.gz	AMFNPZHUGMJPAW-CYBMUJFWSA-N	1	3	324.425	-1.061	20	0		DAADHO
C[C@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)Cc1c[nH]cn1	ZINC001271119316	775530189	/nfs/dbraw/zinc/53/01/89/775530189.db2.gz	BTPYCXGZCBMSOM-SNVBAGLBSA-N	1	3	322.369	-1.060	20	0		DAADHO
C[C@@H](NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)NC(N)=O	ZINC001127466494	775807563	/nfs/dbraw/zinc/80/75/63/775807563.db2.gz	OPSKBEVJEQTDPF-MWLCHTKSSA-N	1	3	311.386	-1.383	20	0		DAADHO
CNC(=O)[C@H](C)NCCNC(=O)c1ccn(CC[NH+](C)C)n1	ZINC001127562960	775811717	/nfs/dbraw/zinc/81/17/17/775811717.db2.gz	QBRLXPLKSCOMLM-NSHDSACASA-N	1	3	310.402	-1.101	20	0		DAADHO
CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001127643751	775818705	/nfs/dbraw/zinc/81/87/05/775818705.db2.gz	KBWJZNGVUDPJPT-VXGBXAGGSA-N	1	3	320.459	-1.028	20	0		DAADHO
CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001127643751	775818714	/nfs/dbraw/zinc/81/87/14/775818714.db2.gz	KBWJZNGVUDPJPT-VXGBXAGGSA-N	1	3	320.459	-1.028	20	0		DAADHO
[NH3+]CCCC[C@H](NC(=O)[C@H]1CNCCN1)C(=O)N1CCCC1	ZINC001157380128	776385391	/nfs/dbraw/zinc/38/53/91/776385391.db2.gz	WJPKTFHUYRXXPY-QWHCGFSZSA-N	1	3	311.430	-1.216	20	0		DAADHO
CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]1CCS(=O)(=O)C12CNC2	ZINC001157716992	776427463	/nfs/dbraw/zinc/42/74/63/776427463.db2.gz	VYWWJGHPNCGZIV-MNOVXSKESA-N	1	3	317.411	-1.790	20	0		DAADHO
CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C	ZINC001129443605	776471282	/nfs/dbraw/zinc/47/12/82/776471282.db2.gz	KZKLINGXHSNBFC-LBPRGKRZSA-N	1	3	320.459	-1.028	20	0		DAADHO
CC[C@H](C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O)N(C)C	ZINC001130205763	776497273	/nfs/dbraw/zinc/49/72/73/776497273.db2.gz	VUOHPWUWMWHYOB-LLVKDONJSA-N	1	3	313.402	-1.026	20	0		DAADHO
O=C(CNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)NC1CC1	ZINC001131520505	776574033	/nfs/dbraw/zinc/57/40/33/776574033.db2.gz	ZVHOLAWLMUOTSY-ULKWEWGCSA-N	1	3	322.409	-1.166	20	0		DAADHO
O=C(CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)NC1CC1	ZINC001131520505	776574037	/nfs/dbraw/zinc/57/40/37/776574037.db2.gz	ZVHOLAWLMUOTSY-ULKWEWGCSA-N	1	3	322.409	-1.166	20	0		DAADHO
O=C(CNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC1	ZINC001131520311	776574587	/nfs/dbraw/zinc/57/45/87/776574587.db2.gz	XGLKQIDUTLLQRV-MFOWVQHXSA-N	1	3	322.409	-1.212	20	0		DAADHO
O=C(CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCC1	ZINC001131520311	776574594	/nfs/dbraw/zinc/57/45/94/776574594.db2.gz	XGLKQIDUTLLQRV-MFOWVQHXSA-N	1	3	322.409	-1.212	20	0		DAADHO
CC[C@H]([NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1)C(N)=O	ZINC001131521574	776575213	/nfs/dbraw/zinc/57/52/13/776575213.db2.gz	BUWYRGCNWNCJMQ-XWAURUHHSA-N	1	3	310.398	-1.181	20	0		DAADHO
COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1	ZINC001131519429	776575286	/nfs/dbraw/zinc/57/52/86/776575286.db2.gz	FETZJAHCEVZWRQ-SBEAFCBVSA-N	1	3	313.398	-1.437	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1	ZINC001132995242	776649347	/nfs/dbraw/zinc/64/93/47/776649347.db2.gz	OVUJTVLNNAYZPG-SNVBAGLBSA-N	1	3	313.402	-1.122	20	0		DAADHO
CCS(=O)(=O)NCCNCCNC(=O)CCC[NH+](C)C	ZINC001133051632	776651024	/nfs/dbraw/zinc/65/10/24/776651024.db2.gz	ISMDXFSIBFVFAD-UHFFFAOYSA-N	1	3	308.448	-1.027	20	0		DAADHO
C[NH+](C)CCC(=O)NCCNCC(=O)NC[C@@H]1CCOC1	ZINC001133290759	776663933	/nfs/dbraw/zinc/66/39/33/776663933.db2.gz	ATTUFVZPSFTWRA-LBPRGKRZSA-N	1	3	300.403	-1.203	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001133845329	776679275	/nfs/dbraw/zinc/67/92/75/776679275.db2.gz	BGZOYCYASWBIKO-NSHDSACASA-N	1	3	313.402	-1.120	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1	ZINC001133845329	776679284	/nfs/dbraw/zinc/67/92/84/776679284.db2.gz	BGZOYCYASWBIKO-NSHDSACASA-N	1	3	313.402	-1.120	20	0		DAADHO
CCS(=O)(=O)NCC[NH2+]CCNC(=O)CN1CC[C@H](C)C1	ZINC001133849678	776680159	/nfs/dbraw/zinc/68/01/59/776680159.db2.gz	BSTFLVNEJAQXMX-LBPRGKRZSA-N	1	3	320.459	-1.027	20	0		DAADHO
C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)N1CCOCC1	ZINC001133871251	776681439	/nfs/dbraw/zinc/68/14/39/776681439.db2.gz	ZTJDTCVENKAZMT-QWHCGFSZSA-N	1	3	312.414	-1.251	20	0		DAADHO
C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)N1CCOCC1	ZINC001133871251	776681444	/nfs/dbraw/zinc/68/14/44/776681444.db2.gz	ZTJDTCVENKAZMT-QWHCGFSZSA-N	1	3	312.414	-1.251	20	0		DAADHO
CC1(C)CCN(CC(=O)NCC[NH2+]CCNS(C)(=O)=O)C1	ZINC001133896642	776681586	/nfs/dbraw/zinc/68/15/86/776681586.db2.gz	MOCBIXSAXAUJJO-UHFFFAOYSA-N	1	3	320.459	-1.027	20	0		DAADHO
C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)N1CCOCC1	ZINC001133871249	776681828	/nfs/dbraw/zinc/68/18/28/776681828.db2.gz	ZTJDTCVENKAZMT-CHWSQXEVSA-N	1	3	312.414	-1.251	20	0		DAADHO
C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)N1CCOCC1	ZINC001133871249	776681832	/nfs/dbraw/zinc/68/18/32/776681832.db2.gz	ZTJDTCVENKAZMT-CHWSQXEVSA-N	1	3	312.414	-1.251	20	0		DAADHO
CNC(=O)CNCCNC(=O)COC[C@@H](C)[NH+]1CCCC1	ZINC001134021191	776687104	/nfs/dbraw/zinc/68/71/04/776687104.db2.gz	UPCGETQZYCLEBQ-GFCCVEGCSA-N	1	3	300.403	-1.061	20	0		DAADHO
C[NH+](C)CCn1cc(C(=O)NCCN[C@H]2CCNC2=O)cn1	ZINC001135118415	776737450	/nfs/dbraw/zinc/73/74/50/776737450.db2.gz	MDEKFYORHUAYMJ-LBPRGKRZSA-N	1	3	308.386	-1.347	20	0		DAADHO
CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@]([NH3+])(CO)C3)C[C@@H]21	ZINC001119705814	779512027	/nfs/dbraw/zinc/51/20/27/779512027.db2.gz	ZXGGMJNGFSOOKL-TYNCELHUSA-N	1	3	310.398	-1.539	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC2CCOCC2)C1	ZINC001151048506	779669601	/nfs/dbraw/zinc/66/96/01/779669601.db2.gz	BXBCBNNUDGAGDA-GFCCVEGCSA-N	1	3	312.414	-1.061	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC2CCOCC2)C1	ZINC001151048506	779669604	/nfs/dbraw/zinc/66/96/04/779669604.db2.gz	BXBCBNNUDGAGDA-GFCCVEGCSA-N	1	3	312.414	-1.061	20	0		DAADHO
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@H](C)N	ZINC001157336938	779752025	/nfs/dbraw/zinc/75/20/25/779752025.db2.gz	QKZIYHCVWBENLE-GUBZILKMSA-N	1	3	301.391	-1.802	20	0		DAADHO
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1COC2(CNC2)CN1	ZINC001157322878	779752074	/nfs/dbraw/zinc/75/20/74/779752074.db2.gz	BMPDUFIEECTVFC-QWRGUYRKSA-N	1	3	313.402	-2.323	20	0		DAADHO
CN(C[C@@H]1CNCCO1)C(=O)CN(CC[NH3+])S(C)(=O)=O	ZINC001157715140	779757332	/nfs/dbraw/zinc/75/73/32/779757332.db2.gz	BUYKFFBNRZBTIS-JTQLQIEISA-N	1	3	308.404	-2.347	20	0		DAADHO
CC(C)C[C@H](N)C(=O)NCC(=O)N(C)C[C@@H]1C[NH2+]CCO1	ZINC001157714919	779757368	/nfs/dbraw/zinc/75/73/68/779757368.db2.gz	AHVRQXGJFASLHR-RYUDHWBXSA-N	1	3	300.403	-1.077	20	0		DAADHO
CN(C[C@H]1CNCCO1)C(=O)[C@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001157716175	779757547	/nfs/dbraw/zinc/75/75/47/779757547.db2.gz	MEWNOMOMRRLHOT-VXGBXAGGSA-N	1	3	310.398	-1.451	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H](C[NH3+])[C@H]1C	ZINC001157846346	779759274	/nfs/dbraw/zinc/75/92/74/779759274.db2.gz	HCJWHZCLPUGTLJ-ZDCRXTMVSA-N	1	3	313.402	-1.720	20	0		DAADHO
[NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2COC3(CNC3)CN2)CC1	ZINC001157739818	779759545	/nfs/dbraw/zinc/75/95/45/779759545.db2.gz	KAKNILPXMSZQHT-YPMHNXCESA-N	1	3	300.378	-1.004	20	0		DAADHO
O=C([C@@H]1CNCc2ccnn2C1)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158091370	779766133	/nfs/dbraw/zinc/76/61/33/779766133.db2.gz	BUDUXMROOQBHRA-ABAIWWIYSA-N	1	3	318.381	-1.707	20	0		DAADHO
CNC(=O)CN1CCCC12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)CC2	ZINC001158890820	779781782	/nfs/dbraw/zinc/78/17/82/779781782.db2.gz	NXIDLLVRJCLIPY-STQMWFEESA-N	1	3	324.425	-1.230	20	0		DAADHO
CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H](N)CCCC[NH3+])C2	ZINC001159929259	779799204	/nfs/dbraw/zinc/79/92/04/779799204.db2.gz	AFIAJHILROZJLI-NSHDSACASA-N	1	3	323.401	-1.287	20	0		DAADHO
CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H](N)CCCC[NH3+]	ZINC001160440509	779806086	/nfs/dbraw/zinc/80/60/86/779806086.db2.gz	QWFFRPIPKFFKFP-WDEREUQCSA-N	1	3	314.386	-1.277	20	0		DAADHO
CS(=O)(=O)N1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1	ZINC001160432005	779806343	/nfs/dbraw/zinc/80/63/43/779806343.db2.gz	KMYWVQJAPVSOSP-SNVBAGLBSA-N	1	3	302.400	-2.101	20	0		DAADHO
CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H](N)CCC[NH3+]	ZINC001160439243	779806921	/nfs/dbraw/zinc/80/69/21/779806921.db2.gz	ITMQBZXSGXTEOH-UWVGGRQHSA-N	1	3	300.359	-1.667	20	0		DAADHO
COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H](N)CCC[NH3+]	ZINC001160494278	779809590	/nfs/dbraw/zinc/80/95/90/779809590.db2.gz	RZXBEILJWNJPNU-NRPADANISA-N	1	3	319.383	-1.331	20	0		DAADHO
COC(=O)CN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1	ZINC001160530987	779811210	/nfs/dbraw/zinc/81/12/10/779811210.db2.gz	DFHKQHJOUDCCCO-IUODEOHRSA-N	1	3	310.398	-1.497	20	0		DAADHO
O=C([C@@H]1C[NH2+]CC12CNC2)N1CCN(C2CCOCC2)C(=O)C1	ZINC001160637148	779813054	/nfs/dbraw/zinc/81/30/54/779813054.db2.gz	RSBPHEORJHTPBJ-ZDUSSCGKSA-N	1	3	322.409	-1.355	20	0		DAADHO
O=C(N1CC(N2CCNC(=O)C2)C1)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001160637374	779813377	/nfs/dbraw/zinc/81/33/77/779813377.db2.gz	PMMQRTPJIIUHSH-IAQYHMDHSA-N	1	3	307.398	-2.172	20	0		DAADHO
O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CC(N2CCNC(=O)C2)C1	ZINC001160637798	779813503	/nfs/dbraw/zinc/81/35/03/779813503.db2.gz	TYOVZGKPRNWZNF-CYBMUJFWSA-N	1	3	321.425	-1.497	20	0		DAADHO
O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CC(N2CCNC(=O)C2)C1	ZINC001160637798	779813509	/nfs/dbraw/zinc/81/35/09/779813509.db2.gz	TYOVZGKPRNWZNF-CYBMUJFWSA-N	1	3	321.425	-1.497	20	0		DAADHO
CN1CCN(C2CN(C(=O)[C@H]3C[NH2+]CC34CNC4)C2)CC1=O	ZINC001160637245	779813842	/nfs/dbraw/zinc/81/38/42/779813842.db2.gz	SJNLWNKQMUVBNN-GFCCVEGCSA-N	1	3	307.398	-2.220	20	0		DAADHO
[NH3+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)C[C@@H]1F	ZINC001160648426	779814525	/nfs/dbraw/zinc/81/45/25/779814525.db2.gz	CYYYAPFRWKDKNZ-LPEHRKFASA-N	1	3	305.375	-1.339	20	0		DAADHO
C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCO[C@@H](C[NH3+])C1)C(N)=O	ZINC001160643827	779815134	/nfs/dbraw/zinc/81/51/34/779815134.db2.gz	NZONCYJHCPCDSS-LPEHRKFASA-N	1	3	315.374	-2.730	20	0		DAADHO
CS(=O)(=O)NC1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1	ZINC001160658581	779815196	/nfs/dbraw/zinc/81/51/96/779815196.db2.gz	WXFMCWBYJHRFQN-LLVKDONJSA-N	1	3	316.427	-1.379	20	0		DAADHO
CS(=O)(=O)NC1CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1	ZINC001160658581	779815203	/nfs/dbraw/zinc/81/52/03/779815203.db2.gz	WXFMCWBYJHRFQN-LLVKDONJSA-N	1	3	316.427	-1.379	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1	ZINC001160648433	779815491	/nfs/dbraw/zinc/81/54/91/779815491.db2.gz	DCDIMZNNLVFXSJ-MAUMQABQSA-N	1	3	303.338	-2.409	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@H](C[NH3+])C1	ZINC001160643697	779815619	/nfs/dbraw/zinc/81/56/19/779815619.db2.gz	MRHNJEHTAYTJBL-CIUDSAMLSA-N	1	3	301.347	-3.120	20	0		DAADHO
O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC2(CC1)CC(=O)NC(=O)C2	ZINC001160716693	779816427	/nfs/dbraw/zinc/81/64/27/779816427.db2.gz	SXZVUKAXRSSKNV-NSHDSACASA-N	1	3	320.393	-1.159	20	0		DAADHO
O=C([C@H]1C[NH2+]CC12CNC2)N1CCC2(CC1)CNC(=O)CO2	ZINC001160771565	779818060	/nfs/dbraw/zinc/81/80/60/779818060.db2.gz	AGBLVFSENSXTAK-LLVKDONJSA-N	1	3	308.382	-1.697	20	0		DAADHO
O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCN2C(=O)COC[C@@H]2C1	ZINC001160789728	779818293	/nfs/dbraw/zinc/81/82/93/779818293.db2.gz	FDUNYTFQBBTFTA-QWHCGFSZSA-N	1	3	322.409	-1.070	20	0		DAADHO
O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCN2C(=O)COC[C@@H]2C1	ZINC001160789728	779818300	/nfs/dbraw/zinc/81/83/00/779818300.db2.gz	FDUNYTFQBBTFTA-QWHCGFSZSA-N	1	3	322.409	-1.070	20	0		DAADHO
O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCN2C(=O)COC[C@H]2C1	ZINC001160789727	779818843	/nfs/dbraw/zinc/81/88/43/779818843.db2.gz	FDUNYTFQBBTFTA-OLZOCXBDSA-N	1	3	322.409	-1.070	20	0		DAADHO
O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCN2C(=O)COC[C@H]2C1	ZINC001160789727	779818849	/nfs/dbraw/zinc/81/88/49/779818849.db2.gz	FDUNYTFQBBTFTA-OLZOCXBDSA-N	1	3	322.409	-1.070	20	0		DAADHO
COC(=O)[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCN1C	ZINC001160871255	779821068	/nfs/dbraw/zinc/82/10/68/779821068.db2.gz	STOZVNRUFUEPTO-LALPHHSUSA-N	1	3	310.398	-1.499	20	0		DAADHO
COC(=O)[C@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])CCN1C	ZINC001160871272	779822008	/nfs/dbraw/zinc/82/20/08/779822008.db2.gz	TYAOYWCVPYHIQH-VHSXEESVSA-N	1	3	304.416	-1.679	20	0		DAADHO
O=C([C@@H]1COC2(CNC2)CN1)N1CC(O)([C@H]2CCCC[NH2+]2)C1	ZINC001160999591	779822587	/nfs/dbraw/zinc/82/25/87/779822587.db2.gz	IACRXISCKJSTJU-NWDGAFQWSA-N	1	3	310.398	-1.968	20	0		DAADHO
O=C([C@H]1COC2(CNC2)CN1)N1CC(O)([C@H]2CCCC[NH2+]2)C1	ZINC001160999593	779824220	/nfs/dbraw/zinc/82/42/20/779824220.db2.gz	IACRXISCKJSTJU-VXGBXAGGSA-N	1	3	310.398	-1.968	20	0		DAADHO
COC(=O)[C@H]1CN(C)CCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001161237583	779830682	/nfs/dbraw/zinc/83/06/82/779830682.db2.gz	MWCHLZSDDQWHAO-LALPHHSUSA-N	1	3	310.398	-1.499	20	0		DAADHO
O=C([C@H]1C[NH2+]CC12CNC2)N1CCN(c2ncncn2)CC1	ZINC001161247900	779832772	/nfs/dbraw/zinc/83/27/72/779832772.db2.gz	MUGIDHQALOWROD-LLVKDONJSA-N	1	3	303.370	-1.671	20	0		DAADHO
COC(=O)[C@H]1CN(C(=O)[C@@H](N)CCC[NH3+])CCN1C(C)=O	ZINC001161295577	779833603	/nfs/dbraw/zinc/83/36/03/779833603.db2.gz	MBQDYFUMSQQRIQ-WDEREUQCSA-N	1	3	300.359	-1.715	20	0		DAADHO
COC(=O)[C@]1(C)COCCN1C(=O)[C@@H](N)CSCC[NH3+]	ZINC001161371626	779834466	/nfs/dbraw/zinc/83/44/66/779834466.db2.gz	GBYSBBPDZYKQDP-CABZTGNLSA-N	1	3	305.400	-1.204	20	0		DAADHO
[NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C34CNC4)C[C@H]12	ZINC001161411825	779836140	/nfs/dbraw/zinc/83/61/40/779836140.db2.gz	BEOXOGCKCAWNSS-NOOOWODRSA-N	1	3	313.423	-1.041	20	0		DAADHO
NCC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1	ZINC001161377524	779836263	/nfs/dbraw/zinc/83/62/63/779836263.db2.gz	GUAKPFZZUSYLRP-KGLIPLIRSA-N	1	3	323.441	-1.040	20	0		DAADHO
[NH3+]C1CCN([C@H]2CCN(C(=O)[C@H]3COC4(CNC4)CN3)C2)CC1	ZINC001161380876	779836432	/nfs/dbraw/zinc/83/64/32/779836432.db2.gz	WJBFFOSXUOLIMR-UONOGXRCSA-N	1	3	323.441	-1.659	20	0		DAADHO
[NH3+]C1CCN([C@@H]2CCN(C(=O)[C@H]3COC4(CNC4)CN3)C2)CC1	ZINC001161380877	779836451	/nfs/dbraw/zinc/83/64/51/779836451.db2.gz	WJBFFOSXUOLIMR-ZIAGYGMSSA-N	1	3	323.441	-1.659	20	0		DAADHO
CO[C@@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C[C@@H]1[NH3+]	ZINC001161493790	779839874	/nfs/dbraw/zinc/83/98/74/779839874.db2.gz	RPFGFJVIFVVDIW-XSPKLOCKSA-N	1	3	301.347	-3.122	20	0		DAADHO
CO[C@@H]1CN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)C[C@@H]1[NH3+]	ZINC001161493539	779840235	/nfs/dbraw/zinc/84/02/35/779840235.db2.gz	ODVWUDXZKUAHDU-AXTSPUMRSA-N	1	3	315.374	-2.732	20	0		DAADHO
COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1CNCCN1C)CC2	ZINC001161481414	779840821	/nfs/dbraw/zinc/84/08/21/779840821.db2.gz	SLCBXSWADJFTRE-HUBLWGQQSA-N	1	3	310.398	-1.356	20	0		DAADHO
COC(=O)CC[C@H]1COCCN1C(=O)[C@@H]1C[NH2+]CC12CNC2	ZINC001161564534	779842763	/nfs/dbraw/zinc/84/27/63/779842763.db2.gz	BUNDRXBWXYHGEX-RYUDHWBXSA-N	1	3	311.382	-1.024	20	0		DAADHO
CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1	ZINC001162872032	779863261	/nfs/dbraw/zinc/86/32/61/779863261.db2.gz	DMICBVFHJPBWTE-MQYJIDSJSA-N	1	3	310.398	-1.309	20	0		DAADHO
C[C@@H]([NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1)C(N)=O	ZINC001162872210	779863407	/nfs/dbraw/zinc/86/34/07/779863407.db2.gz	KMUGQIZGOKEUIF-NGWKBDRKSA-N	1	3	310.398	-1.181	20	0		DAADHO
CS(=O)(=O)N(c1cncc(N2CC[NH2+]CC2)n1)C1CNC1	ZINC001166969802	779895787	/nfs/dbraw/zinc/89/57/87/779895787.db2.gz	XSCOZPKLMXFYEW-UHFFFAOYSA-N	1	3	312.399	-1.376	20	0		DAADHO
CN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001207683988	779922679	/nfs/dbraw/zinc/92/26/79/779922679.db2.gz	JCDPMRNJWCNATF-QWRGUYRKSA-N	1	3	311.386	-1.144	20	0		DAADHO
C[C@@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NC(N)=O	ZINC001215458991	780009613	/nfs/dbraw/zinc/00/96/13/780009613.db2.gz	SMPGOERISPPWDY-GMTAPVOTSA-N	1	3	313.402	-1.042	20	0		DAADHO
C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NC(N)=O	ZINC001216750452	780014685	/nfs/dbraw/zinc/01/46/85/780014685.db2.gz	ZRFPFNXHIUWBTE-OUAUKWLOSA-N	1	3	311.386	-1.431	20	0		DAADHO
C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NC(N)=O	ZINC001216750452	780014693	/nfs/dbraw/zinc/01/46/93/780014693.db2.gz	ZRFPFNXHIUWBTE-OUAUKWLOSA-N	1	3	311.386	-1.431	20	0		DAADHO
CN1CCN(c2ncc(NC(=O)[C@@H]3C[C@@H](N)C[NH2+]3)cn2)CC1	ZINC001218579786	780035821	/nfs/dbraw/zinc/03/58/21/780035821.db2.gz	KSZWOPBDLLJBAN-PWSUYJOCSA-N	1	3	305.386	-1.144	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(C[NH3+])cc1	ZINC001219349520	780082091	/nfs/dbraw/zinc/08/20/91/780082091.db2.gz	MLYLWLKIKFVAKE-KWQFWETISA-N	1	3	307.354	-1.209	20	0		DAADHO
O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1COC2(CNC2)CN1	ZINC001219611133	780123945	/nfs/dbraw/zinc/12/39/45/780123945.db2.gz	WHNOXDZWOSSQPA-GZMMTYOYSA-N	1	3	308.304	-1.273	20	0		DAADHO
C[C@H](N)C(=O)N[C@H](CCC(=O)NC[C@H]1C[NH2+][C@H](C)C1)C(N)=O	ZINC001219685053	780133670	/nfs/dbraw/zinc/13/36/70/780133670.db2.gz	VTQIBNFGAFMESS-LMLFDSFASA-N	1	3	313.402	-1.802	20	0		DAADHO
C[C@H](N)C(=O)N1[C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2O)COC1(C)C	ZINC001219714825	780138103	/nfs/dbraw/zinc/13/81/03/780138103.db2.gz	ZFXJWJYEBVGIFT-QCLAVDOMSA-N	1	3	300.359	-2.254	20	0		DAADHO
N[C@H]1COC[C@H]1NC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2	ZINC001219719960	780138131	/nfs/dbraw/zinc/13/81/31/780138131.db2.gz	BIWPOWQMEFZHTH-GARJFASQSA-N	1	3	317.411	-1.757	20	0		DAADHO
C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1	ZINC001219736771	780139304	/nfs/dbraw/zinc/13/93/04/780139304.db2.gz	HBBWVEJMWJBIFQ-SRVKXCTJSA-N	1	3	310.398	-1.181	20	0		DAADHO
CC(C)C[C@H](N)C(=O)NCC(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1	ZINC001219736126	780139493	/nfs/dbraw/zinc/13/94/93/780139493.db2.gz	BARDJQTWSMFNIW-RYUDHWBXSA-N	1	3	312.414	-1.029	20	0		DAADHO
N[C@H]1CCCCN(CC(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)C1=O	ZINC001219737038	780139688	/nfs/dbraw/zinc/13/96/88/780139688.db2.gz	NJMTVJXOXNEABW-RYUDHWBXSA-N	1	3	310.398	-1.179	20	0		DAADHO
O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1COC2(CNC2)CN1	ZINC001219741798	780141404	/nfs/dbraw/zinc/14/14/04/780141404.db2.gz	UTPWIOZYKPIXSN-OLZOCXBDSA-N	1	3	324.425	-1.266	20	0		DAADHO
C[C@H](NC(=O)[C@@H](N)CO)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1	ZINC001219766068	780144449	/nfs/dbraw/zinc/14/44/49/780144449.db2.gz	MAQNLQJWFUGACB-USZNOCQGSA-N	1	3	313.402	-2.779	20	0		DAADHO
C[C@H](NC(=O)[C@@H](N)CO)C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1	ZINC001219766068	780144451	/nfs/dbraw/zinc/14/44/51/780144451.db2.gz	MAQNLQJWFUGACB-USZNOCQGSA-N	1	3	313.402	-2.779	20	0		DAADHO
C[C@H](NC(=O)[C@@H](N)CO)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1	ZINC001219766068	780144452	/nfs/dbraw/zinc/14/44/52/780144452.db2.gz	MAQNLQJWFUGACB-USZNOCQGSA-N	1	3	313.402	-2.779	20	0		DAADHO
NC(=O)NCCC[C@@H](N)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2	ZINC001219800260	780148136	/nfs/dbraw/zinc/14/81/36/780148136.db2.gz	INLNBFJAKXIOKR-GHMZBOCLSA-N	1	3	313.402	-1.353	20	0		DAADHO
O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@@H]1COC2(CNC2)CN1	ZINC001219799994	780148258	/nfs/dbraw/zinc/14/82/58/780148258.db2.gz	FXKKEQJELPCKFI-RYUDHWBXSA-N	1	3	310.398	-1.798	20	0		DAADHO
[NH3+][C@H]1CN[C@H](C(=O)NCc2cc(=O)n3c(n2)CNCCC3)C1	ZINC001219805625	780150003	/nfs/dbraw/zinc/15/00/03/780150003.db2.gz	AVDSSNWLHFTBES-KOLCDFICSA-N	1	3	306.370	-1.958	20	0		DAADHO
N[C@H]1C[NH2+][C@H](C(=O)NCc2cc(=O)n3c(n2)CNCCC3)C1	ZINC001219805625	780150009	/nfs/dbraw/zinc/15/00/09/780150009.db2.gz	AVDSSNWLHFTBES-KOLCDFICSA-N	1	3	306.370	-1.958	20	0		DAADHO
CC(C)C[C@H](N)C(=O)NCC(=O)NC[C@]12C[NH2+]C[C@H]1COC2	ZINC001219812493	780152123	/nfs/dbraw/zinc/15/21/23/780152123.db2.gz	CHYOIKHTQRQFGI-HUBLWGQQSA-N	1	3	312.414	-1.172	20	0		DAADHO
N[C@H]1CCCCN(CC(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)C1=O	ZINC001219831740	780153539	/nfs/dbraw/zinc/15/35/39/780153539.db2.gz	WRRBPXJQXMUJGK-NDBYEHHHSA-N	1	3	310.398	-1.181	20	0		DAADHO
NC(=O)NCCC[C@@H](N)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21	ZINC001219849910	780156014	/nfs/dbraw/zinc/15/60/14/780156014.db2.gz	JGXOTVINXMLNFB-NNYUYHANSA-N	1	3	313.402	-1.497	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12	ZINC001219856603	780157532	/nfs/dbraw/zinc/15/75/32/780157532.db2.gz	UDVXYUDVAGJLTG-CVPUBMOQSA-N	1	3	313.358	-3.203	20	0		DAADHO
COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CN1	ZINC001219965565	780167386	/nfs/dbraw/zinc/16/73/86/780167386.db2.gz	RUKZBNMXOURSFZ-UTUOFQBUSA-N	1	3	310.398	-1.120	20	0		DAADHO
COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CN1	ZINC001219965565	780167391	/nfs/dbraw/zinc/16/73/91/780167391.db2.gz	RUKZBNMXOURSFZ-UTUOFQBUSA-N	1	3	310.398	-1.120	20	0		DAADHO
COC(=O)C1(NC(=O)[C@@H](N)CC[S@@](C)=O)CC[NH2+]CC1	ZINC001220001273	780169261	/nfs/dbraw/zinc/16/92/61/780169261.db2.gz	OJDOEPFVZJZRQJ-GWNMQOMSSA-N	1	3	305.400	-1.506	20	0		DAADHO
CCOC(=O)c1nnc(CNC(=O)[C@@H](N)CSCC[NH3+])o1	ZINC001220011436	780171072	/nfs/dbraw/zinc/17/10/72/780171072.db2.gz	XKBKRTDGPHNXSV-ZETCQYMHSA-N	1	3	317.371	-1.118	20	0		DAADHO
COc1ncnc(OC)c1CNC(=O)[C@@H]1C[NH2+]CC12CNC2	ZINC001220045413	780173370	/nfs/dbraw/zinc/17/33/70/780173370.db2.gz	YOTRXZMZCNTRRN-JTQLQIEISA-N	1	3	307.354	-1.081	20	0		DAADHO
C[C@H](N)C(=O)N1[C@H](C(=O)NC2(C[NH3+])COC2)COC1(C)C	ZINC001220156691	780186214	/nfs/dbraw/zinc/18/62/14/780186214.db2.gz	GVKZBESVBLXYIJ-IUCAKERBSA-N	1	3	300.359	-1.859	20	0		DAADHO
C[N@@H+]1CCCN(CCNC(=O)[C@@H](N)CC[S@@](C)=O)CC1	ZINC001220306763	780201482	/nfs/dbraw/zinc/20/14/82/780201482.db2.gz	OOKKIZBUNKICPY-FKIZINRSSA-N	1	3	304.460	-1.164	20	0		DAADHO
C[N@H+]1CCCN(CCNC(=O)[C@@H](N)CC[S@@](C)=O)CC1	ZINC001220306763	780201487	/nfs/dbraw/zinc/20/14/87/780201487.db2.gz	OOKKIZBUNKICPY-FKIZINRSSA-N	1	3	304.460	-1.164	20	0		DAADHO
O=C(NCc1ncn2c1CNCCC2)C1=NO[C@@H]2C[NH2+]C[C@H]12	ZINC001220312095	780201682	/nfs/dbraw/zinc/20/16/82/780201682.db2.gz	WOYFCVGHRWQUNI-JOYOIKCWSA-N	1	3	304.354	-1.033	20	0		DAADHO
NC(=O)NCCC[C@H](N)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2	ZINC001220315191	780201942	/nfs/dbraw/zinc/20/19/42/780201942.db2.gz	AOAUSPIQEVMWAR-COPLHBTASA-N	1	3	313.402	-1.211	20	0		DAADHO
NC(=O)NCCC[C@@H](N)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2	ZINC001220315208	780202110	/nfs/dbraw/zinc/20/21/10/780202110.db2.gz	AOAUSPIQEVMWAR-WDMOLILDSA-N	1	3	313.402	-1.211	20	0		DAADHO
CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H](N)CSCC[NH3+]	ZINC001220479750	780217674	/nfs/dbraw/zinc/21/76/74/780217674.db2.gz	WSGMBZIEIGBFKP-IUCAKERBSA-N	1	3	307.416	-1.176	20	0		DAADHO
COCCOCCOCCOCCNC(=O)[C@@H](N)CCC[NH3+]	ZINC001220512406	780219601	/nfs/dbraw/zinc/21/96/01/780219601.db2.gz	OQDXWPCNONIIIR-ZDUSSCGKSA-N	1	3	321.418	-1.135	20	0		DAADHO
COCCOCCOCCOCCNC(=O)[C@H](N)CCC[NH3+]	ZINC001220512405	780219993	/nfs/dbraw/zinc/21/99/93/780219993.db2.gz	OQDXWPCNONIIIR-CYBMUJFWSA-N	1	3	321.418	-1.135	20	0		DAADHO
CN(CC[NH3+])CCNC(=O)[C@@H]1CCS(=O)(=O)C12CNC2	ZINC001220516223	780221794	/nfs/dbraw/zinc/22/17/94/780221794.db2.gz	SOEBDAJXITZBBW-JTQLQIEISA-N	1	3	304.416	-2.230	20	0		DAADHO
CCOC(=O)C1=C(NC(=O)COCCOCC[NH3+])CCNC1	ZINC001220521915	780223309	/nfs/dbraw/zinc/22/33/09/780223309.db2.gz	TYMVWPXSGZEJOB-UHFFFAOYSA-N	1	3	315.370	-1.095	20	0		DAADHO
CCOC(=O)CN(CC[NH3+])C(=O)[C@H](N)CCCNC(N)=O	ZINC001220583463	780230972	/nfs/dbraw/zinc/23/09/72/780230972.db2.gz	LUTIPAFARZDBGP-SECBINFHSA-N	1	3	303.363	-1.887	20	0		DAADHO
N[C@H](CCC[NH3+])C(=O)NCCCN1CCS(=O)(=O)CC1	ZINC001220756957	780244871	/nfs/dbraw/zinc/24/48/71/780244871.db2.gz	OZDXPEALPGEJAH-LLVKDONJSA-N	1	3	306.432	-1.711	20	0		DAADHO
CCOC(=O)C1=C(NC(=O)[C@H](N)CCCNC(N)=O)C[NH2+]C1	ZINC001220827672	780250475	/nfs/dbraw/zinc/25/04/75/780250475.db2.gz	XINOGLBUFYUYMU-SECBINFHSA-N	1	3	313.358	-1.701	20	0		DAADHO
N[C@@H](CCCC[NH3+])C(=O)NCCOCCN1C(=O)C=CC1=O	ZINC001220878548	780256070	/nfs/dbraw/zinc/25/60/70/780256070.db2.gz	HDJFNOSLHSJBFI-NSHDSACASA-N	1	3	312.370	-1.500	20	0		DAADHO
N[C@H](C(=O)NCCOCCN1C(=O)C=CC1=O)C1CC[NH2+]CC1	ZINC001220878902	780256307	/nfs/dbraw/zinc/25/63/07/780256307.db2.gz	WAIMTBKHUZOQJZ-AWEZNQCLSA-N	1	3	324.381	-1.629	20	0		DAADHO
Cn1cncc1C[C@H](N)C(=O)NCCN(CC[NH3+])N(O)N=O	ZINC001220901372	780257145	/nfs/dbraw/zinc/25/71/45/780257145.db2.gz	XKIYWAUMRFKCBU-JTQLQIEISA-N	1	3	314.350	-2.046	20	0		DAADHO
O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C12CNC2	ZINC001220936131	780261283	/nfs/dbraw/zinc/26/12/83/780261283.db2.gz	CVAUDJLNMTXOCZ-MNOVXSKESA-N	1	3	317.411	-1.742	20	0		DAADHO
COC(=O)CC[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)C(N)=O	ZINC001221018475	780270903	/nfs/dbraw/zinc/27/09/03/780270903.db2.gz	DEGLDQSSZMCRQS-ONGXEEELSA-N	1	3	300.359	-1.763	20	0		DAADHO
COCCOc1nccc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)n1	ZINC001221157809	780277672	/nfs/dbraw/zinc/27/76/72/780277672.db2.gz	OHQLVINJHLKDCO-GFCCVEGCSA-N	1	3	321.381	-1.073	20	0		DAADHO
COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1COC2(CNC2)CN1	ZINC001221188346	780281508	/nfs/dbraw/zinc/28/15/08/780281508.db2.gz	SXTQWLQVAQXQHQ-UWVGGRQHSA-N	1	3	300.359	-2.287	20	0		DAADHO
CC(=O)OCN1CCC(NC(=O)[C@@H]2C[NH2+]CC23CNC3)CC1	ZINC001221258376	780285205	/nfs/dbraw/zinc/28/52/05/780285205.db2.gz	GQYPQMNTQYBEHT-ZDUSSCGKSA-N	1	3	310.398	-1.103	20	0		DAADHO
CN1CCC[C@@](C)(NC(=O)CN(CC[NH3+])S(C)(=O)=O)C1	ZINC001221241327	780285400	/nfs/dbraw/zinc/28/54/00/780285400.db2.gz	SOSWOIFYOBEQPV-GFCCVEGCSA-N	1	3	306.432	-1.193	20	0		DAADHO
C[NH+]1CCC(CO)(NC(=O)[C@H](N)CCCNC(N)=O)CC1	ZINC001221402268	780291617	/nfs/dbraw/zinc/29/16/17/780291617.db2.gz	BQGKECLNOIRTEX-SNVBAGLBSA-N	1	3	301.391	-1.665	20	0		DAADHO
O=S(=O)(NCc1nnn2c1CNCCC2)[C@H]1CC[NH2+]C1	ZINC001238247807	780436556	/nfs/dbraw/zinc/43/65/56/780436556.db2.gz	OBBKHQQGKDXYTM-VIFPVBQESA-N	1	3	300.388	-1.447	20	0		DAADHO
CCOC(=O)C[C@@]1([N-]S(=O)(=O)[C@H]2CC[NH2+]C2)CC[NH2+]C1	ZINC001238220478	780436744	/nfs/dbraw/zinc/43/67/44/780436744.db2.gz	LASOYWHXNLBOGX-JQWIXIFHSA-N	1	3	305.400	-1.047	20	0		DAADHO
COC(=O)[C@H]([N-]S(=O)(=O)C1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1	ZINC001238898260	780439544	/nfs/dbraw/zinc/43/95/44/780439544.db2.gz	PQTCJNQJGFDUHM-MWLCHTKSSA-N	1	3	305.400	-1.191	20	0		DAADHO
COC(=O)[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@@H]1N	ZINC001239133001	780443734	/nfs/dbraw/zinc/44/37/34/780443734.db2.gz	AULFYQMNXDBEQD-QWRGUYRKSA-N	1	3	305.400	-1.252	20	0		DAADHO
COC(=O)[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@H]1N	ZINC001239133003	780444008	/nfs/dbraw/zinc/44/40/08/780444008.db2.gz	AULFYQMNXDBEQD-WDEREUQCSA-N	1	3	305.400	-1.252	20	0		DAADHO
[NH3+][C@@H](Cc1ccccc1)[C@H](O)CNCCN1CCNCC1=O	ZINC001246009754	780447789	/nfs/dbraw/zinc/44/77/89/780447789.db2.gz	HDSHNJWSNTVWRT-LSDHHAIUSA-N	1	3	306.410	-1.061	20	0		DAADHO
O[C@H](CNCc1nnc2n1CCCNC2)CC1(O)CC[NH2+]CC1	ZINC001245988811	780448132	/nfs/dbraw/zinc/44/81/32/780448132.db2.gz	WSWJPWJJJSLFLR-LBPRGKRZSA-N	1	3	324.429	-1.274	20	0		DAADHO
CCOC(=O)[C@@H]1CNCCN1C[C@@H](O)CC1(O)CC[NH2+]CC1	ZINC001246031591	780448268	/nfs/dbraw/zinc/44/82/68/780448268.db2.gz	REMOMBQAXNFYBY-STQMWFEESA-N	1	3	315.414	-1.311	20	0		DAADHO
O=C([C@@H]1C[C@H](N2C[C@H]3CNC[C@@H](C2)O3)C[NH2+]1)N1CCSC1	ZINC001246676344	780456946	/nfs/dbraw/zinc/45/69/46/780456946.db2.gz	DGLFXGLYRVDWJO-RVMXOQNASA-N	1	3	312.439	-1.078	20	0		DAADHO
O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1C[C@H]1C[NH2+]CCO1)O3	ZINC001247007035	780458047	/nfs/dbraw/zinc/45/80/47/780458047.db2.gz	AUXCKYIBTRPQAJ-WYUUTHIRSA-N	1	3	303.384	-1.880	20	0		DAADHO
O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1C[NH2+]CC[C@@H]1F)O3	ZINC001247007143	780458522	/nfs/dbraw/zinc/45/85/22/780458522.db2.gz	BNGIAVCDENVABY-LVEVGFFFSA-N	1	3	305.375	-1.169	20	0		DAADHO
O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1COC2(C[NH2+]C2)C1)O3	ZINC001247013759	780459130	/nfs/dbraw/zinc/45/91/30/780459130.db2.gz	XWDKGZNTKZYYDS-NOHGZBONSA-N	1	3	315.395	-1.738	20	0		DAADHO
C[C@@H]1O[C@@H](OCCN[C@H]2CCC[N@H+](C)CC2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC001254514071	780487945	/nfs/dbraw/zinc/48/79/45/780487945.db2.gz	IYPWQAOHUUSWPK-JRULLXGZSA-N	1	3	318.414	-1.096	20	0		DAADHO
C[C@@H]1O[C@@H](OCCN[C@H]2CCC[N@@H+](C)CC2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC001254514071	780487948	/nfs/dbraw/zinc/48/79/48/780487948.db2.gz	IYPWQAOHUUSWPK-JRULLXGZSA-N	1	3	318.414	-1.096	20	0		DAADHO
CN(C[C@@H](O)CN[C@@H]1CCC(=O)NC1=O)C(=O)CC[NH+](C)C	ZINC001278804975	780490390	/nfs/dbraw/zinc/49/03/90/780490390.db2.gz	VKXWRXRUMXHINR-WDEREUQCSA-N	1	3	314.386	-1.848	20	0		DAADHO
[NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1	ZINC001262067032	780567110	/nfs/dbraw/zinc/56/71/10/780567110.db2.gz	QIGJNHHILZPIJQ-FDYHWXHSSA-N	1	3	310.398	-1.181	20	0		DAADHO
O=C(C(=O)N1CCNCCNCC1)N1CCC[N@@H+]2CCC[C@H]2C1	ZINC001262203395	780568291	/nfs/dbraw/zinc/56/82/91/780568291.db2.gz	SMCWYMZCEQHIQR-AWEZNQCLSA-N	1	3	323.441	-1.296	20	0		DAADHO
O=C(C(=O)N1CCNCCNCC1)N1CCC[N@H+]2CCC[C@H]2C1	ZINC001262203395	780568295	/nfs/dbraw/zinc/56/82/95/780568295.db2.gz	SMCWYMZCEQHIQR-AWEZNQCLSA-N	1	3	323.441	-1.296	20	0		DAADHO
NC(=O)CNCCN(CCO)C(=O)C12CCC[NH+](CCC1)C2	ZINC001279738213	780626374	/nfs/dbraw/zinc/62/63/74/780626374.db2.gz	RLWAZOISSLNRLO-UHFFFAOYSA-N	1	3	312.414	-1.242	20	0		DAADHO
CN(CCOCCN[C@H]1CCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001284877638	780842348	/nfs/dbraw/zinc/84/23/48/780842348.db2.gz	HFJKDYNSQUWVOP-OLZOCXBDSA-N	1	3	312.414	-1.109	20	0		DAADHO
CN(CCOCCN[C@H]1CCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001284877638	780842354	/nfs/dbraw/zinc/84/23/54/780842354.db2.gz	HFJKDYNSQUWVOP-OLZOCXBDSA-N	1	3	312.414	-1.109	20	0		DAADHO
NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1	ZINC001091150830	781379294	/nfs/dbraw/zinc/37/92/94/781379294.db2.gz	AWXTVWIYMPQGFQ-RRHJKOLHSA-N	1	3	322.409	-1.181	20	0		DAADHO
C[NH+](C)CCOCC(=O)NCCNCC(=O)NCC1CC1	ZINC001147842323	781458288	/nfs/dbraw/zinc/45/82/88/781458288.db2.gz	RMVHXPQJNLCISB-UHFFFAOYSA-N	1	3	300.403	-1.203	20	0		DAADHO
COCCCNC(=O)CNCCNC(=O)COCC[NH+](C)C	ZINC001147848673	781458522	/nfs/dbraw/zinc/45/85/22/781458522.db2.gz	SCCVIYRZXARXKD-UHFFFAOYSA-N	1	3	318.418	-1.577	20	0		DAADHO
CN1CCC[C@H](NCCNC(=O)COCC[NH+](C)C)C1=O	ZINC001147848409	781458759	/nfs/dbraw/zinc/45/87/59/781458759.db2.gz	NQIFKSSCYCHFSK-LBPRGKRZSA-N	1	3	300.403	-1.109	20	0		DAADHO
C[NH+](C)CCOCC(=O)NCCNCCNS(C)(=O)=O	ZINC001147893490	781458873	/nfs/dbraw/zinc/45/88/73/781458873.db2.gz	REDOREAVPFUJMP-UHFFFAOYSA-N	1	3	310.420	-2.180	20	0		DAADHO
CN(C(=O)CNCCNC(=O)COCC[NH+](C)C)C1CC1	ZINC001147841821	781459342	/nfs/dbraw/zinc/45/93/42/781459342.db2.gz	JOWBMANWUNKJAD-UHFFFAOYSA-N	1	3	300.403	-1.109	20	0		DAADHO
CCS(=O)(=O)NCCNCCNC(=O)C12CC[NH+](CC1)C2	ZINC001147994829	781463463	/nfs/dbraw/zinc/46/34/63/781463463.db2.gz	QCPNOVVVJFMBNH-UHFFFAOYSA-N	1	3	318.443	-1.273	20	0		DAADHO
CCCN(C)CC(=O)NCC[NH2+]CCNS(=O)(=O)CC	ZINC001148643381	781476090	/nfs/dbraw/zinc/47/60/90/781476090.db2.gz	XUOTXXBSWYWYMI-UHFFFAOYSA-N	1	3	308.448	-1.027	20	0		DAADHO
CCCN(C)CC(=O)NCCC[NH2+]CCNS(C)(=O)=O	ZINC001171762563	781587613	/nfs/dbraw/zinc/58/76/13/781587613.db2.gz	GFQXFGAHTKPHPQ-UHFFFAOYSA-N	1	3	308.448	-1.027	20	0		DAADHO
CC(C)N(C)CC(=O)NCCC[NH2+]CCNS(C)(=O)=O	ZINC001176975768	781628757	/nfs/dbraw/zinc/62/87/57/781628757.db2.gz	XQGVSJULPORLGT-UHFFFAOYSA-N	1	3	308.448	-1.028	20	0		DAADHO
C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1CCCN1C	ZINC001178356249	781645626	/nfs/dbraw/zinc/64/56/26/781645626.db2.gz	KHQHLDNENFMEIU-GARJFASQSA-N	1	3	311.386	-1.146	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C	ZINC001179481532	781659995	/nfs/dbraw/zinc/65/99/95/781659995.db2.gz	IKUFOUJSQNPFEQ-QWRGUYRKSA-N	1	3	313.402	-1.027	20	0		DAADHO
CNC(=O)CN[C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C	ZINC001179929593	781664797	/nfs/dbraw/zinc/66/47/97/781664797.db2.gz	QJZNPSBDCXRHNJ-RYUDHWBXSA-N	1	3	300.403	-1.110	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NC[C@H]2CCOC2)C1	ZINC001151066572	781694586	/nfs/dbraw/zinc/69/45/86/781694586.db2.gz	WMMINEKGYLWNDN-OLZOCXBDSA-N	1	3	312.414	-1.203	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NC[C@H]2CCOC2)C1	ZINC001151066572	781694590	/nfs/dbraw/zinc/69/45/90/781694590.db2.gz	WMMINEKGYLWNDN-OLZOCXBDSA-N	1	3	312.414	-1.203	20	0		DAADHO
CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H](NC(C)=O)[C@@H](C)O	ZINC001183703564	781731575	/nfs/dbraw/zinc/73/15/75/781731575.db2.gz	VYXUIZXIKXFGCY-KOLCDFICSA-N	1	3	301.391	-1.064	20	0		DAADHO
C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(=O)NC(N)=O	ZINC001184878077	781754079	/nfs/dbraw/zinc/75/40/79/781754079.db2.gz	ZARRJSQVYOIHSW-HBNTYKKESA-N	1	3	311.386	-1.146	20	0		DAADHO
C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(=O)NC(N)=O	ZINC001184878076	781754552	/nfs/dbraw/zinc/75/45/52/781754552.db2.gz	ZARRJSQVYOIHSW-GMTAPVOTSA-N	1	3	311.386	-1.146	20	0		DAADHO
CC(C)[C@H](C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1)[NH+](C)C	ZINC001185446913	781760501	/nfs/dbraw/zinc/76/05/01/781760501.db2.gz	UOCMLNOHTOEFOR-ZYHUDNBSSA-N	1	3	313.402	-1.042	20	0		DAADHO
C[NH+](C)CCOCC(=O)N1CC[C@@H](NCCS(C)(=O)=O)C1	ZINC001187115536	781796018	/nfs/dbraw/zinc/79/60/18/781796018.db2.gz	LDBWLIQNUFZQHP-GFCCVEGCSA-N	1	3	321.443	-1.200	20	0		DAADHO
C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)NC(N)=O	ZINC001187843144	781808289	/nfs/dbraw/zinc/80/82/89/781808289.db2.gz	VHRTXUAECGXEFG-GHMZBOCLSA-N	1	3	311.386	-1.144	20	0		DAADHO
CNC(=O)CNC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1	ZINC001376875425	921741871	/nfs/dbraw/zinc/74/18/71/921741871.db2.gz	UYIQYDZLKIGSEK-GFCCVEGCSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[NH+](C)CCC(=O)NC[C@@H](O)CN[C@H]1CCC(=O)NC1=O	ZINC001320271654	916490623	/nfs/dbraw/zinc/49/06/23/916490623.db2.gz	UATLTZLXSHFWGX-UWVGGRQHSA-N	1	3	300.359	-2.190	20	0		DAADHO
C[C@@H]1CC[N@H+](CC(=O)NC/C=C/CNCC(=O)NC(N)=O)C1	ZINC001321249145	916558816	/nfs/dbraw/zinc/55/88/16/916558816.db2.gz	IZCCMVPMTZSFAP-KXMPLOMGSA-N	1	3	311.386	-1.215	20	0		DAADHO
C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/CNCC(=O)NC(N)=O)C1	ZINC001321249145	916558827	/nfs/dbraw/zinc/55/88/27/916558827.db2.gz	IZCCMVPMTZSFAP-KXMPLOMGSA-N	1	3	311.386	-1.215	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@](C)(O)C1	ZINC001326993222	916976771	/nfs/dbraw/zinc/97/67/71/916976771.db2.gz	UHLCXBIZPOTIFR-HNNXBMFYSA-N	1	3	314.430	-1.079	20	0		DAADHO
CN1CCN(C[C@@H](O)CNC[C@@H](O)C[NH+]2CCCC2)CC1	ZINC001328400602	917084104	/nfs/dbraw/zinc/08/41/04/917084104.db2.gz	IXUXKZIJYMMRLM-CABCVRRESA-N	1	3	300.447	-1.359	20	0		DAADHO
CN1CCN(C[C@H](O)CNC[C@H](O)C[NH+]2CCCC2)CC1	ZINC001328400605	917085140	/nfs/dbraw/zinc/08/51/40/917085140.db2.gz	IXUXKZIJYMMRLM-LSDHHAIUSA-N	1	3	300.447	-1.359	20	0		DAADHO
CN1C(=O)[C@H]2C[N@H+](C[C@H]3CCCN(C(=O)CN)C3)C[C@H]2C1=O	ZINC001329744335	917197404	/nfs/dbraw/zinc/19/74/04/917197404.db2.gz	XVYOUMJOSCIAEU-UTUOFQBUSA-N	1	3	308.382	-1.270	20	0		DAADHO
CN1C(=O)[C@H]2C[N@@H+](C[C@H]3CCCN(C(=O)CN)C3)C[C@H]2C1=O	ZINC001329744335	917197419	/nfs/dbraw/zinc/19/74/19/917197419.db2.gz	XVYOUMJOSCIAEU-UTUOFQBUSA-N	1	3	308.382	-1.270	20	0		DAADHO
CCN(CC[NH3+])C(=O)C(=O)NCCCCN1CCN(C)CC1	ZINC001331738596	917326376	/nfs/dbraw/zinc/32/63/76/917326376.db2.gz	MSRUDZKWVZHEEW-UHFFFAOYSA-N	1	3	313.446	-1.063	20	0		DAADHO
CN1CCN(C2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)CC1	ZINC001332315400	917363745	/nfs/dbraw/zinc/36/37/45/917363745.db2.gz	BQGNBTZOESHAQC-ZDUSSCGKSA-N	1	3	323.441	-1.297	20	0		DAADHO
CN(C[C@@H](O)CNCCS(C)(=O)=O)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001332603163	917391908	/nfs/dbraw/zinc/39/19/08/917391908.db2.gz	VFUWMBHNOCWXCM-RYUDHWBXSA-N	1	3	321.443	-1.608	20	0		DAADHO
CN(C[C@@H](O)CNCCS(C)(=O)=O)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001332603163	917391923	/nfs/dbraw/zinc/39/19/23/917391923.db2.gz	VFUWMBHNOCWXCM-RYUDHWBXSA-N	1	3	321.443	-1.608	20	0		DAADHO
C[NH2+]CCNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1	ZINC001337472183	917621988	/nfs/dbraw/zinc/62/19/88/917621988.db2.gz	VTPRTOHGKZDUJE-UHFFFAOYSA-N	1	3	311.430	-1.440	20	0		DAADHO
COCCN(C)CCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O	ZINC001341685054	917763021	/nfs/dbraw/zinc/76/30/21/917763021.db2.gz	RDNUXKGPCFIBFG-LBPRGKRZSA-N	1	3	300.403	-1.122	20	0		DAADHO
C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCNCCNCC2)CC[N@@H+]1C	ZINC001345911105	917865467	/nfs/dbraw/zinc/86/54/67/917865467.db2.gz	IDBLTGFWDZPHMR-OLZOCXBDSA-N	1	3	311.430	-1.393	20	0		DAADHO
C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCNCCNCC2)CC[N@H+]1C	ZINC001345911105	917865479	/nfs/dbraw/zinc/86/54/79/917865479.db2.gz	IDBLTGFWDZPHMR-OLZOCXBDSA-N	1	3	311.430	-1.393	20	0		DAADHO
CN1CCN(CCCNC(=O)c2cn(CCC[NH3+])nn2)CC1	ZINC001346104988	917869400	/nfs/dbraw/zinc/86/94/00/917869400.db2.gz	NUJXSTXTAAZWPD-UHFFFAOYSA-N	1	3	309.418	-1.006	20	0		DAADHO
C[C@@H](CN1CCN(C)CC1)[NH2+]C[C@@H](O)CN1CCN(C)CC1	ZINC001348957468	917983574	/nfs/dbraw/zinc/98/35/74/917983574.db2.gz	GYKKRXVVQDHGCD-JKSUJKDBSA-N	1	3	313.490	-1.180	20	0		DAADHO
CN1CCN(C2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)CC1	ZINC001353302570	918148978	/nfs/dbraw/zinc/14/89/78/918148978.db2.gz	KSYWVASEEWRCMN-UHFFFAOYSA-N	1	3	309.414	-1.687	20	0		DAADHO
O=C(N1CCNCCNCC1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2	ZINC001355016918	918196408	/nfs/dbraw/zinc/19/64/08/918196408.db2.gz	WODKTKFKQWENAW-AAEUAGOBSA-N	1	3	316.427	-2.358	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](NCC(=O)NC(N)=O)C2CC2)C1	ZINC001366075201	919277415	/nfs/dbraw/zinc/27/74/15/919277415.db2.gz	FWLXLCVMFIBBSP-GHMZBOCLSA-N	1	3	311.386	-1.383	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)NC[C@@H](NCC(=O)NC(N)=O)C2CC2)C1	ZINC001366075201	919277428	/nfs/dbraw/zinc/27/74/28/919277428.db2.gz	FWLXLCVMFIBBSP-GHMZBOCLSA-N	1	3	311.386	-1.383	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001366339133	919313959	/nfs/dbraw/zinc/31/39/59/919313959.db2.gz	BZDGEORLTAADNR-MNOVXSKESA-N	1	3	313.402	-1.122	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001366339133	919313973	/nfs/dbraw/zinc/31/39/73/919313973.db2.gz	BZDGEORLTAADNR-MNOVXSKESA-N	1	3	313.402	-1.122	20	0		DAADHO
C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)CC[N@@H+]1C	ZINC001366379264	919320520	/nfs/dbraw/zinc/32/05/20/919320520.db2.gz	NHDJLTHCMHOWPQ-OUAUKWLOSA-N	1	3	311.386	-1.288	20	0		DAADHO
C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)CC[N@H+]1C	ZINC001366379264	919320537	/nfs/dbraw/zinc/32/05/37/919320537.db2.gz	NHDJLTHCMHOWPQ-OUAUKWLOSA-N	1	3	311.386	-1.288	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CN1CCCC1	ZINC001366774081	919377670	/nfs/dbraw/zinc/37/76/70/919377670.db2.gz	JJWVCQVTCGIUPV-LLVKDONJSA-N	1	3	313.402	-1.026	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCN1C	ZINC001366765109	919378100	/nfs/dbraw/zinc/37/81/00/919378100.db2.gz	RXZOFUMQVGYLFX-GHMZBOCLSA-N	1	3	313.402	-1.027	20	0		DAADHO
CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC(=O)NC	ZINC001367140968	919439614	/nfs/dbraw/zinc/43/96/14/919439614.db2.gz	OAXMSAUCYTXNAQ-QWRGUYRKSA-N	1	3	313.402	-1.122	20	0		DAADHO
CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(=O)NC	ZINC001367140968	919439627	/nfs/dbraw/zinc/43/96/27/919439627.db2.gz	OAXMSAUCYTXNAQ-QWRGUYRKSA-N	1	3	313.402	-1.122	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C	ZINC001367371679	919461992	/nfs/dbraw/zinc/46/19/92/919461992.db2.gz	CXSVAGVYCIUSKM-WDEREUQCSA-N	1	3	313.402	-1.027	20	0		DAADHO
CC[N@H+](C)CCC(=O)NC[C@@H](O)CN[C@H]1CCN(C)C1=O	ZINC001367626942	919539982	/nfs/dbraw/zinc/53/99/82/919539982.db2.gz	XRBCFEHEACKUFF-RYUDHWBXSA-N	1	3	300.403	-1.374	20	0		DAADHO
CC[N@@H+](C)CCC(=O)NC[C@@H](O)CN[C@H]1CCN(C)C1=O	ZINC001367626942	919539997	/nfs/dbraw/zinc/53/99/97/919539997.db2.gz	XRBCFEHEACKUFF-RYUDHWBXSA-N	1	3	300.403	-1.374	20	0		DAADHO
CC[N@H+](C)CCC(=O)NC[C@@H](O)CN[C@@H]1CCN(C)C1=O	ZINC001367626940	919540163	/nfs/dbraw/zinc/54/01/63/919540163.db2.gz	XRBCFEHEACKUFF-NWDGAFQWSA-N	1	3	300.403	-1.374	20	0		DAADHO
CC[N@@H+](C)CCC(=O)NC[C@@H](O)CN[C@@H]1CCN(C)C1=O	ZINC001367626940	919540179	/nfs/dbraw/zinc/54/01/79/919540179.db2.gz	XRBCFEHEACKUFF-NWDGAFQWSA-N	1	3	300.403	-1.374	20	0		DAADHO
CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1)N(C)C	ZINC001367626034	919541909	/nfs/dbraw/zinc/54/19/09/919541909.db2.gz	UALSGDIZRCUTNX-NEPJUHHUSA-N	1	3	300.403	-1.374	20	0		DAADHO
C[C@@H]1CN(CCO)CCN1C(=O)NC[C@H]1C[N@H+](C)CCN1C	ZINC001368266321	919651581	/nfs/dbraw/zinc/65/15/81/919651581.db2.gz	IDEDLZWRMMUSQJ-KGLIPLIRSA-N	1	3	313.446	-1.060	20	0		DAADHO
C[C@@H]1CN(CCO)CCN1C(=O)NC[C@H]1C[N@@H+](C)CCN1C	ZINC001368266321	919651587	/nfs/dbraw/zinc/65/15/87/919651587.db2.gz	IDEDLZWRMMUSQJ-KGLIPLIRSA-N	1	3	313.446	-1.060	20	0		DAADHO
C[C@H]1CN(CCO)CCN1C(=O)NC[C@H]1C[N@H+](C)CCN1C	ZINC001368266317	919651874	/nfs/dbraw/zinc/65/18/74/919651874.db2.gz	IDEDLZWRMMUSQJ-KBPBESRZSA-N	1	3	313.446	-1.060	20	0		DAADHO
C[C@H]1CN(CCO)CCN1C(=O)NC[C@H]1C[N@@H+](C)CCN1C	ZINC001368266317	919651886	/nfs/dbraw/zinc/65/18/86/919651886.db2.gz	IDEDLZWRMMUSQJ-KBPBESRZSA-N	1	3	313.446	-1.060	20	0		DAADHO
CC(C)N(C)CC(=O)N(CCO)CC[NH2+][C@@H]1CCN(C)C1=O	ZINC001368415395	919717172	/nfs/dbraw/zinc/71/71/72/919717172.db2.gz	UITOLZZHDCIDTF-CYBMUJFWSA-N	1	3	314.430	-1.032	20	0		DAADHO
CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NC)C1)N(C)C	ZINC001368513581	919735240	/nfs/dbraw/zinc/73/52/40/919735240.db2.gz	NFWUZZIQKKVGBT-NWDGAFQWSA-N	1	3	300.403	-1.110	20	0		DAADHO
C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1	ZINC001369147641	919823332	/nfs/dbraw/zinc/82/33/32/919823332.db2.gz	BUFNOUQZZQNSKJ-RYUDHWBXSA-N	1	3	310.398	-1.227	20	0		DAADHO
CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)CCC[NH+](C)C	ZINC001369483791	919955706	/nfs/dbraw/zinc/95/57/06/919955706.db2.gz	MGYKXMNFKDDXCN-NEPJUHHUSA-N	1	3	300.403	-1.374	20	0		DAADHO
CC(C)[C@@H](C(=O)NC[C@H](C)NCC(=O)NC(N)=O)[NH+](C)C	ZINC001371435058	920251310	/nfs/dbraw/zinc/25/13/10/920251310.db2.gz	WVOFXOLNMVTTIF-ONGXEEELSA-N	1	3	301.391	-1.138	20	0		DAADHO
CC(C)[C@H](C(=O)NC[C@H](C)NCC(=O)NC(N)=O)[NH+](C)C	ZINC001371435051	920251673	/nfs/dbraw/zinc/25/16/73/920251673.db2.gz	WVOFXOLNMVTTIF-GXSJLCMTSA-N	1	3	301.391	-1.138	20	0		DAADHO
C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCOCC1	ZINC001371473836	920266944	/nfs/dbraw/zinc/26/69/44/920266944.db2.gz	OMDDTNYLSMCCLW-STQMWFEESA-N	1	3	312.414	-1.109	20	0		DAADHO
C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCOCC1	ZINC001371473836	920266957	/nfs/dbraw/zinc/26/69/57/920266957.db2.gz	OMDDTNYLSMCCLW-STQMWFEESA-N	1	3	312.414	-1.109	20	0		DAADHO
CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)N(C)C	ZINC001371472273	920267135	/nfs/dbraw/zinc/26/71/35/920267135.db2.gz	SFFAVAVHZGKUSB-FRRDWIJNSA-N	1	3	314.430	-1.034	20	0		DAADHO
C[C@@H](NCCN(C)C(=O)CCC[NH+](C)C)C(=O)NC(N)=O	ZINC001372948939	920438797	/nfs/dbraw/zinc/43/87/97/920438797.db2.gz	RMTRNWSDCCCENN-SNVBAGLBSA-N	1	3	301.391	-1.040	20	0		DAADHO
C[C@H](NCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)NC(N)=O	ZINC001372943699	920439104	/nfs/dbraw/zinc/43/91/04/920439104.db2.gz	HFCUEQNUCXHGEI-JTQLQIEISA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@H](NCCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)NC(N)=O	ZINC001372953585	920441072	/nfs/dbraw/zinc/44/10/72/920441072.db2.gz	YXGSORVSCZPLFT-JTQLQIEISA-N	1	3	313.402	-1.040	20	0		DAADHO
C[NH+]1CCC(C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)CC1	ZINC001374641077	920669080	/nfs/dbraw/zinc/66/90/80/920669080.db2.gz	ILYWYRZPOQNWGX-ZDUSSCGKSA-N	1	3	312.414	-1.327	20	0		DAADHO
C[NH+]1CCC(OCC(=O)NC[C@@H](O)CNCC(N)=O)CC1	ZINC001374654323	920675506	/nfs/dbraw/zinc/67/55/06/920675506.db2.gz	AEGFMFCNWOSAAR-JTQLQIEISA-N	1	3	302.375	-2.351	20	0		DAADHO
CCCN(C)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O	ZINC001374674940	920687915	/nfs/dbraw/zinc/68/79/15/920687915.db2.gz	SOAGWDVFCSRURD-NWDGAFQWSA-N	1	3	300.403	-1.327	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@@H](NC(=O)CC[NH+](C)C)C1CC1	ZINC001375250783	920760120	/nfs/dbraw/zinc/76/01/20/920760120.db2.gz	HCFHALVECQSJPY-LLVKDONJSA-N	1	3	313.402	-1.122	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@H]1CCCN1C(=O)CC[NH+](C)C	ZINC001375765820	920805965	/nfs/dbraw/zinc/80/59/65/920805965.db2.gz	SDNHLBVWBHHNFA-LLVKDONJSA-N	1	3	313.402	-1.026	20	0		DAADHO
NC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1	ZINC001375768833	920808412	/nfs/dbraw/zinc/80/84/12/920808412.db2.gz	LXMWURXCBGVZMW-LLVKDONJSA-N	1	3	311.386	-1.142	20	0		DAADHO
CC[C@H](C(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O)N(C)C	ZINC001376544527	920974759	/nfs/dbraw/zinc/97/47/59/920974759.db2.gz	FUIWEQTYILWSAW-VXGBXAGGSA-N	1	3	300.403	-1.374	20	0		DAADHO
CCCN(C)CC(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(N)=O	ZINC001377592193	921842015	/nfs/dbraw/zinc/84/20/15/921842015.db2.gz	UCGYHRLLDSXHBE-SNVBAGLBSA-N	1	3	301.391	-1.040	20	0		DAADHO
CN(CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)C1CCC1	ZINC001379206503	922070804	/nfs/dbraw/zinc/07/08/04/922070804.db2.gz	ODECZFPZFBALPQ-QWHCGFSZSA-N	1	3	312.414	-1.184	20	0		DAADHO
CN(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1)C1CCC1	ZINC001379208863	922074829	/nfs/dbraw/zinc/07/48/29/922074829.db2.gz	UAOISUYWBZMKIJ-ZDUSSCGKSA-N	1	3	312.414	-1.230	20	0		DAADHO
CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C1(N(C)C)CCC1	ZINC001379208303	922074955	/nfs/dbraw/zinc/07/49/55/922074955.db2.gz	SFAPJPITFKEJOU-GHMZBOCLSA-N	1	3	300.403	-1.328	20	0		DAADHO
C[C@H]([NH2+]C[C@H](O)CNC(=O)CN(C)CC(C)(C)C)C(N)=O	ZINC001379241043	922092616	/nfs/dbraw/zinc/09/26/16/922092616.db2.gz	JPBWEGQIDMNYFT-QWRGUYRKSA-N	1	3	302.419	-1.095	20	0		DAADHO
CCNC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001379258936	922104113	/nfs/dbraw/zinc/10/41/13/922104113.db2.gz	NHBUDPULMZLTDF-NWDGAFQWSA-N	1	3	300.403	-1.469	20	0		DAADHO
CCNC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001379258936	922104122	/nfs/dbraw/zinc/10/41/22/922104122.db2.gz	NHBUDPULMZLTDF-NWDGAFQWSA-N	1	3	300.403	-1.469	20	0		DAADHO
CNC(=O)CNC[C@H](O)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1	ZINC001379295809	922118914	/nfs/dbraw/zinc/11/89/14/922118914.db2.gz	SMQWWLPUHYXINT-GXTWGEPZSA-N	1	3	314.430	-1.081	20	0		DAADHO
CN(C)C1(C(=O)NC[C@H](CO)[NH2+]CCn2cncn2)CCC1	ZINC001379413977	922164792	/nfs/dbraw/zinc/16/47/92/922164792.db2.gz	SXVICGZGXLTHGW-GFCCVEGCSA-N	1	3	310.402	-1.171	20	0		DAADHO
C[C@@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)C1	ZINC001379473864	922192994	/nfs/dbraw/zinc/19/29/94/922192994.db2.gz	COYHCVCNWJUPRL-OLZOCXBDSA-N	1	3	310.402	-1.313	20	0		DAADHO
CN1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1	ZINC001379473566	922193456	/nfs/dbraw/zinc/19/34/56/922193456.db2.gz	QLESMMSAUSHVEI-STQMWFEESA-N	1	3	312.414	-1.230	20	0		DAADHO
C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NCCn2cncn2)C1	ZINC001379503896	922206723	/nfs/dbraw/zinc/20/67/23/922206723.db2.gz	JHOIVVJGNMQACZ-STQMWFEESA-N	1	3	310.402	-1.313	20	0		DAADHO
C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NCCn2cncn2)C1	ZINC001379503896	922206734	/nfs/dbraw/zinc/20/67/34/922206734.db2.gz	JHOIVVJGNMQACZ-STQMWFEESA-N	1	3	310.402	-1.313	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)NC[C@H](C)NC(=O)CC[NH+](C)C	ZINC001379551290	922225962	/nfs/dbraw/zinc/22/59/62/922225962.db2.gz	MQMWSLPLKQEDIQ-VHSXEESVSA-N	1	3	301.391	-1.124	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C	ZINC001379549674	922226628	/nfs/dbraw/zinc/22/66/28/922226628.db2.gz	IKUFOUJSQNPFEQ-GHMZBOCLSA-N	1	3	313.402	-1.027	20	0		DAADHO
CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CN1CC[C@@H](C)C1	ZINC001379838030	922275797	/nfs/dbraw/zinc/27/57/97/922275797.db2.gz	VYWLPRLERCKSBU-CHWSQXEVSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CN1CC[C@H](C)C1	ZINC001379838056	922276586	/nfs/dbraw/zinc/27/65/86/922276586.db2.gz	VYWLPRLERCKSBU-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
CCNC(=O)CNC[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1	ZINC001379867691	922282588	/nfs/dbraw/zinc/28/25/88/922282588.db2.gz	HXXMFSJAWGWFCJ-CHWSQXEVSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCNC(=O)CNC[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001379867691	922282602	/nfs/dbraw/zinc/28/26/02/922282602.db2.gz	HXXMFSJAWGWFCJ-CHWSQXEVSA-N	1	3	314.430	-1.127	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(=O)NC(N)=O)C2CC2)C1	ZINC001379943414	922302309	/nfs/dbraw/zinc/30/23/09/922302309.db2.gz	YDUGYFJYHLLWGW-MNOVXSKESA-N	1	3	311.386	-1.383	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(=O)NC(N)=O)C2CC2)C1	ZINC001379943414	922302318	/nfs/dbraw/zinc/30/23/18/922302318.db2.gz	YDUGYFJYHLLWGW-MNOVXSKESA-N	1	3	311.386	-1.383	20	0		DAADHO
CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC(N)=O)N(C)C	ZINC001382433668	922748541	/nfs/dbraw/zinc/74/85/41/922748541.db2.gz	LKBKFFOTESUWTO-ZJUUUORDSA-N	1	3	317.390	-2.070	20	0		DAADHO
CCN(CC)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001382438089	922751625	/nfs/dbraw/zinc/75/16/25/922751625.db2.gz	DDCFSJNRWPFRHK-OLZOCXBDSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(CC)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001382438089	922751639	/nfs/dbraw/zinc/75/16/39/922751639.db2.gz	DDCFSJNRWPFRHK-OLZOCXBDSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(CC)CC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001382438091	922751743	/nfs/dbraw/zinc/75/17/43/922751743.db2.gz	DDCFSJNRWPFRHK-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(CC)CC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001382438091	922751757	/nfs/dbraw/zinc/75/17/57/922751757.db2.gz	DDCFSJNRWPFRHK-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
C[C@H]1CCN(CC(=O)NC[C@@H](CO)NC(=O)CC[NH+](C)C)C1	ZINC001382633239	922826293	/nfs/dbraw/zinc/82/62/93/922826293.db2.gz	UJTYYALZMSUBIF-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
CC(C)N(C)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001383923146	922975537	/nfs/dbraw/zinc/97/55/37/922975537.db2.gz	CYXSRMOEKCMFHF-OLZOCXBDSA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)N(C)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001383923146	922975545	/nfs/dbraw/zinc/97/55/45/922975545.db2.gz	CYXSRMOEKCMFHF-OLZOCXBDSA-N	1	3	314.430	-1.128	20	0		DAADHO
CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O)N(C)C	ZINC001384266060	923084069	/nfs/dbraw/zinc/08/40/69/923084069.db2.gz	VGJGIYLXKCCYNL-AGIUHOORSA-N	1	3	314.430	-1.034	20	0		DAADHO
CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CCC1	ZINC001389962505	923701835	/nfs/dbraw/zinc/70/18/35/923701835.db2.gz	USLWHSOPKQNQNL-AOOOYVTPSA-N	1	3	311.386	-1.098	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H](C)CNC(=O)C12CC[NH+](CC1)C2	ZINC001390506100	923751108	/nfs/dbraw/zinc/75/11/08/923751108.db2.gz	ICLUKWPLHMIZNQ-SNVBAGLBSA-N	1	3	311.386	-1.368	20	0		DAADHO
C[C@H](NCCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)NC(N)=O	ZINC001391226588	923818617	/nfs/dbraw/zinc/81/86/17/923818617.db2.gz	JBFPFTDNFFWSMT-JTQLQIEISA-N	1	3	311.386	-1.286	20	0		DAADHO
C[C@@H](NCCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)NC(N)=O	ZINC001391226596	923820804	/nfs/dbraw/zinc/82/08/04/923820804.db2.gz	JBFPFTDNFFWSMT-SNVBAGLBSA-N	1	3	311.386	-1.286	20	0		DAADHO
C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CC(=O)NC(N)=O	ZINC001392179605	923946725	/nfs/dbraw/zinc/94/67/25/923946725.db2.gz	HIDHHVIFCRISIP-ONGXEEELSA-N	1	3	322.369	-1.026	20	0		DAADHO
CC(C)(C(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O)N1CCCC1	ZINC001392392852	924007043	/nfs/dbraw/zinc/00/70/43/924007043.db2.gz	PWRMNLWUJAQCDW-NEPJUHHUSA-N	1	3	312.414	-1.184	20	0		DAADHO
CC(C)(C(=O)NC[C@H](O)CN[C@H]1CCNC1=O)[NH+]1CCCC1	ZINC001392392852	924007063	/nfs/dbraw/zinc/00/70/63/924007063.db2.gz	PWRMNLWUJAQCDW-NEPJUHHUSA-N	1	3	312.414	-1.184	20	0		DAADHO
CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)CN1CC[C@@H](C)C1	ZINC001392403332	924013702	/nfs/dbraw/zinc/01/37/02/924013702.db2.gz	UXUWSAWCIXWQHD-OLZOCXBDSA-N	1	3	314.430	-1.127	20	0		DAADHO
C[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)[NH+]1CCCCCC1	ZINC001392414097	924019406	/nfs/dbraw/zinc/01/94/06/924019406.db2.gz	VQDRPTVJMYUIQB-NWDGAFQWSA-N	1	3	300.403	-1.197	20	0		DAADHO
C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNCC(=O)NC(N)=O)C1	ZINC001392420494	924024252	/nfs/dbraw/zinc/02/42/52/924024252.db2.gz	HIMAYLYJOKGLHO-VHSXEESVSA-N	1	3	315.374	-2.410	20	0		DAADHO
C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNCC(=O)NC(N)=O)C1	ZINC001392420494	924024264	/nfs/dbraw/zinc/02/42/64/924024264.db2.gz	HIMAYLYJOKGLHO-VHSXEESVSA-N	1	3	315.374	-2.410	20	0		DAADHO
C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)CNCC(=O)NC(N)=O)C1	ZINC001392420483	924024500	/nfs/dbraw/zinc/02/45/00/924024500.db2.gz	HIMAYLYJOKGLHO-NXEZZACHSA-N	1	3	315.374	-2.410	20	0		DAADHO
C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNCC(=O)NC(N)=O)C1	ZINC001392420483	924024515	/nfs/dbraw/zinc/02/45/15/924024515.db2.gz	HIMAYLYJOKGLHO-NXEZZACHSA-N	1	3	315.374	-2.410	20	0		DAADHO
CC(C)NC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001392427017	924028595	/nfs/dbraw/zinc/02/85/95/924028595.db2.gz	SLRLKXQNPOQSJZ-STQMWFEESA-N	1	3	314.430	-1.081	20	0		DAADHO
CC(C)NC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001392427017	924028609	/nfs/dbraw/zinc/02/86/09/924028609.db2.gz	SLRLKXQNPOQSJZ-STQMWFEESA-N	1	3	314.430	-1.081	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)CCC[NH+](C)C	ZINC001392507989	924041267	/nfs/dbraw/zinc/04/12/67/924041267.db2.gz	WBGUWHFYXRDJEP-SNVBAGLBSA-N	1	3	301.391	-1.122	20	0		DAADHO
C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)C12CC[NH+](CC1)C2	ZINC001392522709	924044182	/nfs/dbraw/zinc/04/41/82/924044182.db2.gz	CKWSTGICPJYZNM-ZJUUUORDSA-N	1	3	311.386	-1.240	20	0		DAADHO
O=C(CN1CCCC1)NC[C@]1(O)CC[N@@H+]([C@@H]2CCCNC2=O)C1	ZINC001393272504	924144151	/nfs/dbraw/zinc/14/41/51/924144151.db2.gz	CZQIMJFFFOCLPO-CZUORRHYSA-N	1	3	324.425	-1.086	20	0		DAADHO
O=C(CN1CCCC1)NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1	ZINC001393272504	924144159	/nfs/dbraw/zinc/14/41/59/924144159.db2.gz	CZQIMJFFFOCLPO-CZUORRHYSA-N	1	3	324.425	-1.086	20	0		DAADHO
COC[C@H](O)CN1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1	ZINC001393457119	924210031	/nfs/dbraw/zinc/21/00/31/924210031.db2.gz	VJQOLCROEYIUGJ-HIFRSBDPSA-N	1	3	317.430	-1.112	20	0		DAADHO
CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)N(C)C	ZINC001394533796	924306813	/nfs/dbraw/zinc/30/68/13/924306813.db2.gz	BEFGFPHBMZGRDC-NXEZZACHSA-N	1	3	301.391	-1.042	20	0		DAADHO
CN1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O	ZINC001394627577	924343638	/nfs/dbraw/zinc/34/36/38/924343638.db2.gz	VPRZYKLJZFETHB-ZJUUUORDSA-N	1	3	315.374	-2.268	20	0		DAADHO
CN1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O	ZINC001394627568	924344770	/nfs/dbraw/zinc/34/47/70/924344770.db2.gz	VPRZYKLJZFETHB-UWVGGRQHSA-N	1	3	315.374	-2.268	20	0		DAADHO
CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C	ZINC001394755427	924377858	/nfs/dbraw/zinc/37/78/58/924377858.db2.gz	CTFAYAFWXSIXKU-WCQYABFASA-N	1	3	302.419	-1.273	20	0		DAADHO
CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1	ZINC001396440964	924528550	/nfs/dbraw/zinc/52/85/50/924528550.db2.gz	XRVAUZNCXUWFSD-OLZOCXBDSA-N	1	3	314.430	-1.034	20	0		DAADHO
CC[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)NC(=O)NC	ZINC001400868206	924834408	/nfs/dbraw/zinc/83/44/08/924834408.db2.gz	XIBHNOPGPQYWKL-JTQLQIEISA-N	1	3	301.391	-1.122	20	0		DAADHO
CNC(=O)CNC[C@@H](O)CNC(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001401536776	924877903	/nfs/dbraw/zinc/87/79/03/924877903.db2.gz	IZOVHRAKZJYOGG-NWDGAFQWSA-N	1	3	300.403	-1.327	20	0		DAADHO
CNC(=O)CNC[C@@H](O)CNC(=O)CC[C@@H]1CCC[N@H+]1C	ZINC001401536776	924877913	/nfs/dbraw/zinc/87/79/13/924877913.db2.gz	IZOVHRAKZJYOGG-NWDGAFQWSA-N	1	3	300.403	-1.327	20	0		DAADHO
CN1CC[C@H](NC[C@H](O)CNC(=O)C2CC[NH+](C)CC2)C1=O	ZINC001401556187	924887856	/nfs/dbraw/zinc/88/78/56/924887856.db2.gz	NTXAQKAJUQUKHR-STQMWFEESA-N	1	3	312.414	-1.374	20	0		DAADHO
CN(C)C1(C(=O)NC[C@H](O)C[NH2+][C@@H]2CCCNC2=O)CCC1	ZINC001401556867	924888359	/nfs/dbraw/zinc/88/83/59/924888359.db2.gz	QRJRWLWLFXNHBV-VXGBXAGGSA-N	1	3	312.414	-1.184	20	0		DAADHO
C[NH+](C)CC1(C(=O)NC[C@@H](O)CN[C@@H]2CCCNC2=O)CC1	ZINC001401559595	924889833	/nfs/dbraw/zinc/88/98/33/924889833.db2.gz	DBKIPZRQSQGDOT-NWDGAFQWSA-N	1	3	312.414	-1.327	20	0		DAADHO
C[NH+](C)CC1(C(=O)NC[C@@H](O)CN[C@H]2CCCNC2=O)CC1	ZINC001401559600	924890616	/nfs/dbraw/zinc/89/06/16/924890616.db2.gz	DBKIPZRQSQGDOT-RYUDHWBXSA-N	1	3	312.414	-1.327	20	0		DAADHO
CC(C)[C@@H](C(=O)NC[C@H](O)CNCC(=O)N(C)C)[NH+](C)C	ZINC001401563496	924892034	/nfs/dbraw/zinc/89/20/34/924892034.db2.gz	IIZNOMZOSXNCDI-YPMHNXCESA-N	1	3	302.419	-1.273	20	0		DAADHO
CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)CN1CC[C@H](C)C1	ZINC001401562062	924892535	/nfs/dbraw/zinc/89/25/35/924892535.db2.gz	TZWZQGIFXUHRIG-STQMWFEESA-N	1	3	314.430	-1.081	20	0		DAADHO
CC(C)[C@H](C(=O)NC[C@@H](O)CNCC(=O)N(C)C)[NH+](C)C	ZINC001401563492	924892844	/nfs/dbraw/zinc/89/28/44/924892844.db2.gz	IIZNOMZOSXNCDI-WCQYABFASA-N	1	3	302.419	-1.273	20	0		DAADHO
C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)CNCC(=O)NC2CC2)C1	ZINC001401581490	924900691	/nfs/dbraw/zinc/90/06/91/924900691.db2.gz	KZPDWQYWHJTDBR-DGCLKSJQSA-N	1	3	312.414	-1.327	20	0		DAADHO
C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNCC(=O)NC2CC2)C1	ZINC001401581490	924900697	/nfs/dbraw/zinc/90/06/97/924900697.db2.gz	KZPDWQYWHJTDBR-DGCLKSJQSA-N	1	3	312.414	-1.327	20	0		DAADHO
C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNCC(=O)NC2CC2)C1	ZINC001401581499	924901399	/nfs/dbraw/zinc/90/13/99/924901399.db2.gz	KZPDWQYWHJTDBR-YPMHNXCESA-N	1	3	312.414	-1.327	20	0		DAADHO
C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNCC(=O)NC2CC2)C1	ZINC001401581499	924901405	/nfs/dbraw/zinc/90/14/05/924901405.db2.gz	KZPDWQYWHJTDBR-YPMHNXCESA-N	1	3	312.414	-1.327	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O	ZINC001401591926	924904324	/nfs/dbraw/zinc/90/43/24/924904324.db2.gz	VXMVXSLCHYUBHU-NEPJUHHUSA-N	1	3	300.403	-1.328	20	0		DAADHO
NC(=O)NC(=O)CNC[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1	ZINC001401857337	924925620	/nfs/dbraw/zinc/92/56/20/924925620.db2.gz	AZWCCBFFRQZQKV-NSHDSACASA-N	1	3	323.397	-1.239	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H](CNC(=O)CC[NH+](C)C)C1CC1	ZINC001402332866	924978135	/nfs/dbraw/zinc/97/81/35/924978135.db2.gz	COUYPYRXWYQPPG-LLVKDONJSA-N	1	3	313.402	-1.122	20	0		DAADHO
C[C@@H]1[C@H](C(=O)N(CCO)CCN[C@@H]2CCNC2=O)CC[N@@H+]1C	ZINC001402467319	925001860	/nfs/dbraw/zinc/00/18/60/925001860.db2.gz	NXZJOKGHSAWLSM-JHJVBQTASA-N	1	3	312.414	-1.374	20	0		DAADHO
C[C@@H]1[C@H](C(=O)N(CCO)CCN[C@@H]2CCNC2=O)CC[N@H+]1C	ZINC001402467319	925001871	/nfs/dbraw/zinc/00/18/71/925001871.db2.gz	NXZJOKGHSAWLSM-JHJVBQTASA-N	1	3	312.414	-1.374	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNCC(=O)N3CCC3)C2)C1	ZINC001402595886	925016229	/nfs/dbraw/zinc/01/62/29/925016229.db2.gz	KONJVIRXFFXPNO-KGLIPLIRSA-N	1	3	324.425	-1.013	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNCC(=O)N3CCC3)C2)C1	ZINC001402595886	925016240	/nfs/dbraw/zinc/01/62/40/925016240.db2.gz	KONJVIRXFFXPNO-KGLIPLIRSA-N	1	3	324.425	-1.013	20	0		DAADHO
CN(C)C(=O)CNC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001402605496	925018346	/nfs/dbraw/zinc/01/83/46/925018346.db2.gz	PYSRVACNGIMAHQ-GFCCVEGCSA-N	1	3	300.403	-1.157	20	0		DAADHO
C[NH+](C)CCCC(=O)N1CCC(O)(CNCC(N)=O)CC1	ZINC001402794286	925030272	/nfs/dbraw/zinc/03/02/72/925030272.db2.gz	OMEGPEIILMYKNZ-UHFFFAOYSA-N	1	3	300.403	-1.243	20	0		DAADHO
C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCc1nc(=O)n(C)[nH]1	ZINC001403627271	925091058	/nfs/dbraw/zinc/09/10/58/925091058.db2.gz	JBJDJTWOHYVIIW-MNOVXSKESA-N	1	3	310.402	-1.003	20	0		DAADHO
C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCc1nc(=O)n(C)[nH]1	ZINC001403627271	925091068	/nfs/dbraw/zinc/09/10/68/925091068.db2.gz	JBJDJTWOHYVIIW-MNOVXSKESA-N	1	3	310.402	-1.003	20	0		DAADHO
C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCc1nc(=O)n(C)[nH]1	ZINC001403627267	925091896	/nfs/dbraw/zinc/09/18/96/925091896.db2.gz	JBJDJTWOHYVIIW-GHMZBOCLSA-N	1	3	310.402	-1.003	20	0		DAADHO
C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCc1nc(=O)n(C)[nH]1	ZINC001403627267	925091904	/nfs/dbraw/zinc/09/19/04/925091904.db2.gz	JBJDJTWOHYVIIW-GHMZBOCLSA-N	1	3	310.402	-1.003	20	0		DAADHO
CCNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001403826570	925147220	/nfs/dbraw/zinc/14/72/20/925147220.db2.gz	BUCXWGDPZKZKSQ-JHJVBQTASA-N	1	3	314.430	-1.128	20	0		DAADHO
CCNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001403826570	925147224	/nfs/dbraw/zinc/14/72/24/925147224.db2.gz	BUCXWGDPZKZKSQ-JHJVBQTASA-N	1	3	314.430	-1.128	20	0		DAADHO
CN(C[C@H](O)CNCC(N)=O)C(=O)CC[C@@H]1CCC[N@@H+]1C	ZINC001403854530	925155945	/nfs/dbraw/zinc/15/59/45/925155945.db2.gz	RPVJNQBYIVSRON-NWDGAFQWSA-N	1	3	300.403	-1.245	20	0		DAADHO
CN(C[C@H](O)CNCC(N)=O)C(=O)CC[C@@H]1CCC[N@H+]1C	ZINC001403854530	925155948	/nfs/dbraw/zinc/15/59/48/925155948.db2.gz	RPVJNQBYIVSRON-NWDGAFQWSA-N	1	3	300.403	-1.245	20	0		DAADHO
CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O	ZINC001403878593	925162091	/nfs/dbraw/zinc/16/20/91/925162091.db2.gz	KSNFJNHHOSNXIX-OLZOCXBDSA-N	1	3	314.430	-1.034	20	0		DAADHO
CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001403886560	925164349	/nfs/dbraw/zinc/16/43/49/925164349.db2.gz	UOWAQIXQAPLGFW-VXGBXAGGSA-N	1	3	310.398	-1.620	20	0		DAADHO
CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001403886550	925165206	/nfs/dbraw/zinc/16/52/06/925165206.db2.gz	UOWAQIXQAPLGFW-NEPJUHHUSA-N	1	3	310.398	-1.620	20	0		DAADHO
C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(N)=O	ZINC001404306349	925189831	/nfs/dbraw/zinc/18/98/31/925189831.db2.gz	ABPIFJDBBZFKMO-HBNTYKKESA-N	1	3	313.402	-1.042	20	0		DAADHO
C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(N)=O	ZINC001404306349	925189840	/nfs/dbraw/zinc/18/98/40/925189840.db2.gz	ABPIFJDBBZFKMO-HBNTYKKESA-N	1	3	313.402	-1.042	20	0		DAADHO
CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(N)=O)N(C)C	ZINC001405736346	925333368	/nfs/dbraw/zinc/33/33/68/925333368.db2.gz	QLNIRJCDNYIXAI-UWVGGRQHSA-N	1	3	301.391	-1.137	20	0		DAADHO
CC(C)(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)N1CCCCC1	ZINC001406228627	925365836	/nfs/dbraw/zinc/36/58/36/925365836.db2.gz	YNWNBVVETONROC-NSHDSACASA-N	1	3	300.403	-1.197	20	0		DAADHO
NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1	ZINC001406253164	925376966	/nfs/dbraw/zinc/37/69/66/925376966.db2.gz	WYIQAIKVWOCZOA-OLZOCXBDSA-N	1	3	312.414	-1.055	20	0		DAADHO
NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1	ZINC001406253164	925376974	/nfs/dbraw/zinc/37/69/74/925376974.db2.gz	WYIQAIKVWOCZOA-OLZOCXBDSA-N	1	3	312.414	-1.055	20	0		DAADHO
CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNCC(=O)NC	ZINC001406252550	925377968	/nfs/dbraw/zinc/37/79/68/925377968.db2.gz	XUCRRZPMUVPQFB-NWDGAFQWSA-N	1	3	300.403	-1.327	20	0		DAADHO
CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNCC(=O)NC	ZINC001406252550	925377976	/nfs/dbraw/zinc/37/79/76/925377976.db2.gz	XUCRRZPMUVPQFB-NWDGAFQWSA-N	1	3	300.403	-1.327	20	0		DAADHO
CN1CCC[C@@H](NC[C@H](O)CNC(=O)CC[NH+](C)C)C1=O	ZINC001406253514	925380497	/nfs/dbraw/zinc/38/04/97/925380497.db2.gz	CRMXIYIWMRNCKP-NWDGAFQWSA-N	1	3	300.403	-1.374	20	0		DAADHO
CNC(=O)CNC[C@@H](O)CNC(=O)COC1CC[NH+](C)CC1	ZINC001406269009	925388368	/nfs/dbraw/zinc/38/83/68/925388368.db2.gz	BWYQSOZUGJGORN-LLVKDONJSA-N	1	3	316.402	-2.090	20	0		DAADHO
C[NH+](C)CCCC(=O)NC[C@@H](O)CN[C@@H]1CCCNC1=O	ZINC001406275739	925389874	/nfs/dbraw/zinc/38/98/74/925389874.db2.gz	VNMCMBUVIGHZTD-NWDGAFQWSA-N	1	3	300.403	-1.327	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)N(C)C	ZINC001406315678	925401176	/nfs/dbraw/zinc/40/11/76/925401176.db2.gz	ZFPUPEFYSRSDLC-NEPJUHHUSA-N	1	3	302.419	-1.130	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)N(C)C	ZINC001406315686	925401879	/nfs/dbraw/zinc/40/18/79/925401879.db2.gz	ZFPUPEFYSRSDLC-RYUDHWBXSA-N	1	3	302.419	-1.130	20	0		DAADHO
CCN(CC)CC(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1	ZINC001406395504	925411306	/nfs/dbraw/zinc/41/13/06/925411306.db2.gz	INUMDDUEYMSYRQ-OLZOCXBDSA-N	1	3	314.430	-1.032	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CNCC(=O)NC(N)=O)C1	ZINC001407115841	925453241	/nfs/dbraw/zinc/45/32/41/925453241.db2.gz	SSGRMABIFWWTLD-GHMZBOCLSA-N	1	3	311.386	-1.286	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CNCC(=O)NC(N)=O)C1	ZINC001407115841	925453247	/nfs/dbraw/zinc/45/32/47/925453247.db2.gz	SSGRMABIFWWTLD-GHMZBOCLSA-N	1	3	311.386	-1.286	20	0		DAADHO
C[NH+]1CCC(C(=O)N(CCO)CCN[C@@H]2CCNC2=O)CC1	ZINC001407669857	925516821	/nfs/dbraw/zinc/51/68/21/925516821.db2.gz	XRWARPQHKNSRKE-CYBMUJFWSA-N	1	3	312.414	-1.373	20	0		DAADHO
C[C@@H](NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)N(C)C	ZINC001407664487	925517433	/nfs/dbraw/zinc/51/74/33/925517433.db2.gz	COEAOVUFSLMRBV-OLZOCXBDSA-N	1	3	314.430	-1.175	20	0		DAADHO
C[C@@H](NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C	ZINC001407664487	925517440	/nfs/dbraw/zinc/51/74/40/925517440.db2.gz	COEAOVUFSLMRBV-OLZOCXBDSA-N	1	3	314.430	-1.175	20	0		DAADHO
O=C(N(CCO)CCN[C@@H]1CCCNC1=O)C12CC[NH+](CC1)C2	ZINC001407658947	925517705	/nfs/dbraw/zinc/51/77/05/925517705.db2.gz	MIFJNLBBTWCUJV-CYBMUJFWSA-N	1	3	324.425	-1.229	20	0		DAADHO
NC(=O)CNCC1(NC(=O)C23CC[NH+](CC2)C3)CCOCC1	ZINC001408064231	925543231	/nfs/dbraw/zinc/54/32/31/925543231.db2.gz	WREBMTWHSARUNC-UHFFFAOYSA-N	1	3	310.398	-1.178	20	0		DAADHO
CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001408086983	925546514	/nfs/dbraw/zinc/54/65/14/925546514.db2.gz	ULMBDVSDYIUNNG-MNOVXSKESA-N	1	3	313.402	-1.042	20	0		DAADHO
CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H](C)C1	ZINC001408086996	925546700	/nfs/dbraw/zinc/54/67/00/925546700.db2.gz	ULMBDVSDYIUNNG-QWRGUYRKSA-N	1	3	313.402	-1.042	20	0		DAADHO
C[C@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CN1CCCC1	ZINC001410840116	925788866	/nfs/dbraw/zinc/78/88/66/925788866.db2.gz	CLEKOINONCXFEZ-WDEREUQCSA-N	1	3	311.386	-1.144	20	0		DAADHO
C[C@H](NC[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1)C(N)=O	ZINC001411088939	925811655	/nfs/dbraw/zinc/81/16/55/925811655.db2.gz	LRRCBWIMVGJOLP-QWRGUYRKSA-N	1	3	300.403	-1.389	20	0		DAADHO
CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CC(=O)NC(N)=O)C1	ZINC001411240088	925833371	/nfs/dbraw/zinc/83/33/71/925833371.db2.gz	SNXAORJVDGPRHZ-VQXHTEKXSA-N	1	3	311.386	-1.146	20	0		DAADHO
CC[C@H](C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)N(C)C	ZINC001414068851	926106006	/nfs/dbraw/zinc/10/60/06/926106006.db2.gz	SFFAVAVHZGKUSB-UPJWGTAASA-N	1	3	314.430	-1.034	20	0		DAADHO
CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1)C1CCC1	ZINC001418117775	926366724	/nfs/dbraw/zinc/36/67/24/926366724.db2.gz	CRESBQRBXXERGT-AOOOYVTPSA-N	1	3	311.386	-1.098	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)CC[NH+](C)C	ZINC001418833867	926426565	/nfs/dbraw/zinc/42/65/65/926426565.db2.gz	SBZHPIGLYLBUKR-SNVBAGLBSA-N	1	3	301.391	-1.170	20	0		DAADHO
C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCCN(C)S(C)(=O)=O	ZINC001419927672	926508066	/nfs/dbraw/zinc/50/80/66/926508066.db2.gz	SIXDMHJIMXHPGV-NEPJUHHUSA-N	1	3	320.459	-1.076	20	0		DAADHO
C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCCN(C)S(C)(=O)=O	ZINC001419927672	926508072	/nfs/dbraw/zinc/50/80/72/926508072.db2.gz	SIXDMHJIMXHPGV-NEPJUHHUSA-N	1	3	320.459	-1.076	20	0		DAADHO
C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCCN(C)S(C)(=O)=O	ZINC001419927689	926509495	/nfs/dbraw/zinc/50/94/95/926509495.db2.gz	SIXDMHJIMXHPGV-NWDGAFQWSA-N	1	3	320.459	-1.076	20	0		DAADHO
C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCCN(C)S(C)(=O)=O	ZINC001419927689	926509504	/nfs/dbraw/zinc/50/95/04/926509504.db2.gz	SIXDMHJIMXHPGV-NWDGAFQWSA-N	1	3	320.459	-1.076	20	0		DAADHO
CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1)N(C)C	ZINC001420014246	926515475	/nfs/dbraw/zinc/51/54/75/926515475.db2.gz	XVKFDOWYUHRBSU-QWRGUYRKSA-N	1	3	313.402	-1.040	20	0		DAADHO
CCCNC(=O)CNC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1	ZINC001420140264	926540466	/nfs/dbraw/zinc/54/04/66/926540466.db2.gz	DQCLTTNRCHAEEN-CYBMUJFWSA-N	1	3	314.430	-1.079	20	0		DAADHO
C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCC1)C(N)=O	ZINC001420154567	926544418	/nfs/dbraw/zinc/54/44/18/926544418.db2.gz	FKBQAKGBWYTTHR-GHMZBOCLSA-N	1	3	300.403	-1.199	20	0		DAADHO
C[C@@H](NC[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O	ZINC001420154567	926544425	/nfs/dbraw/zinc/54/44/25/926544425.db2.gz	FKBQAKGBWYTTHR-GHMZBOCLSA-N	1	3	300.403	-1.199	20	0		DAADHO
O=C(NC[C@H](O)CN[C@H]1CCCNC1=O)C12CC[NH+](CC1)C2	ZINC001420197401	926560394	/nfs/dbraw/zinc/56/03/94/926560394.db2.gz	OJHLLUXACSTTNE-NEPJUHHUSA-N	1	3	310.398	-1.573	20	0		DAADHO
NC(=O)CNC[C@@H](O)CNC(=O)C1CC[NH+](CC2CC2)CC1	ZINC001420200986	926563526	/nfs/dbraw/zinc/56/35/26/926563526.db2.gz	WDRKJZRGFVFKOH-CYBMUJFWSA-N	1	3	312.414	-1.340	20	0		DAADHO
C[C@H](NC[C@@H](O)CNC(=O)CC[NH+]1CCCCC1)C(N)=O	ZINC001420211335	926565407	/nfs/dbraw/zinc/56/54/07/926565407.db2.gz	JTGCKWHMCHCUMN-NWDGAFQWSA-N	1	3	300.403	-1.197	20	0		DAADHO
O=C(CC[NH+]1CCCCC1)NC[C@@H](O)CN[C@H]1CCNC1=O	ZINC001420221536	926567273	/nfs/dbraw/zinc/56/72/73/926567273.db2.gz	YAFSYCZFMDXZGM-STQMWFEESA-N	1	3	312.414	-1.182	20	0		DAADHO
C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001420420525	926589422	/nfs/dbraw/zinc/58/94/22/926589422.db2.gz	KFAHPEXXBYARJK-ONGXEEELSA-N	1	3	311.386	-1.383	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)CC[NH+](C)C	ZINC001421941108	926775757	/nfs/dbraw/zinc/77/57/57/926775757.db2.gz	UXLUNAVQCQIFAJ-SNVBAGLBSA-N	1	3	301.391	-1.170	20	0		DAADHO
CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CN1CC[C@@H](C)C1	ZINC001422366424	926852382	/nfs/dbraw/zinc/85/23/82/926852382.db2.gz	ZQLKDLWZXTUZTE-VXGBXAGGSA-N	1	3	300.403	-1.469	20	0		DAADHO
CC[N@H+](C)CCC(=O)NC[C@H](O)CN[C@@H]1CCCNC1=O	ZINC001422379145	926854908	/nfs/dbraw/zinc/85/49/08/926854908.db2.gz	KHKNKYWJBSFOFA-VXGBXAGGSA-N	1	3	300.403	-1.327	20	0		DAADHO
CC[N@@H+](C)CCC(=O)NC[C@H](O)CN[C@@H]1CCCNC1=O	ZINC001422379145	926854921	/nfs/dbraw/zinc/85/49/21/926854921.db2.gz	KHKNKYWJBSFOFA-VXGBXAGGSA-N	1	3	300.403	-1.327	20	0		DAADHO
CC(C)[C@H](C(=O)NC[C@@H](O)CNCC(N)=O)[NH+]1CCCC1	ZINC001422429910	926871685	/nfs/dbraw/zinc/87/16/85/926871685.db2.gz	UKHDFBMCHAMGMR-WCQYABFASA-N	1	3	300.403	-1.341	20	0		DAADHO
CC[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NC)N(C)C	ZINC001422504661	926880980	/nfs/dbraw/zinc/88/09/80/926880980.db2.gz	CJEOHEUJGPAFRH-NXEZZACHSA-N	1	3	301.391	-1.124	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCN1C	ZINC001423060628	926940136	/nfs/dbraw/zinc/94/01/36/926940136.db2.gz	UVOQZCXVYHLQTA-QWRGUYRKSA-N	1	3	313.402	-1.027	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1	ZINC001423358029	927031452	/nfs/dbraw/zinc/03/14/52/927031452.db2.gz	QUAJPVGVXIXBEB-GHMZBOCLSA-N	1	3	313.402	-1.027	20	0		DAADHO
CNC(=O)CNC[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001423467457	927066415	/nfs/dbraw/zinc/06/64/15/927066415.db2.gz	IKXYBIAVSVDTJZ-LBPRGKRZSA-N	1	3	300.403	-1.517	20	0		DAADHO
CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2	ZINC001423477060	927070385	/nfs/dbraw/zinc/07/03/85/927070385.db2.gz	HVORUWCLSGWQLH-LBPRGKRZSA-N	1	3	312.414	-1.421	20	0		DAADHO
CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCNC1=O	ZINC001423492672	927078649	/nfs/dbraw/zinc/07/86/49/927078649.db2.gz	IGILOQFQGDQZFS-NWDGAFQWSA-N	1	3	300.403	-1.376	20	0		DAADHO
C[C@@H](NCCN(CCO)C(=O)C12CCC[NH+]1CCC2)C(N)=O	ZINC001424040381	927185528	/nfs/dbraw/zinc/18/55/28/927185528.db2.gz	FGSMVGFZWMBVLJ-GFCCVEGCSA-N	1	3	312.414	-1.101	20	0		DAADHO
CN(CC(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O)C1CCC1	ZINC001424051004	927187443	/nfs/dbraw/zinc/18/74/43/927187443.db2.gz	RTXONWFMSQADHJ-ZDUSSCGKSA-N	1	3	312.414	-1.230	20	0		DAADHO
C[C@@H](NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1)C(N)=O	ZINC001424238825	927211567	/nfs/dbraw/zinc/21/15/67/927211567.db2.gz	NFAIDTWUEZJOIV-VXGBXAGGSA-N	1	3	310.398	-1.227	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1	ZINC001425411489	927353892	/nfs/dbraw/zinc/35/38/92/927353892.db2.gz	MWLGLTKISSIKJZ-QWHCGFSZSA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001425411489	927353903	/nfs/dbraw/zinc/35/39/03/927353903.db2.gz	MWLGLTKISSIKJZ-QWHCGFSZSA-N	1	3	314.430	-1.128	20	0		DAADHO
C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCC(=O)NC(N)=O	ZINC001425628555	927396725	/nfs/dbraw/zinc/39/67/25/927396725.db2.gz	ASEBFNGYJVWBIB-SNVBAGLBSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@@H](NC[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O	ZINC001426001335	927500301	/nfs/dbraw/zinc/50/03/01/927500301.db2.gz	PZBXRTOGRRYAGC-NEPJUHHUSA-N	1	3	312.414	-1.103	20	0		DAADHO
CN(C[C@@H](O)CN[C@H]1CCN(C)C1=O)C(=O)CCC[NH+](C)C	ZINC001426020781	927508822	/nfs/dbraw/zinc/50/88/22/927508822.db2.gz	DEJNUYUCZASOEK-STQMWFEESA-N	1	3	314.430	-1.032	20	0		DAADHO
CC[N@H+](C)CCC(=O)N(C)C[C@@H](O)CN[C@@H]1CCN(C)C1=O	ZINC001426026785	927509402	/nfs/dbraw/zinc/50/94/02/927509402.db2.gz	BYBOXGNZTVGOBV-QWHCGFSZSA-N	1	3	314.430	-1.032	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N(C)C[C@@H](O)CN[C@@H]1CCN(C)C1=O	ZINC001426026785	927509410	/nfs/dbraw/zinc/50/94/10/927509410.db2.gz	BYBOXGNZTVGOBV-QWHCGFSZSA-N	1	3	314.430	-1.032	20	0		DAADHO
CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001438989952	928560932	/nfs/dbraw/zinc/56/09/32/928560932.db2.gz	JLCYYVBYHWNLDR-OLZOCXBDSA-N	1	3	312.414	-1.517	20	0		DAADHO
CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001438989953	928562535	/nfs/dbraw/zinc/56/25/35/928562535.db2.gz	JLCYYVBYHWNLDR-QWHCGFSZSA-N	1	3	312.414	-1.517	20	0		DAADHO
CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C	ZINC001438995486	928564213	/nfs/dbraw/zinc/56/42/13/928564213.db2.gz	CTFDYIOTIYJUQU-CHWSQXEVSA-N	1	3	314.430	-1.081	20	0		DAADHO
CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C	ZINC001438995486	928564225	/nfs/dbraw/zinc/56/42/25/928564225.db2.gz	CTFDYIOTIYJUQU-CHWSQXEVSA-N	1	3	314.430	-1.081	20	0		DAADHO
CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C	ZINC001438995492	928564992	/nfs/dbraw/zinc/56/49/92/928564992.db2.gz	CTFDYIOTIYJUQU-OLZOCXBDSA-N	1	3	314.430	-1.081	20	0		DAADHO
CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C	ZINC001438995492	928565000	/nfs/dbraw/zinc/56/50/00/928565000.db2.gz	CTFDYIOTIYJUQU-OLZOCXBDSA-N	1	3	314.430	-1.081	20	0		DAADHO
CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C	ZINC001438995502	928565018	/nfs/dbraw/zinc/56/50/18/928565018.db2.gz	CTFDYIOTIYJUQU-STQMWFEESA-N	1	3	314.430	-1.081	20	0		DAADHO
CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C	ZINC001438995502	928565024	/nfs/dbraw/zinc/56/50/24/928565024.db2.gz	CTFDYIOTIYJUQU-STQMWFEESA-N	1	3	314.430	-1.081	20	0		DAADHO
CCN(CC)C(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001439040782	928588455	/nfs/dbraw/zinc/58/84/55/928588455.db2.gz	FEBYUKOEBWCEHJ-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(CC)C(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001439040782	928588468	/nfs/dbraw/zinc/58/84/68/928588468.db2.gz	FEBYUKOEBWCEHJ-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
CCCN(C)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCN(C)C1=O	ZINC001439044261	928591092	/nfs/dbraw/zinc/59/10/92/928591092.db2.gz	MFFRSGOQQQPDQG-NEPJUHHUSA-N	1	3	300.403	-1.374	20	0		DAADHO
CN1CC[C@H](N2CC[C@](O)(CNC(=O)C[NH+]3CCCC3)C2)C1=O	ZINC001440023575	928669401	/nfs/dbraw/zinc/66/94/01/928669401.db2.gz	NFEHGKMVUHKATK-BBRMVZONSA-N	1	3	324.425	-1.134	20	0		DAADHO
C[C@@H]([NH2+]CCN(CCO)C(=O)CN1CC[C@H](C)C1)C(N)=O	ZINC001440204012	928704389	/nfs/dbraw/zinc/70/43/89/928704389.db2.gz	GISGYQIOGLUAFB-NWDGAFQWSA-N	1	3	300.403	-1.388	20	0		DAADHO
C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001441417957	928786455	/nfs/dbraw/zinc/78/64/55/928786455.db2.gz	RGIFUZZPYWKQPK-DCAQKATOSA-N	1	3	311.386	-1.240	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@@H](O)CN(C)C(=O)CC[NH+](C)C	ZINC001442003752	928905410	/nfs/dbraw/zinc/90/54/10/928905410.db2.gz	XQQHYVLBPULACG-SNVBAGLBSA-N	1	3	317.390	-2.197	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1	ZINC001442142021	928933005	/nfs/dbraw/zinc/93/30/05/928933005.db2.gz	DTIFTBIXIRYITF-JTQLQIEISA-N	1	3	322.369	-1.154	20	0		DAADHO
CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C1(N(C)C)CCC1	ZINC001445188733	929179896	/nfs/dbraw/zinc/17/98/96/929179896.db2.gz	KQLXUQBHVHMKHJ-LLVKDONJSA-N	1	3	300.403	-1.374	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1	ZINC001445270141	929205976	/nfs/dbraw/zinc/20/59/76/929205976.db2.gz	PGRNGXDHHWQNBI-LBPRGKRZSA-N	1	3	300.403	-1.374	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCC(=O)NC(C)(C)C)C1	ZINC001445264888	929206306	/nfs/dbraw/zinc/20/63/06/929206306.db2.gz	GHQVEZGHDLIYMK-RYUDHWBXSA-N	1	3	314.430	-1.081	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCC(=O)NC(C)(C)C)C1	ZINC001445264888	929206316	/nfs/dbraw/zinc/20/63/16/929206316.db2.gz	GHQVEZGHDLIYMK-RYUDHWBXSA-N	1	3	314.430	-1.081	20	0		DAADHO
CN(C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1	ZINC001445270137	929206622	/nfs/dbraw/zinc/20/66/22/929206622.db2.gz	LUBAIWUXNNANCE-YPMHNXCESA-N	1	3	312.414	-1.374	20	0		DAADHO
CN(C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1	ZINC001445270137	929206634	/nfs/dbraw/zinc/20/66/34/929206634.db2.gz	LUBAIWUXNNANCE-YPMHNXCESA-N	1	3	312.414	-1.374	20	0		DAADHO
CN(C(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1	ZINC001445270132	929207083	/nfs/dbraw/zinc/20/70/83/929207083.db2.gz	LUBAIWUXNNANCE-AAEUAGOBSA-N	1	3	312.414	-1.374	20	0		DAADHO
CN(C(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1	ZINC001445270132	929207090	/nfs/dbraw/zinc/20/70/90/929207090.db2.gz	LUBAIWUXNNANCE-AAEUAGOBSA-N	1	3	312.414	-1.374	20	0		DAADHO
CCCN(C)CC(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NC	ZINC001445482162	929224847	/nfs/dbraw/zinc/22/48/47/929224847.db2.gz	NQVLHAMULAYYHV-SNVBAGLBSA-N	1	3	301.391	-1.122	20	0		DAADHO
CC[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](C[C@@H](O)COC)C1)N(C)C	ZINC001446790194	929323738	/nfs/dbraw/zinc/32/37/38/929323738.db2.gz	WYOLADNTPZJCPR-IPYPFGDCSA-N	1	3	317.430	-1.113	20	0		DAADHO
CC[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](O)COC)C1)N(C)C	ZINC001446790194	929323749	/nfs/dbraw/zinc/32/37/49/929323749.db2.gz	WYOLADNTPZJCPR-IPYPFGDCSA-N	1	3	317.430	-1.113	20	0		DAADHO
C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(=O)NC(N)=O	ZINC001446974275	929357430	/nfs/dbraw/zinc/35/74/30/929357430.db2.gz	QQBRGKCLDMXASD-VHSXEESVSA-N	1	3	322.369	-1.169	20	0		DAADHO
O=C(N(CCO)CCN[C@@H]1CCNC1=O)C12CCC[NH+]1CCC2	ZINC001447060873	929366767	/nfs/dbraw/zinc/36/67/67/929366767.db2.gz	IPEVPXVRNASCBQ-CYBMUJFWSA-N	1	3	324.425	-1.086	20	0		DAADHO
CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)CN1CC[C@H](C)C1	ZINC001447056651	929368143	/nfs/dbraw/zinc/36/81/43/929368143.db2.gz	BXLGRICHUMTOEG-QWHCGFSZSA-N	1	3	314.430	-1.127	20	0		DAADHO
CN1CC[C@H](NC[C@H]2CN(C(=O)CC[NH+](C)C)CCO2)C1=O	ZINC001447284354	929382606	/nfs/dbraw/zinc/38/26/06/929382606.db2.gz	BUHUYQMXFMTYQW-STQMWFEESA-N	1	3	312.414	-1.014	20	0		DAADHO
CNC(=O)CNCC1(NC(=O)CC[NH+](C)C)CCOCC1	ZINC001447491716	929394443	/nfs/dbraw/zinc/39/44/43/929394443.db2.gz	KBBONCYDXCUHGX-UHFFFAOYSA-N	1	3	300.403	-1.061	20	0		DAADHO
C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCC(=O)NC(N)=O	ZINC001448742574	929469759	/nfs/dbraw/zinc/46/97/59/929469759.db2.gz	XLFNLTRIUGSAMZ-JTQLQIEISA-N	1	3	313.402	-1.040	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001448792726	929471450	/nfs/dbraw/zinc/47/14/50/929471450.db2.gz	VRNWIIOBBPAIOM-QWRGUYRKSA-N	1	3	313.402	-1.170	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001448792726	929471464	/nfs/dbraw/zinc/47/14/64/929471464.db2.gz	VRNWIIOBBPAIOM-QWRGUYRKSA-N	1	3	313.402	-1.170	20	0		DAADHO
CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001449141844	929551583	/nfs/dbraw/zinc/55/15/83/929551583.db2.gz	AEERDURIMZCUII-DGCLKSJQSA-N	1	3	314.430	-1.128	20	0		DAADHO
CNC(=O)CNC[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2	ZINC001449148843	929552587	/nfs/dbraw/zinc/55/25/87/929552587.db2.gz	VUDQCVVKNZRXMT-GFCCVEGCSA-N	1	3	312.414	-1.230	20	0		DAADHO
CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCC1	ZINC001449188474	929562680	/nfs/dbraw/zinc/56/26/80/929562680.db2.gz	MLMXOVJNVDUOES-CYBMUJFWSA-N	1	3	314.430	-1.032	20	0		DAADHO
CN(CCn1cncn1)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001449250282	929575377	/nfs/dbraw/zinc/57/53/77/929575377.db2.gz	WMHVMPHJEVCRGL-KBPBESRZSA-N	1	3	324.429	-1.019	20	0		DAADHO
CN(CCn1cncn1)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001449250282	929575388	/nfs/dbraw/zinc/57/53/88/929575388.db2.gz	WMHVMPHJEVCRGL-KBPBESRZSA-N	1	3	324.429	-1.019	20	0		DAADHO
CC1(C)CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC2(CNC2)O1	ZINC001548579187	930030483	/nfs/dbraw/zinc/03/04/83/930030483.db2.gz	QSWALCIECHZOOX-LLVKDONJSA-N	1	3	310.398	-1.166	20	0		DAADHO
CN1CC[NH2+]C[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1	ZINC001548553508	930030838	/nfs/dbraw/zinc/03/08/38/930030838.db2.gz	NGHCRROEUFQECS-AWEZNQCLSA-N	1	3	323.441	-1.343	20	0		DAADHO
CC1(C)CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC2(CNC2)O1	ZINC001548579192	930030966	/nfs/dbraw/zinc/03/09/66/930030966.db2.gz	QSWALCIECHZOOX-NSHDSACASA-N	1	3	310.398	-1.166	20	0		DAADHO
NCc1cn([C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)C2)nn1	ZINC001550096603	930062241	/nfs/dbraw/zinc/06/22/41/930062241.db2.gz	NDWBYGZNHZNQPS-QKCSRTOESA-N	1	3	306.370	-1.254	20	0		DAADHO
CN1CC[C@]2(C(=O)NCC(=O)N3CCNCC3)C[NH2+]C[C@H]2C1	ZINC001553349158	930075745	/nfs/dbraw/zinc/07/57/45/930075745.db2.gz	CXCSUQDKTCXDQU-WFASDCNBSA-N	1	3	309.414	-1.924	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)CN1CC(=O)N(C)C1=O	ZINC000625290760	372789440	/nfs/dbraw/zinc/78/94/40/372789440.db2.gz	VOBAWJGHJOZJOC-UHFFFAOYSA-N	1	3	313.402	-1.168	20	0		DAADHO
CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)[C@H](CN)C1	ZINC000583434834	372866785	/nfs/dbraw/zinc/86/67/85/372866785.db2.gz	FSPMACRUXZSQOI-CJNGLKHVSA-N	1	3	323.441	-1.358	20	0		DAADHO
CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)[C@H](CN)C1	ZINC000583434834	372866796	/nfs/dbraw/zinc/86/67/96/372866796.db2.gz	FSPMACRUXZSQOI-CJNGLKHVSA-N	1	3	323.441	-1.358	20	0		DAADHO
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1nc(N2CCNCC2)n[nH]1	ZINC000572719642	372894489	/nfs/dbraw/zinc/89/44/89/372894489.db2.gz	KWNAGXQIVJXSMC-VIFPVBQESA-N	1	3	322.373	-1.979	20	0		DAADHO
CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@H]1CN	ZINC000562822553	372885435	/nfs/dbraw/zinc/88/54/35/372885435.db2.gz	APMHBJFUHZIYOJ-CYBMUJFWSA-N	1	3	313.446	-1.064	20	0		DAADHO
CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@H]1CN	ZINC000562822553	372885440	/nfs/dbraw/zinc/88/54/40/372885440.db2.gz	APMHBJFUHZIYOJ-CYBMUJFWSA-N	1	3	313.446	-1.064	20	0		DAADHO
CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN	ZINC000562822556	372885575	/nfs/dbraw/zinc/88/55/75/372885575.db2.gz	APMHBJFUHZIYOJ-ZDUSSCGKSA-N	1	3	313.446	-1.064	20	0		DAADHO
CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN	ZINC000562822556	372885582	/nfs/dbraw/zinc/88/55/82/372885582.db2.gz	APMHBJFUHZIYOJ-ZDUSSCGKSA-N	1	3	313.446	-1.064	20	0		DAADHO
CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C)C[C@@H]3C[NH3+])C[C@@H]21	ZINC000570919173	372919199	/nfs/dbraw/zinc/91/91/99/372919199.db2.gz	FRPDXVLPRWLBKB-AGIUHOORSA-N	1	3	309.414	-1.750	20	0		DAADHO
C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1	ZINC000595993578	373010957	/nfs/dbraw/zinc/01/09/57/373010957.db2.gz	SCVJXMIGDNABPG-GRYCIOLGSA-N	1	3	323.397	-2.081	20	0		DAADHO
C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1	ZINC000595993583	373010849	/nfs/dbraw/zinc/01/08/49/373010849.db2.gz	SCVJXMIGDNABPG-IJLUTSLNSA-N	1	3	323.397	-2.081	20	0		DAADHO
CN1CCN(C[C@@H](O)C[NH2+][C@H](CO)CN2CCCC2)CC1	ZINC000571283907	373141823	/nfs/dbraw/zinc/14/18/23/373141823.db2.gz	FLYFIRINFVCIBA-GJZGRUSLSA-N	1	3	300.447	-1.359	20	0		DAADHO
O=C(CN1CCNCC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000638219726	373210611	/nfs/dbraw/zinc/21/06/11/373210611.db2.gz	KTYNFEXCVVMUQB-NSHDSACASA-N	1	3	323.363	-1.156	20	0		DAADHO
CN(C)CCN1C[C@@H](C(=O)NCCOCCC[NH3+])CC1=O	ZINC000638660261	373234977	/nfs/dbraw/zinc/23/49/77/373234977.db2.gz	BXDIZXLTGKSYIX-LBPRGKRZSA-N	1	3	300.403	-1.122	20	0		DAADHO
CN(C)CCN1C[C@@H](C(=O)N(C)CCOCC[NH3+])CC1=O	ZINC000638676513	373236315	/nfs/dbraw/zinc/23/63/15/373236315.db2.gz	XJSHCSODYKMVNL-LBPRGKRZSA-N	1	3	300.403	-1.170	20	0		DAADHO
CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN	ZINC000571985905	373329181	/nfs/dbraw/zinc/32/91/81/373329181.db2.gz	LFWPQMNGUKYBFG-OLZOCXBDSA-N	1	3	313.446	-1.066	20	0		DAADHO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN	ZINC000571985905	373329187	/nfs/dbraw/zinc/32/91/87/373329187.db2.gz	LFWPQMNGUKYBFG-OLZOCXBDSA-N	1	3	313.446	-1.066	20	0		DAADHO
CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CNCCO1	ZINC000419288678	373319293	/nfs/dbraw/zinc/31/92/93/373319293.db2.gz	RVGSYGWZEKDSMF-LBPRGKRZSA-N	1	3	300.403	-1.061	20	0		DAADHO
CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CNCCO1	ZINC000419288678	373319307	/nfs/dbraw/zinc/31/93/07/373319307.db2.gz	RVGSYGWZEKDSMF-LBPRGKRZSA-N	1	3	300.403	-1.061	20	0		DAADHO
C[NH2+]CCNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1	ZINC000419879081	373323686	/nfs/dbraw/zinc/32/36/86/373323686.db2.gz	SKMRHQXGZUGLAF-LBPRGKRZSA-N	1	3	300.403	-1.109	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccn(C)n1	ZINC000553874096	373510921	/nfs/dbraw/zinc/51/09/21/373510921.db2.gz	ALKWUXXXPXROTM-UHFFFAOYSA-N	1	3	324.429	-1.012	20	0		DAADHO
CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1	ZINC000565727016	373521538	/nfs/dbraw/zinc/52/15/38/373521538.db2.gz	AFTPOZBDRIIXEF-TUAOUCFPSA-N	1	3	310.402	-2.157	20	0		DAADHO
O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1	ZINC000566610374	373531171	/nfs/dbraw/zinc/53/11/71/373531171.db2.gz	QSXZASGNQQGUKL-UHFFFAOYSA-N	1	3	323.397	-2.159	20	0		DAADHO
C[NH+](C)CCOCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1	ZINC000578788029	373586575	/nfs/dbraw/zinc/58/65/75/373586575.db2.gz	ILNOSQQRKMXDHV-NEPJUHHUSA-N	1	3	313.402	-1.482	20	0		DAADHO
C[NH+](C)CCOCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1	ZINC000578788031	373587105	/nfs/dbraw/zinc/58/71/05/373587105.db2.gz	ILNOSQQRKMXDHV-RYUDHWBXSA-N	1	3	313.402	-1.482	20	0		DAADHO
CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN	ZINC000568235194	373541664	/nfs/dbraw/zinc/54/16/64/373541664.db2.gz	JPUJRKFCQLNKQI-ZDUSSCGKSA-N	1	3	313.446	-1.064	20	0		DAADHO
CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN	ZINC000568235194	373541670	/nfs/dbraw/zinc/54/16/70/373541670.db2.gz	JPUJRKFCQLNKQI-ZDUSSCGKSA-N	1	3	313.446	-1.064	20	0		DAADHO
CC(C)[C@H](N)C(=O)NCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1	ZINC000574278913	373559565	/nfs/dbraw/zinc/55/95/65/373559565.db2.gz	LZCNMSSWBFDKJV-JSGCOSHPSA-N	1	3	311.430	-1.408	20	0		DAADHO
CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2	ZINC000633093674	373728340	/nfs/dbraw/zinc/72/83/40/373728340.db2.gz	VXRPATRMGGGORI-KBPBESRZSA-N	1	3	323.441	-1.345	20	0		DAADHO
C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCOCCN(C)C)C[NH2+]1	ZINC000627394130	545829028	/nfs/dbraw/zinc/82/90/28/545829028.db2.gz	XWRUYKMAFFAZST-VXGBXAGGSA-N	1	3	300.403	-1.063	20	0		DAADHO
C[NH+](C)CCN1C[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O	ZINC000655297541	409329074	/nfs/dbraw/zinc/32/90/74/409329074.db2.gz	LNPOBDPWXNYNEY-MELADBBJSA-N	1	3	324.425	-1.326	20	0		DAADHO
C[C@@H](CN1CCN(C)CC1)NC(=O)NCC[N@@H+]1CC[C@H](O)C1	ZINC000636746305	409385402	/nfs/dbraw/zinc/38/54/02/409385402.db2.gz	GPNRJIZTIWPAGC-KBPBESRZSA-N	1	3	313.446	-1.012	20	0		DAADHO
C[C@@H](CN1CCN(C)CC1)NC(=O)NCC[N@H+]1CC[C@H](O)C1	ZINC000636746305	409385409	/nfs/dbraw/zinc/38/54/09/409385409.db2.gz	GPNRJIZTIWPAGC-KBPBESRZSA-N	1	3	313.446	-1.012	20	0		DAADHO
C[NH+](C)CCN1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1=O	ZINC000652734544	409408160	/nfs/dbraw/zinc/40/81/60/409408160.db2.gz	OGEPPRRXLJWRBN-CQSZACIVSA-N	1	3	323.441	-1.391	20	0		DAADHO
O=C(CNC[C@H]1CCCO1)Nc1nc(N2CC[NH2+]CC2)n[nH]1	ZINC000516180487	409556735	/nfs/dbraw/zinc/55/67/35/409556735.db2.gz	YKEISLMQNSLUMS-SNVBAGLBSA-N	1	3	309.374	-1.079	20	0		DAADHO
CCCN1CC[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C1	ZINC000659711384	409692253	/nfs/dbraw/zinc/69/22/53/409692253.db2.gz	XMAQBJCIDRMQJI-ZDUSSCGKSA-N	1	3	311.430	-1.392	20	0		DAADHO
CCN1CCC(NC(=O)CN(CC[NH3+])C[C@@H](O)CO)CC1	ZINC000662287583	409708948	/nfs/dbraw/zinc/70/89/48/409708948.db2.gz	CZECWMXGGSWFGR-CYBMUJFWSA-N	1	3	302.419	-1.799	20	0		DAADHO
C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CCO1	ZINC000649274891	409654832	/nfs/dbraw/zinc/65/48/32/409654832.db2.gz	ZEPXENDVACGBQY-YNEHKIRRSA-N	1	3	312.414	-1.029	20	0		DAADHO
CCN1CCC(NC(=O)CN(CC[NH3+])C[C@H](O)CO)CC1	ZINC000662287584	409711355	/nfs/dbraw/zinc/71/13/55/409711355.db2.gz	CZECWMXGGSWFGR-ZDUSSCGKSA-N	1	3	302.419	-1.799	20	0		DAADHO
C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1	ZINC000659709751	409689831	/nfs/dbraw/zinc/68/98/31/409689831.db2.gz	LNSLBWDCNHTDHE-QWHCGFSZSA-N	1	3	313.446	-1.290	20	0		DAADHO
C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1	ZINC000659688645	409690552	/nfs/dbraw/zinc/69/05/52/409690552.db2.gz	DPTJCNWLWHWTCJ-GFCCVEGCSA-N	1	3	313.446	-1.147	20	0		DAADHO
CN(CCN)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1	ZINC000662960085	409721886	/nfs/dbraw/zinc/72/18/86/409721886.db2.gz	MADKOGMGBCDEMW-GFCCVEGCSA-N	1	3	300.403	-1.027	20	0		DAADHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCS(N)(=O)=O	ZINC000663824502	409728786	/nfs/dbraw/zinc/72/87/86/409728786.db2.gz	OYTCSCSANPQJJR-NSHDSACASA-N	1	3	323.463	-1.154	20	0		DAADHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCS(N)(=O)=O	ZINC000663824502	409728793	/nfs/dbraw/zinc/72/87/93/409728793.db2.gz	OYTCSCSANPQJJR-NSHDSACASA-N	1	3	323.463	-1.154	20	0		DAADHO
CN(C)C[C@H](CO)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000673524553	545866470	/nfs/dbraw/zinc/86/64/70/545866470.db2.gz	YPDMFMAQNJBUJX-NWDGAFQWSA-N	1	3	300.403	-1.565	20	0		DAADHO
COCCN(C)CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1	ZINC000354695859	262568466	/nfs/dbraw/zinc/56/84/66/262568466.db2.gz	RUOJAOQFZIZDSP-LBPRGKRZSA-N	1	3	300.403	-1.061	20	0		DAADHO
COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C[NH3+])C1CC1	ZINC000420024098	263221800	/nfs/dbraw/zinc/22/18/00/263221800.db2.gz	AFPAWKJPOSIMPR-GFCCVEGCSA-N	1	3	300.403	-1.124	20	0		DAADHO
CC(C)Nc1nc(NCCO)nc(N2CC[C@H]3C[NH2+]C[C@H]3C2)n1	ZINC000420253381	263230793	/nfs/dbraw/zinc/23/07/93/263230793.db2.gz	DLRNCFSPSYSABA-RYUDHWBXSA-N	1	3	321.429	-1.014	20	0		DAADHO
CNS(=O)(=O)CCNC(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000526152963	263237453	/nfs/dbraw/zinc/23/74/53/263237453.db2.gz	NVRNDFCFFBZMDD-UHFFFAOYSA-N	1	3	323.463	-1.330	20	0		DAADHO
COCCN(CCN(C)C)C(=O)C(=O)NCC(F)(F)CN	ZINC000420169723	263288608	/nfs/dbraw/zinc/28/86/08/263288608.db2.gz	MNPKXNRCMLDKNV-UHFFFAOYSA-N	1	3	310.345	-1.267	20	0		DAADHO
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1	ZINC000332591657	263304367	/nfs/dbraw/zinc/30/43/67/263304367.db2.gz	GFPLJESYNFIUMI-JHJVBQTASA-N	1	3	310.398	-1.132	20	0		DAADHO
CCN1CCCC[C@H]1CNC(=O)C(=O)N(CC[NH3+])CCO	ZINC000419579902	263309737	/nfs/dbraw/zinc/30/97/37/263309737.db2.gz	GYKOYXRSPKJZSH-LBPRGKRZSA-N	1	3	300.403	-1.243	20	0		DAADHO
CC1CCN(CCNC(=O)C(=O)NC[C@H]2CNCCO2)CC1	ZINC000419407553	263321651	/nfs/dbraw/zinc/32/16/51/263321651.db2.gz	KKIHALUWNRFUAA-CYBMUJFWSA-N	1	3	312.414	-1.061	20	0		DAADHO
CC1CCN(CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1	ZINC000419407553	263321652	/nfs/dbraw/zinc/32/16/52/263321652.db2.gz	KKIHALUWNRFUAA-CYBMUJFWSA-N	1	3	312.414	-1.061	20	0		DAADHO
O=C(CNC[C@@H]1CCCO1)Nc1nc(N2CC[NH2+]CC2)n[nH]1	ZINC000516180485	263322145	/nfs/dbraw/zinc/32/21/45/263322145.db2.gz	YKEISLMQNSLUMS-JTQLQIEISA-N	1	3	309.374	-1.079	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H](C(N)=O)O1	ZINC000584012743	331562478	/nfs/dbraw/zinc/56/24/78/331562478.db2.gz	ZDLSRODMUUEPEH-NEPJUHHUSA-N	1	3	300.403	-1.029	20	0		DAADHO
COCC[N@H+](C)CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1	ZINC000582253066	336395343	/nfs/dbraw/zinc/39/53/43/336395343.db2.gz	BWXPXRJUZDSPBD-RYUDHWBXSA-N	1	3	313.402	-1.482	20	0		DAADHO
COCC[N@@H+](C)CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1	ZINC000582253066	336395344	/nfs/dbraw/zinc/39/53/44/336395344.db2.gz	BWXPXRJUZDSPBD-RYUDHWBXSA-N	1	3	313.402	-1.482	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)CCn1ncn(C)c1=O	ZINC000550720995	341322162	/nfs/dbraw/zinc/32/21/62/341322162.db2.gz	ILZQCWRYNFERPB-UHFFFAOYSA-N	1	3	312.418	-1.076	20	0		DAADHO
CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1	ZINC000565411776	341526778	/nfs/dbraw/zinc/52/67/78/341526778.db2.gz	DCRSQEACYKPLOL-ZDUSSCGKSA-N	1	3	313.446	-1.208	20	0		DAADHO
CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC000566250267	341552076	/nfs/dbraw/zinc/55/20/76/341552076.db2.gz	CWOZEKQUXYMFPM-JSGCOSHPSA-N	1	3	311.430	-1.408	20	0		DAADHO
CNS(=O)(=O)NCC(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000575951108	341816567	/nfs/dbraw/zinc/81/65/67/341816567.db2.gz	SRJZYOSUZYDCPW-UHFFFAOYSA-N	1	3	309.436	-2.008	20	0		DAADHO
COCC[NH2+]CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1	ZINC000237296557	523937677	/nfs/dbraw/zinc/93/76/77/523937677.db2.gz	IVLJKRDNKFCLCC-LBPRGKRZSA-N	1	3	300.403	-1.251	20	0		DAADHO
C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)CCN(C)C	ZINC000659755210	545764115	/nfs/dbraw/zinc/76/41/15/545764115.db2.gz	JHQQKPYZNXNDRY-GFCCVEGCSA-N	1	3	301.435	-1.338	20	0		DAADHO
NCCN(CCO)C(=O)C(=O)NCCC[NH+]1CCCCC1	ZINC000419008233	545766250	/nfs/dbraw/zinc/76/62/50/545766250.db2.gz	VIGDFXWOQMEOIH-UHFFFAOYSA-N	1	3	300.403	-1.242	20	0		DAADHO
CN(C)CCN(CC(=O)N(C)C)C(=O)COC1(C)C[NH2+]C1	ZINC000659356965	545792543	/nfs/dbraw/zinc/79/25/43/545792543.db2.gz	AXUUGXFPZWGYDU-UHFFFAOYSA-N	1	3	300.403	-1.157	20	0		DAADHO
CN(C)C[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000673524552	545866148	/nfs/dbraw/zinc/86/61/48/545866148.db2.gz	YPDMFMAQNJBUJX-NEPJUHHUSA-N	1	3	300.403	-1.565	20	0		DAADHO
CN(CCC[NH+](C)C)CCNS(=O)(=O)N1CCNCC1	ZINC000923657129	663950436	/nfs/dbraw/zinc/95/04/36/663950436.db2.gz	MXPJDAJWPXJIQD-UHFFFAOYSA-N	1	3	307.464	-1.391	20	0		DAADHO
NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1	ZINC001020405897	662306884	/nfs/dbraw/zinc/30/68/84/662306884.db2.gz	DVPPLPNTVWNNKI-BRRYPZQOSA-N	1	3	308.382	-1.428	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCOCC3)C2)C1	ZINC001019772814	662535774	/nfs/dbraw/zinc/53/57/74/662535774.db2.gz	SHCRPFZIAVCKRL-KGLIPLIRSA-N	1	3	324.425	-1.013	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCOCC3)C2)C1	ZINC001019772814	662535777	/nfs/dbraw/zinc/53/57/77/662535777.db2.gz	SHCRPFZIAVCKRL-KGLIPLIRSA-N	1	3	324.425	-1.013	20	0		DAADHO
O=C(CN1CCCC1)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1	ZINC001019774957	662535822	/nfs/dbraw/zinc/53/58/22/662535822.db2.gz	PBVPAVLOXMFZPY-LBPRGKRZSA-N	1	3	323.397	-1.176	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@H]4CCC(=O)NC4=O)C[C@H]32)C1	ZINC001026145823	662543205	/nfs/dbraw/zinc/54/32/05/662543205.db2.gz	MGVOBBGWZXKKLF-JLDUMIBSSA-N	1	3	320.393	-1.210	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@H]4CCC(=O)NC4=O)C[C@H]32)C1	ZINC001026145823	662543207	/nfs/dbraw/zinc/54/32/07/662543207.db2.gz	MGVOBBGWZXKKLF-JLDUMIBSSA-N	1	3	320.393	-1.210	20	0		DAADHO
CN(C)CCN(C)C(=O)C(=O)N(C)C1(C[NH3+])CCOCC1	ZINC000904971111	662792558	/nfs/dbraw/zinc/79/25/58/662792558.db2.gz	OKYSLWSTUJBOAZ-UHFFFAOYSA-N	1	3	300.403	-1.027	20	0		DAADHO
COC[C@@H]1CNCCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000905023780	662794326	/nfs/dbraw/zinc/79/43/26/662794326.db2.gz	VPCZNMSQFJSNIL-KGLIPLIRSA-N	1	3	322.409	-1.094	20	0		DAADHO
CN1CCN(CCNC(=O)C(=O)NCC2([NH3+])CC2)CC1(C)C	ZINC000911096917	663136982	/nfs/dbraw/zinc/13/69/82/663136982.db2.gz	MTPRRBIKAKJIHO-UHFFFAOYSA-N	1	3	311.430	-1.264	20	0		DAADHO
O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2	ZINC000911147815	663137529	/nfs/dbraw/zinc/13/75/29/663137529.db2.gz	JQZFDONIBOBSID-RYMFRWLXSA-N	1	3	322.409	-1.025	20	0		DAADHO
C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1	ZINC000911148479	663137693	/nfs/dbraw/zinc/13/76/93/663137693.db2.gz	PESLKOBAYMIASG-XJFOESAGSA-N	1	3	324.425	-1.063	20	0		DAADHO
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1	ZINC000911148679	663137774	/nfs/dbraw/zinc/13/77/74/663137774.db2.gz	ZSIBYFUOAUOQIB-FFSVYQOJSA-N	1	3	324.425	-1.103	20	0		DAADHO
CC[N@H+](CCNC(=O)C(=O)N1CCNCCNCC1)C1CC1	ZINC000911187354	663138384	/nfs/dbraw/zinc/13/83/84/663138384.db2.gz	OGSYWQBOFLZXHH-UHFFFAOYSA-N	1	3	311.430	-1.392	20	0		DAADHO
CC[N@@H+](CCNC(=O)C(=O)N1CCNCCNCC1)C1CC1	ZINC000911187354	663138385	/nfs/dbraw/zinc/13/83/85/663138385.db2.gz	OGSYWQBOFLZXHH-UHFFFAOYSA-N	1	3	311.430	-1.392	20	0		DAADHO
CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCNCCNCC1	ZINC000911258172	663141066	/nfs/dbraw/zinc/14/10/66/663141066.db2.gz	NUZLBKUWPDWARB-CYBMUJFWSA-N	1	3	313.446	-1.146	20	0		DAADHO
CC1(C)CCN(CCNC(=O)C(=O)N(CC[NH3+])CCO)C1	ZINC000911534337	663147926	/nfs/dbraw/zinc/14/79/26/663147926.db2.gz	UTOLBSFDGGGYRE-UHFFFAOYSA-N	1	3	300.403	-1.386	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)N2CCC(O)(CN[C@H]3CCNC3=O)CC2)C1	ZINC000946928628	663699256	/nfs/dbraw/zinc/69/92/56/663699256.db2.gz	UMPSLOBYIQDSLF-OLZOCXBDSA-N	1	3	324.425	-1.230	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)N2CCC(O)(CN[C@H]3CCNC3=O)CC2)C1	ZINC000946928628	663699258	/nfs/dbraw/zinc/69/92/58/663699258.db2.gz	UMPSLOBYIQDSLF-OLZOCXBDSA-N	1	3	324.425	-1.230	20	0		DAADHO
C[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)N1CCCCC1	ZINC000842015214	663876200	/nfs/dbraw/zinc/87/62/00/663876200.db2.gz	HVRIRTWIQJBLHL-LBPRGKRZSA-N	1	3	300.403	-1.243	20	0		DAADHO
C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1	ZINC000861748108	663917588	/nfs/dbraw/zinc/91/75/88/663917588.db2.gz	FCJZEQRBXPAFPI-LBPRGKRZSA-N	1	3	313.446	-1.066	20	0		DAADHO
C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1	ZINC000861748107	663918164	/nfs/dbraw/zinc/91/81/64/663918164.db2.gz	FCJZEQRBXPAFPI-GFCCVEGCSA-N	1	3	313.446	-1.066	20	0		DAADHO
C[NH+](C)C1CCN(CCNS(=O)(=O)N2CCNCC2)CC1	ZINC000923624804	663937709	/nfs/dbraw/zinc/93/77/09/663937709.db2.gz	UNUCYQXECTVJIS-UHFFFAOYSA-N	1	3	319.475	-1.248	20	0		DAADHO
O=S(=O)(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CNC1	ZINC000923639490	663944052	/nfs/dbraw/zinc/94/40/52/663944052.db2.gz	OLFXZETYPBUJLB-VIFPVBQESA-N	1	3	316.349	-1.286	20	0		DAADHO
O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)N1CCNCC1	ZINC000923672239	663951773	/nfs/dbraw/zinc/95/17/73/663951773.db2.gz	BWYJKDBJHYSPEI-GFCCVEGCSA-N	1	3	318.443	-1.115	20	0		DAADHO
C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1	ZINC000884559985	663964720	/nfs/dbraw/zinc/96/47/20/663964720.db2.gz	KNGKSMSRYYIUNC-MROQNXINSA-N	1	3	310.398	-1.086	20	0		DAADHO
C[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)CN1CCN(C)CC1	ZINC000884669618	663965922	/nfs/dbraw/zinc/96/59/22/663965922.db2.gz	BBEXXUFNLOEJKP-IHRRRGAJSA-N	1	3	323.441	-1.441	20	0		DAADHO
[NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)C1	ZINC000926336644	663982631	/nfs/dbraw/zinc/98/26/31/663982631.db2.gz	ZBAGJSKSKKDDTK-SWLSCSKDSA-N	1	3	310.398	-1.395	20	0		DAADHO
O=C(C(=O)N1CCNCCNCC1)N1CC[N@@H+]2CCC[C@H]2C1	ZINC000926335491	663982669	/nfs/dbraw/zinc/98/26/69/663982669.db2.gz	RSSHUROMIHEDLC-ZDUSSCGKSA-N	1	3	309.414	-1.686	20	0		DAADHO
O=C(C(=O)N1CCNCCNCC1)N1CC[N@H+]2CCC[C@H]2C1	ZINC000926335491	663982671	/nfs/dbraw/zinc/98/26/71/663982671.db2.gz	RSSHUROMIHEDLC-ZDUSSCGKSA-N	1	3	309.414	-1.686	20	0		DAADHO
C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)Cc2c[nH]cn2)C1	ZINC001045418664	678456076	/nfs/dbraw/zinc/45/60/76/678456076.db2.gz	WUYGIPZRNXVPNF-UHFFFAOYSA-N	1	3	323.397	-1.017	20	0		DAADHO
CCN(CC)CC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1	ZINC001045713348	678469720	/nfs/dbraw/zinc/46/97/20/678469720.db2.gz	CZJWZVHCYZJGQK-UHFFFAOYSA-N	1	3	314.430	-1.031	20	0		DAADHO
CC(C)N(C)CC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1	ZINC001045716242	678470151	/nfs/dbraw/zinc/47/01/51/678470151.db2.gz	ANFWFXZSOYKRBB-UHFFFAOYSA-N	1	3	314.430	-1.032	20	0		DAADHO
CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1O	ZINC001049435847	678582148	/nfs/dbraw/zinc/58/21/48/678582148.db2.gz	SYWTYNJRWBFWDZ-STQMWFEESA-N	1	3	323.397	-1.066	20	0		DAADHO
C[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1NCC(N)=O	ZINC001054653739	678634041	/nfs/dbraw/zinc/63/40/41/678634041.db2.gz	FMQHBYSCFPWWHQ-WCQYABFASA-N	1	3	322.413	-1.020	20	0		DAADHO
C[C@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1	ZINC001070275663	678863827	/nfs/dbraw/zinc/86/38/27/678863827.db2.gz	YRTSTSZGWGGZCB-MJBXVCDLSA-N	1	3	322.413	-1.046	20	0		DAADHO
C[C@@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1	ZINC001070275662	678863917	/nfs/dbraw/zinc/86/39/17/678863917.db2.gz	YRTSTSZGWGGZCB-MCIONIFRSA-N	1	3	322.413	-1.046	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1[C@@H]2COC[C@@H]21	ZINC001117398090	782689017	/nfs/dbraw/zinc/68/90/17/782689017.db2.gz	YUYSJNHUWQJTDJ-ITGUQSILSA-N	1	3	312.414	-1.301	20	0		DAADHO
CN1CCN(C)[C@@H](CNC(=O)C(=O)NC[C@H]2COCCN2)C1	ZINC001118865802	782735883	/nfs/dbraw/zinc/73/58/83/782735883.db2.gz	SJIFLYKMNJVQDI-RYUDHWBXSA-N	1	3	313.402	-2.547	20	0		DAADHO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1COCCN1	ZINC001118865802	782735887	/nfs/dbraw/zinc/73/58/87/782735887.db2.gz	SJIFLYKMNJVQDI-RYUDHWBXSA-N	1	3	313.402	-2.547	20	0		DAADHO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1COCCN1	ZINC001118865802	782735894	/nfs/dbraw/zinc/73/58/94/782735894.db2.gz	SJIFLYKMNJVQDI-RYUDHWBXSA-N	1	3	313.402	-2.547	20	0		DAADHO
C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCCCN1CCN(C)CC1	ZINC001118867322	782737484	/nfs/dbraw/zinc/73/74/84/782737484.db2.gz	KFYIEHWTRLJEKF-ZDUSSCGKSA-N	1	3	313.446	-1.064	20	0		DAADHO
CN(CCNCCNS(C)(=O)=O)C(=O)C1CC[NH+](C)CC1	ZINC001267423247	775238916	/nfs/dbraw/zinc/23/89/16/775238916.db2.gz	YIEHCHAPTQHHQJ-UHFFFAOYSA-N	1	3	320.459	-1.075	20	0		DAADHO
CNC(=O)NC(=O)CNCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1	ZINC001267455660	775240189	/nfs/dbraw/zinc/24/01/89/775240189.db2.gz	ARBQDTVWGPZUPK-LLVKDONJSA-N	1	3	313.402	-1.168	20	0		DAADHO
CNC(=O)NC(=O)CNCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001267455660	775240199	/nfs/dbraw/zinc/24/01/99/775240199.db2.gz	ARBQDTVWGPZUPK-LLVKDONJSA-N	1	3	313.402	-1.168	20	0		DAADHO
CN(CC[NH2+]CCNS(C)(=O)=O)C(=O)CN1CCCC1	ZINC001267468704	775244557	/nfs/dbraw/zinc/24/45/57/775244557.db2.gz	BHNBULILXZGEJT-UHFFFAOYSA-N	1	3	306.432	-1.321	20	0		DAADHO
CN(C)CCN1CC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)OCC1=O	ZINC001269247707	775451993	/nfs/dbraw/zinc/45/19/93/775451993.db2.gz	JGNCJZUVWSIPIU-CYBMUJFWSA-N	1	3	324.425	-1.061	20	0		DAADHO
CN(C)CCN1CC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)OCC1=O	ZINC001269247707	775451997	/nfs/dbraw/zinc/45/19/97/775451997.db2.gz	JGNCJZUVWSIPIU-CYBMUJFWSA-N	1	3	324.425	-1.061	20	0		DAADHO
C[C@@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)N1CCN(C)CC1	ZINC001120574901	775734004	/nfs/dbraw/zinc/73/40/04/775734004.db2.gz	SGRXSORCUWCUIN-HOTGVXAUSA-N	1	3	313.490	-1.180	20	0		DAADHO
NC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1	ZINC001127254192	775762945	/nfs/dbraw/zinc/76/29/45/775762945.db2.gz	CZMFZHJMTJNNLU-QWRGUYRKSA-N	1	3	311.386	-1.239	20	0		DAADHO
NC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1	ZINC001127254192	775762964	/nfs/dbraw/zinc/76/29/64/775762964.db2.gz	CZMFZHJMTJNNLU-QWRGUYRKSA-N	1	3	311.386	-1.239	20	0		DAADHO
CCCN(C)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O	ZINC001272566624	775778334	/nfs/dbraw/zinc/77/83/34/775778334.db2.gz	ABYATGTXKIVOBD-QWRGUYRKSA-N	1	3	314.386	-1.800	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCCS(C)(=O)=O)C1	ZINC001272574432	775780471	/nfs/dbraw/zinc/78/04/71/775780471.db2.gz	HKSOMAGRPRWWEB-GHMZBOCLSA-N	1	3	307.416	-1.951	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCCS(C)(=O)=O)C1	ZINC001272574432	775780483	/nfs/dbraw/zinc/78/04/83/775780483.db2.gz	HKSOMAGRPRWWEB-GHMZBOCLSA-N	1	3	307.416	-1.951	20	0		DAADHO
C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(=O)NC(N)=O	ZINC001106705081	775795349	/nfs/dbraw/zinc/79/53/49/775795349.db2.gz	QQBRGKCLDMXASD-NXEZZACHSA-N	1	3	322.369	-1.169	20	0		DAADHO
C[C@H](NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)NC(N)=O	ZINC001127466492	775807249	/nfs/dbraw/zinc/80/72/49/775807249.db2.gz	OPSKBEVJEQTDPF-GXSJLCMTSA-N	1	3	311.386	-1.383	20	0		DAADHO
C[NH+](C)CCn1ccc(C(=O)NCCNCC(=O)N2CCC2)n1	ZINC001127576059	775814270	/nfs/dbraw/zinc/81/42/70/775814270.db2.gz	IPJBFPAUSDVQIB-UHFFFAOYSA-N	1	3	322.413	-1.004	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001127643848	775817787	/nfs/dbraw/zinc/81/77/87/775817787.db2.gz	NVYOZIHRMQXUOY-GMTAPVOTSA-N	1	3	313.402	-1.124	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001127643848	775817800	/nfs/dbraw/zinc/81/78/00/775817800.db2.gz	NVYOZIHRMQXUOY-GMTAPVOTSA-N	1	3	313.402	-1.124	20	0		DAADHO
C[C@@H]1[C@H](C(=O)NCCNCCN(C)S(C)(=O)=O)CC[N@@H+]1C	ZINC001127638501	775818929	/nfs/dbraw/zinc/81/89/29/775818929.db2.gz	KUOBNHFADHCAFN-VXGBXAGGSA-N	1	3	320.459	-1.076	20	0		DAADHO
C[C@@H]1[C@H](C(=O)NCCNCCN(C)S(C)(=O)=O)CC[N@H+]1C	ZINC001127638501	775818934	/nfs/dbraw/zinc/81/89/34/775818934.db2.gz	KUOBNHFADHCAFN-VXGBXAGGSA-N	1	3	320.459	-1.076	20	0		DAADHO
C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCOCC2)CC[N@@H+]1C	ZINC001127690681	775825754	/nfs/dbraw/zinc/82/57/54/775825754.db2.gz	PSIDZJXSJKBGAQ-CHWSQXEVSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCOCC2)CC[N@H+]1C	ZINC001127690681	775825764	/nfs/dbraw/zinc/82/57/64/775825764.db2.gz	PSIDZJXSJKBGAQ-CHWSQXEVSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1O	ZINC001081733878	776118432	/nfs/dbraw/zinc/11/84/32/776118432.db2.gz	ZXVVWDTUVAEQQE-AAEUAGOBSA-N	1	3	323.397	-1.161	20	0		DAADHO
CN(C)C1(C(=O)NCC[NH2+]CCNS(C)(=O)=O)CCC1	ZINC001129363822	776315110	/nfs/dbraw/zinc/31/51/10/776315110.db2.gz	KLWPDGYPHYMOCV-UHFFFAOYSA-N	1	3	306.432	-1.274	20	0		DAADHO
CNC(=O)[C@H](CCCC[NH3+])NC(=O)CCN1CCN(C)CC1	ZINC001157323315	776379944	/nfs/dbraw/zinc/37/99/44/776379944.db2.gz	OPDVLIHDFYPZMA-ZDUSSCGKSA-N	1	3	313.446	-1.016	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C	ZINC001129448578	776470789	/nfs/dbraw/zinc/47/07/89/776470789.db2.gz	BTQPVJOGMYOTDP-KOLCDFICSA-N	1	3	313.402	-1.124	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C	ZINC001129448579	776471095	/nfs/dbraw/zinc/47/10/95/776471095.db2.gz	BTQPVJOGMYOTDP-MWLCHTKSSA-N	1	3	313.402	-1.124	20	0		DAADHO
CC(C)[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)N(C)C	ZINC001129950246	776486430	/nfs/dbraw/zinc/48/64/30/776486430.db2.gz	PEPFFDFMLOOAGG-LBPRGKRZSA-N	1	3	313.402	-1.170	20	0		DAADHO
CCN(CC)CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1	ZINC001130047576	776493025	/nfs/dbraw/zinc/49/30/25/776493025.db2.gz	IKDLDFPDZPCBNI-OLZOCXBDSA-N	1	3	310.402	-1.046	20	0		DAADHO
CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1	ZINC001130107223	776494012	/nfs/dbraw/zinc/49/40/12/776494012.db2.gz	JYDWKMHBIPYOEC-OLZOCXBDSA-N	1	3	310.402	-1.046	20	0		DAADHO
CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC(=O)NC	ZINC001130418969	776509923	/nfs/dbraw/zinc/50/99/23/776509923.db2.gz	DXDFIKIKWLPBTN-UHFFFAOYSA-N	1	3	301.391	-1.122	20	0		DAADHO
CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC(=O)NC	ZINC001130418969	776509927	/nfs/dbraw/zinc/50/99/27/776509927.db2.gz	DXDFIKIKWLPBTN-UHFFFAOYSA-N	1	3	301.391	-1.122	20	0		DAADHO
O=C(NCCN[C@@H]1CCNC1=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131519279	776572004	/nfs/dbraw/zinc/57/20/04/776572004.db2.gz	CJYFPSKBUGUPGY-HFXYEQLZSA-N	1	3	308.382	-1.556	20	0		DAADHO
O=C(NCCN[C@@H]1CCNC1=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1	ZINC001131519279	776572011	/nfs/dbraw/zinc/57/20/11/776572011.db2.gz	CJYFPSKBUGUPGY-HFXYEQLZSA-N	1	3	308.382	-1.556	20	0		DAADHO
O=C(NCCN[C@H]1CCNC1=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131519282	776572219	/nfs/dbraw/zinc/57/22/19/776572219.db2.gz	CJYFPSKBUGUPGY-XWAURUHHSA-N	1	3	308.382	-1.556	20	0		DAADHO
O=C(NCCN[C@H]1CCNC1=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1	ZINC001131519282	776572225	/nfs/dbraw/zinc/57/22/25/776572225.db2.gz	CJYFPSKBUGUPGY-XWAURUHHSA-N	1	3	308.382	-1.556	20	0		DAADHO
COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1	ZINC001131519428	776573405	/nfs/dbraw/zinc/57/34/05/776573405.db2.gz	FETZJAHCEVZWRQ-ICRTXTNUSA-N	1	3	313.398	-1.437	20	0		DAADHO
CN1CC[C@H](NCCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O	ZINC001131521530	776573569	/nfs/dbraw/zinc/57/35/69/776573569.db2.gz	ANKWMBQVYXAHCI-BTJONVMOSA-N	1	3	322.409	-1.214	20	0		DAADHO
CN1CC[C@H](NCCNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1=O	ZINC001131521530	776573574	/nfs/dbraw/zinc/57/35/74/776573574.db2.gz	ANKWMBQVYXAHCI-BTJONVMOSA-N	1	3	322.409	-1.214	20	0		DAADHO
CC[C@@H]([NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1)C(N)=O	ZINC001131521571	776573591	/nfs/dbraw/zinc/57/35/91/776573591.db2.gz	BUWYRGCNWNCJMQ-HFXYEQLZSA-N	1	3	310.398	-1.181	20	0		DAADHO
O=C(NCCN[C@H]1CCCNC1=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131520236	776574091	/nfs/dbraw/zinc/57/40/91/776574091.db2.gz	VQKGBMKFQKATSA-BTJONVMOSA-N	1	3	322.409	-1.166	20	0		DAADHO
O=C(NCCN[C@H]1CCCNC1=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1	ZINC001131520236	776574096	/nfs/dbraw/zinc/57/40/96/776574096.db2.gz	VQKGBMKFQKATSA-BTJONVMOSA-N	1	3	322.409	-1.166	20	0		DAADHO
CC[C@H]([NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1)C(N)=O	ZINC001131521573	776574183	/nfs/dbraw/zinc/57/41/83/776574183.db2.gz	BUWYRGCNWNCJMQ-WVIDZAQPSA-N	1	3	310.398	-1.181	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)CCC[NH+](C)C	ZINC001133040332	776650903	/nfs/dbraw/zinc/65/09/03/776650903.db2.gz	LXITWTINUNVSAD-UHFFFAOYSA-N	1	3	301.391	-1.120	20	0		DAADHO
C[NH+]1CCC(C(=O)NCCNCCNS(C)(=O)=O)CC1	ZINC001133281667	776663449	/nfs/dbraw/zinc/66/34/49/776663449.db2.gz	GUBBLXMIFXIKGT-UHFFFAOYSA-N	1	3	306.432	-1.417	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)C1CC[NH+](C)CC1	ZINC001133285928	776663691	/nfs/dbraw/zinc/66/36/91/776663691.db2.gz	OYHOSVLWHFLXIJ-UHFFFAOYSA-N	1	3	313.402	-1.120	20	0		DAADHO
CC(C)[C@H](C(=O)NCCN[C@H](C)C(=O)NC(N)=O)[NH+](C)C	ZINC001133434432	776667522	/nfs/dbraw/zinc/66/75/22/776667522.db2.gz	QJWVRKQLSWJOQC-NXEZZACHSA-N	1	3	301.391	-1.138	20	0		DAADHO
C[C@@H]1CCN(CC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1	ZINC001133845340	776678599	/nfs/dbraw/zinc/67/85/99/776678599.db2.gz	BWMWCJQUESDZRA-LLVKDONJSA-N	1	3	311.386	-1.414	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001133845328	776679355	/nfs/dbraw/zinc/67/93/55/776679355.db2.gz	BGZOYCYASWBIKO-LLVKDONJSA-N	1	3	313.402	-1.120	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1	ZINC001133845328	776679363	/nfs/dbraw/zinc/67/93/63/776679363.db2.gz	BGZOYCYASWBIKO-LLVKDONJSA-N	1	3	313.402	-1.120	20	0		DAADHO
C[C@H]1CCN(CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)C1	ZINC001133845683	776681151	/nfs/dbraw/zinc/68/11/51/776681151.db2.gz	LPFMIFZLRWOFEF-LBPRGKRZSA-N	1	3	320.459	-1.075	20	0		DAADHO
CCS(=O)(=O)NCCNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C	ZINC001133863782	776681358	/nfs/dbraw/zinc/68/13/58/776681358.db2.gz	PFCZPEYRELPTDW-RYUDHWBXSA-N	1	3	320.459	-1.171	20	0		DAADHO
CCS(=O)(=O)NCCNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C	ZINC001133863782	776681362	/nfs/dbraw/zinc/68/13/62/776681362.db2.gz	PFCZPEYRELPTDW-RYUDHWBXSA-N	1	3	320.459	-1.171	20	0		DAADHO
CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)N(C)C	ZINC001133968046	776686535	/nfs/dbraw/zinc/68/65/35/776686535.db2.gz	LSGZAWWPOCORST-UWVGGRQHSA-N	1	3	301.391	-1.124	20	0		DAADHO
C[NH+]1CCC(CC(=O)NCCNCCNS(C)(=O)=O)CC1	ZINC001134780310	776722129	/nfs/dbraw/zinc/72/21/29/776722129.db2.gz	ABMIPBJDOMJWFQ-UHFFFAOYSA-N	1	3	320.459	-1.027	20	0		DAADHO
CN1CC[C@H](NCCNC(=O)c2cnn(CC[NH+](C)C)c2)C1=O	ZINC001135118462	776737661	/nfs/dbraw/zinc/73/76/61/776737661.db2.gz	OCEQEJHZSUEHRC-ZDUSSCGKSA-N	1	3	322.413	-1.005	20	0		DAADHO
CCNC(=O)CNCCNC(=O)COC1CC[NH+](C)CC1	ZINC001135959615	776775941	/nfs/dbraw/zinc/77/59/41/776775941.db2.gz	RDQJPIXWKDZBEK-UHFFFAOYSA-N	1	3	300.403	-1.061	20	0		DAADHO
O=C([C@@H]1C[C@H](NC[C@H]2CNCCO2)C[NH2+]1)N1CCSC1	ZINC001246088089	776786837	/nfs/dbraw/zinc/78/68/37/776786837.db2.gz	ISAQNXKCHXOJNA-TUAOUCFPSA-N	1	3	300.428	-1.172	20	0		DAADHO
[NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1	ZINC001120420642	779520420	/nfs/dbraw/zinc/52/04/20/779520420.db2.gz	MVWOZBRVBFNRSY-CYDGBPFRSA-N	1	3	310.398	-1.181	20	0		DAADHO
C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)CN1CCN(C)CC1	ZINC001120524346	779524626	/nfs/dbraw/zinc/52/46/26/779524626.db2.gz	JBTDZIRKLBSKBQ-LBPRGKRZSA-N	1	3	311.430	-1.406	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC(=O)NC2CC2)C1	ZINC001151048379	779669705	/nfs/dbraw/zinc/66/97/05/779669705.db2.gz	AOUNTRQPXPVXDV-SNVBAGLBSA-N	1	3	311.386	-1.368	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC(=O)NC2CC2)C1	ZINC001151048379	779669712	/nfs/dbraw/zinc/66/97/12/779669712.db2.gz	AOUNTRQPXPVXDV-SNVBAGLBSA-N	1	3	311.386	-1.368	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)NCCNCCN2CCCS2(=O)=O)C1	ZINC001151049641	779669899	/nfs/dbraw/zinc/66/98/99/779669899.db2.gz	VDVHZAKEIOVOBG-LBPRGKRZSA-N	1	3	318.443	-1.321	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)NCCNCCN2CCCS2(=O)=O)C1	ZINC001151049641	779669906	/nfs/dbraw/zinc/66/99/06/779669906.db2.gz	VDVHZAKEIOVOBG-LBPRGKRZSA-N	1	3	318.443	-1.321	20	0		DAADHO
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CNCc2ccnn2C1	ZINC001157323045	779752511	/nfs/dbraw/zinc/75/25/11/779752511.db2.gz	KBGZWXPBOCJDBO-YPMHNXCESA-N	1	3	322.413	-1.038	20	0		DAADHO
[NH3+]C[C@@]1(F)CCCN(C(=O)[C@H]2COC3(CNC3)CN2)CC1	ZINC001157739814	779759314	/nfs/dbraw/zinc/75/93/14/779759314.db2.gz	KAKNILPXMSZQHT-DGCLKSJQSA-N	1	3	300.378	-1.004	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H](C[NH3+])[C@@H]1C	ZINC001157846343	779759424	/nfs/dbraw/zinc/75/94/24/779759424.db2.gz	HCJWHZCLPUGTLJ-MMWGEVLESA-N	1	3	313.402	-1.720	20	0		DAADHO
NCc1ncn(-c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)n1	ZINC001157928530	779761438	/nfs/dbraw/zinc/76/14/38/779761438.db2.gz	QYQKEWONFNSKTB-UHFFFAOYSA-N	1	3	302.342	-1.044	20	0		DAADHO
O=C([C@@H]1CC[C@]2(C1)CNCCO2)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158091701	779765683	/nfs/dbraw/zinc/76/56/83/779765683.db2.gz	HAVWDTVTUDARQC-WQVCFCJDSA-N	1	3	322.409	-1.164	20	0		DAADHO
O=C([C@H]1COC2(CNC2)CN1)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158093932	779765848	/nfs/dbraw/zinc/76/58/48/779765848.db2.gz	YSAUCPCAAKDBCD-ZWNOBZJWSA-N	1	3	309.370	-2.993	20	0		DAADHO
C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158100912	779766766	/nfs/dbraw/zinc/76/67/66/779766766.db2.gz	CMROEZWHUCZRSC-PGUXBMHVSA-N	1	3	323.397	-1.985	20	0		DAADHO
N[C@H]1CCCCN(CC(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)C1=O	ZINC001158100689	779767198	/nfs/dbraw/zinc/76/71/98/779767198.db2.gz	AIIDMALXCKDQCZ-XHDPSFHLSA-N	1	3	323.397	-1.983	20	0		DAADHO
CN1CCNC[C@@H]1C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158118829	779768011	/nfs/dbraw/zinc/76/80/11/779768011.db2.gz	DQHXXBUEYWAHNI-IAQYHMDHSA-N	1	3	307.398	-2.172	20	0		DAADHO
O=C(C[C@H]1CNCCO1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158118681	779768181	/nfs/dbraw/zinc/76/81/81/779768181.db2.gz	CNOBKKNACLAOIA-NHYWBVRUSA-N	1	3	308.382	-1.697	20	0		DAADHO
O=C([C@@H]1CNC[C@H](F)C1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158112159	779768192	/nfs/dbraw/zinc/76/81/92/779768192.db2.gz	WFXUSTORJDTOGW-RWSFTLGLSA-N	1	3	310.373	-1.128	20	0		DAADHO
CN1CCNC[C@H]1C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158118832	779768205	/nfs/dbraw/zinc/76/82/05/779768205.db2.gz	DQHXXBUEYWAHNI-XHDPSFHLSA-N	1	3	307.398	-2.172	20	0		DAADHO
N[C@@H](Cc1c[nH]cn1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158111499	779768603	/nfs/dbraw/zinc/76/86/03/779768603.db2.gz	ONUQVUBQIWAHHH-NHYWBVRUSA-N	1	3	318.381	-1.782	20	0		DAADHO
N[C@@H](Cc1cnc[nH]1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158111499	779768610	/nfs/dbraw/zinc/76/86/10/779768610.db2.gz	ONUQVUBQIWAHHH-NHYWBVRUSA-N	1	3	318.381	-1.782	20	0		DAADHO
N[C@H](C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)C1CCOCC1	ZINC001158118585	779768938	/nfs/dbraw/zinc/76/89/38/779768938.db2.gz	AWHWLEKHIULRPT-BLLLJJGKSA-N	1	3	322.409	-1.322	20	0		DAADHO
N[C@@H](CC(F)F)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158121481	779769510	/nfs/dbraw/zinc/76/95/10/779769510.db2.gz	UUWCVZURXSQCIV-ISVAXAHUSA-N	1	3	302.325	-1.093	20	0		DAADHO
COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])C2	ZINC001158235413	779772072	/nfs/dbraw/zinc/77/20/72/779772072.db2.gz	IZTQPNSTPLHQJL-KWBADKCTSA-N	1	3	317.411	-1.346	20	0		DAADHO
COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2	ZINC001158235453	779772147	/nfs/dbraw/zinc/77/21/47/779772147.db2.gz	KTEJQGSHDFAJJE-PGUXBMHVSA-N	1	3	309.366	-1.557	20	0		DAADHO
C[C@H](N)C(=O)N[C@H](CCC(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1)C(N)=O	ZINC001158306381	779772367	/nfs/dbraw/zinc/77/23/67/779772367.db2.gz	RNAOYRKMGALFID-UKKRHICBSA-N	1	3	311.386	-2.096	20	0		DAADHO
COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2	ZINC001158235247	779772891	/nfs/dbraw/zinc/77/28/91/779772891.db2.gz	ANHHBQCGQCOZKI-KOZAUXTDSA-N	1	3	323.393	-1.167	20	0		DAADHO
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CNCCN1C	ZINC001158505823	779777243	/nfs/dbraw/zinc/77/72/43/779777243.db2.gz	FVIXKKTYAPRIJM-RVMXOQNASA-N	1	3	310.398	-1.358	20	0		DAADHO
CNC(=O)CN1CCCC12CCN(C(=O)C[C@@H](O)C[NH3+])CC2	ZINC001158890698	779782210	/nfs/dbraw/zinc/78/22/10/779782210.db2.gz	KNCDAQWDWVNBCR-GFCCVEGCSA-N	1	3	312.414	-1.101	20	0		DAADHO
CNC(=O)CN1CCCC12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)CC2	ZINC001158890740	779782237	/nfs/dbraw/zinc/78/22/37/779782237.db2.gz	LRQGIIFMXPJGAJ-STQMWFEESA-N	1	3	323.441	-1.264	20	0		DAADHO
CNC(=O)CN1CCCC12CCN(C(=O)C[C@H](O)C[NH3+])CC2	ZINC001158890699	779782336	/nfs/dbraw/zinc/78/23/36/779782336.db2.gz	KNCDAQWDWVNBCR-LBPRGKRZSA-N	1	3	312.414	-1.101	20	0		DAADHO
N[C@@H](CCC[NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1	ZINC001159267381	779789910	/nfs/dbraw/zinc/78/99/10/779789910.db2.gz	KWRGJLSMDXOSQK-XQQFMLRXSA-N	1	3	320.397	-1.041	20	0		DAADHO
CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H](N)CCC[NH3+]	ZINC001160439245	779806826	/nfs/dbraw/zinc/80/68/26/779806826.db2.gz	ITMQBZXSGXTEOH-VHSXEESVSA-N	1	3	300.359	-1.667	20	0		DAADHO
CS(=O)(=O)N1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1	ZINC001160432004	779806940	/nfs/dbraw/zinc/80/69/40/779806940.db2.gz	KMYWVQJAPVSOSP-JTQLQIEISA-N	1	3	302.400	-2.101	20	0		DAADHO
CS(=O)(=O)N1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CC1	ZINC001160432280	779806955	/nfs/dbraw/zinc/80/69/55/779806955.db2.gz	SMIVCOUYSVTLGF-NSHDSACASA-N	1	3	304.416	-1.583	20	0		DAADHO
CS(=O)(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1	ZINC001160432320	779807082	/nfs/dbraw/zinc/80/70/82/779807082.db2.gz	SUNWBYSYVSLDTN-DGCLKSJQSA-N	1	3	316.427	-1.711	20	0		DAADHO
C[NH2+]CC1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC1	ZINC001160459608	779807732	/nfs/dbraw/zinc/80/77/32/779807732.db2.gz	NTGQPSXLSQHJBQ-ONGXEEELSA-N	1	3	313.402	-1.848	20	0		DAADHO
COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H](N)CCC[NH3+]	ZINC001160494280	779809204	/nfs/dbraw/zinc/80/92/04/779809204.db2.gz	RZXBEILJWNJPNU-WEDXCCLWSA-N	1	3	319.383	-1.331	20	0		DAADHO
CCOC(=O)[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCO1	ZINC001160596248	779812279	/nfs/dbraw/zinc/81/22/79/779812279.db2.gz	DWLYMIGJURIARX-LALPHHSUSA-N	1	3	311.382	-1.024	20	0		DAADHO
CN1CCN(C2CN(C(=O)[C@@H](N)CSCC[NH3+])C2)CC1=O	ZINC001160636240	779814177	/nfs/dbraw/zinc/81/41/77/779814177.db2.gz	PEUDQTNZNLSUAP-NSHDSACASA-N	1	3	315.443	-2.010	20	0		DAADHO
C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@@H]([NH3+])[C@H](O)C1)C(N)=O	ZINC001160654733	779814603	/nfs/dbraw/zinc/81/46/03/779814603.db2.gz	AULBWXFIEIDXTQ-SGIHWFKDSA-N	1	3	315.374	-2.996	20	0		DAADHO
[NH3+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)C[C@H]1O	ZINC001160652397	779814857	/nfs/dbraw/zinc/81/48/57/779814857.db2.gz	DAXKFOXCIXRDLT-OPRDCNLKSA-N	1	3	303.384	-2.316	20	0		DAADHO
O=C(N1CCN2C(=O)COC[C@@H]2C1)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001160790392	779817742	/nfs/dbraw/zinc/81/77/42/779817742.db2.gz	OLJAUYTYDKWKDR-TYNCELHUSA-N	1	3	308.382	-1.745	20	0		DAADHO
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H](CN)OC)C[C@H]1C2	ZINC001160793807	779820337	/nfs/dbraw/zinc/82/03/37/779820337.db2.gz	HYFDVZIGPRYSTA-TVEHIPJCSA-N	1	3	311.382	-1.183	20	0		DAADHO
COC(=O)[C@@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])CCN1C	ZINC001160871271	779821166	/nfs/dbraw/zinc/82/11/66/779821166.db2.gz	TYAOYWCVPYHIQH-UWVGGRQHSA-N	1	3	304.416	-1.679	20	0		DAADHO
[NH3+][C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)CC(F)(F)C1	ZINC001160966779	779822755	/nfs/dbraw/zinc/82/27/55/779822755.db2.gz	BLGCNIJXXLHYHC-RKDXNWHRSA-N	1	3	323.365	-1.042	20	0		DAADHO
NC(=O)NCCC[C@@H](N)C(=O)N(c1ncccn1)C1C[NH2+]C1	ZINC001160916458	779822793	/nfs/dbraw/zinc/82/27/93/779822793.db2.gz	YUCRJHCNNDNVDO-SNVBAGLBSA-N	1	3	307.358	-1.443	20	0		DAADHO
[NH3+][C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)CC(F)(F)C1	ZINC001160966772	779823055	/nfs/dbraw/zinc/82/30/55/779823055.db2.gz	BLGCNIJXXLHYHC-BDAKNGLRSA-N	1	3	323.365	-1.042	20	0		DAADHO
O=C([C@H]1COC2(CNC2)CN1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1	ZINC001160999590	779823236	/nfs/dbraw/zinc/82/32/36/779823236.db2.gz	IACRXISCKJSTJU-NEPJUHHUSA-N	1	3	310.398	-1.968	20	0		DAADHO
NC(=O)NCCC[C@@H](N)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1	ZINC001160999600	779824280	/nfs/dbraw/zinc/82/42/80/779824280.db2.gz	IDRCAXDAOGCSOE-GHMZBOCLSA-N	1	3	313.402	-1.522	20	0		DAADHO
O=C(N1CCC2(CNC(=O)N2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001161083959	779826501	/nfs/dbraw/zinc/82/65/01/779826501.db2.gz	VPBLGXVYODEXKW-IAQYHMDHSA-N	1	3	307.398	-1.141	20	0		DAADHO
CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H](N)CCCNC(N)=O	ZINC001161153312	779829089	/nfs/dbraw/zinc/82/90/89/779829089.db2.gz	HDSHYROJQOVUBZ-JTQLQIEISA-N	1	3	317.390	-1.497	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@](F)(C[NH3+])C1	ZINC001161247085	779830736	/nfs/dbraw/zinc/83/07/36/779830736.db2.gz	WFSCBMBKJQDAAC-YVZVNANGSA-N	1	3	303.338	-2.407	20	0		DAADHO
COC(=O)[C@H]1CN(C(=O)[C@@H](N)CCCC[NH3+])CCN1C(C)=O	ZINC001161295310	779833445	/nfs/dbraw/zinc/83/34/45/779833445.db2.gz	IORCOZGBROKKKB-NWDGAFQWSA-N	1	3	314.386	-1.325	20	0		DAADHO
COC(=O)[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CCN1C(C)=O	ZINC001161297217	779833897	/nfs/dbraw/zinc/83/38/97/779833897.db2.gz	WAZUJUVHPFJRPS-NWDGAFQWSA-N	1	3	324.381	-1.972	20	0		DAADHO
[NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3COC4(CNC4)CN3)C2)CC1	ZINC001161380875	779835290	/nfs/dbraw/zinc/83/52/90/779835290.db2.gz	WJBFFOSXUOLIMR-KGLIPLIRSA-N	1	3	323.441	-1.659	20	0		DAADHO
NCC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1	ZINC001161377523	779835633	/nfs/dbraw/zinc/83/56/33/779835633.db2.gz	GUAKPFZZUSYLRP-KBPBESRZSA-N	1	3	323.441	-1.040	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1	ZINC001161380343	779836280	/nfs/dbraw/zinc/83/62/80/779836280.db2.gz	USZAWJAWAZWUMS-GVXVVHGQSA-N	1	3	311.430	-1.138	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@](C)(C[NH3+])C1	ZINC001161489498	779840022	/nfs/dbraw/zinc/84/00/22/779840022.db2.gz	UCDXMUUVNDPDJV-BHDSKKPTSA-N	1	3	313.402	-1.719	20	0		DAADHO
C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1	ZINC001166677197	779891390	/nfs/dbraw/zinc/89/13/90/779891390.db2.gz	GQADACGOKARAOL-GFCCVEGCSA-N	1	3	320.459	-1.027	20	0		DAADHO
CC[C@@H](C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O)N(C)C	ZINC001166852251	779894500	/nfs/dbraw/zinc/89/45/00/779894500.db2.gz	NPOHUFQRWSJWRQ-NSHDSACASA-N	1	3	313.402	-1.026	20	0		DAADHO
NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1	ZINC001203704808	779897555	/nfs/dbraw/zinc/89/75/55/779897555.db2.gz	DMOKOFDHNLQMAG-UHFFFAOYSA-N	1	3	311.386	-1.142	20	0		DAADHO
C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NC(N)=O	ZINC001216750451	780015290	/nfs/dbraw/zinc/01/52/90/780015290.db2.gz	ZRFPFNXHIUWBTE-GMTAPVOTSA-N	1	3	311.386	-1.431	20	0		DAADHO
C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NC(N)=O	ZINC001216750451	780015295	/nfs/dbraw/zinc/01/52/95/780015295.db2.gz	ZRFPFNXHIUWBTE-GMTAPVOTSA-N	1	3	311.386	-1.431	20	0		DAADHO
N[C@@H](C(=O)Nc1cncc(S(N)(=O)=O)c1)C1CC[NH2+]CC1	ZINC001218751093	780041711	/nfs/dbraw/zinc/04/17/11/780041711.db2.gz	QIKMSFAHQXEUQX-LLVKDONJSA-N	1	3	313.383	-1.006	20	0		DAADHO
NS(=O)(=O)c1cncc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1	ZINC001218750780	780041856	/nfs/dbraw/zinc/04/18/56/780041856.db2.gz	LLBGWADLBPBQEU-SNVBAGLBSA-N	1	3	311.367	-1.524	20	0		DAADHO
O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1COC2(CNC2)CN1	ZINC001219611136	780123058	/nfs/dbraw/zinc/12/30/58/780123058.db2.gz	WHNOXDZWOSSQPA-LDYMZIIASA-N	1	3	308.304	-1.273	20	0		DAADHO
C[C@@H]1C[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)C23CNC3)C[NH2+]1	ZINC001219684357	780133827	/nfs/dbraw/zinc/13/38/27/780133827.db2.gz	MXOAYNHZWCHZMX-MXWKQRLJSA-N	1	3	301.412	-1.123	20	0		DAADHO
C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H]1COC[C@@H]1[NH3+])C(N)=O	ZINC001219720339	780137903	/nfs/dbraw/zinc/13/79/03/780137903.db2.gz	IXFFRXXBKXNSLE-RBXMUDONSA-N	1	3	301.347	-3.074	20	0		DAADHO
O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1COC2(CNC2)CN1	ZINC001219741800	780141865	/nfs/dbraw/zinc/14/18/65/780141865.db2.gz	UTPWIOZYKPIXSN-STQMWFEESA-N	1	3	324.425	-1.266	20	0		DAADHO
N[C@H](CN1CCC([NH3+])CC1)C(=O)NCc1noc2c1CNCC2	ZINC001219811636	780152061	/nfs/dbraw/zinc/15/20/61/780152061.db2.gz	XOELHLUGUWFBNE-GFCCVEGCSA-N	1	3	322.413	-1.313	20	0		DAADHO
N[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219833345	780153453	/nfs/dbraw/zinc/15/34/53/780153453.db2.gz	CCQDRARTRBEHJU-NJZAAPMLSA-N	1	3	323.397	-1.209	20	0		DAADHO
N[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219833343	780153458	/nfs/dbraw/zinc/15/34/58/780153458.db2.gz	CCQDRARTRBEHJU-KYOSRNDESA-N	1	3	323.397	-1.209	20	0		DAADHO
N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219833350	780154004	/nfs/dbraw/zinc/15/40/04/780154004.db2.gz	CCQDRARTRBEHJU-ZLDLUXBVSA-N	1	3	323.397	-1.209	20	0		DAADHO
CN1CCNC[C@@H]1C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219837659	780154594	/nfs/dbraw/zinc/15/45/94/780154594.db2.gz	KORGYRHJIVYIIU-UMVBOHGHSA-N	1	3	312.414	-1.599	20	0		DAADHO
O=C(NCCNC(=O)[C@H]1C[NH2+]CC12CNC2)c1ccncc1	ZINC001219936393	780164373	/nfs/dbraw/zinc/16/43/73/780164373.db2.gz	CLMSMMHJUBLFDO-GFCCVEGCSA-N	1	3	303.366	-1.263	20	0		DAADHO
COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CN1	ZINC001219965566	780168030	/nfs/dbraw/zinc/16/80/30/780168030.db2.gz	RUKZBNMXOURSFZ-WOPDTQHZSA-N	1	3	310.398	-1.120	20	0		DAADHO
COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CN1	ZINC001219965566	780168033	/nfs/dbraw/zinc/16/80/33/780168033.db2.gz	RUKZBNMXOURSFZ-WOPDTQHZSA-N	1	3	310.398	-1.120	20	0		DAADHO
COC(=O)C1(NC(=O)[C@@H](N)CC[S@](C)=O)CC[NH2+]CC1	ZINC001220001274	780169036	/nfs/dbraw/zinc/16/90/36/780169036.db2.gz	OJDOEPFVZJZRQJ-LXGOIASLSA-N	1	3	305.400	-1.506	20	0		DAADHO
COC(=O)C1(NC(=O)[C@H]2COC3(CNC3)CN2)CC[NH2+]CC1	ZINC001219999553	780169277	/nfs/dbraw/zinc/16/92/77/780169277.db2.gz	XDOMMJSYKXNXCG-SNVBAGLBSA-N	1	3	312.370	-2.272	20	0		DAADHO
Cn1c(=O)[nH]c(=O)c(N=O)c1NC(=O)[C@@H]1C[NH2+]CC12CNC2	ZINC001219984610	780169425	/nfs/dbraw/zinc/16/94/25/780169425.db2.gz	QMYDUPRPJRZNIT-LURJTMIESA-N	1	3	308.298	-1.369	20	0		DAADHO
C[C@H](N)C(=O)N1[C@H](C(=O)n2cnc(C[NH3+])cc2=N)COC1(C)C	ZINC001220020469	780171669	/nfs/dbraw/zinc/17/16/69/780171669.db2.gz	JXQVRWAHSRDWKR-WPRPVWTQSA-N	1	3	322.369	-1.228	20	0		DAADHO
Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N	ZINC001220043379	780173226	/nfs/dbraw/zinc/17/32/26/780173226.db2.gz	PFJVMPCSDCXXPO-RCOVLWMOSA-N	1	3	323.357	-2.523	20	0		DAADHO
COC[C@H](O)CN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1	ZINC001220137910	780184046	/nfs/dbraw/zinc/18/40/46/780184046.db2.gz	LOUREXUBPIMHJN-LPWJVIDDSA-N	1	3	301.387	-1.751	20	0		DAADHO
COC[C@H](O)CN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1	ZINC001220137910	780184039	/nfs/dbraw/zinc/18/40/39/780184039.db2.gz	LOUREXUBPIMHJN-LPWJVIDDSA-N	1	3	301.387	-1.751	20	0		DAADHO
N[C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H](CO)Cc1c[nH]cn1	ZINC001220292063	780200483	/nfs/dbraw/zinc/20/04/83/780200483.db2.gz	ZMWSWWHUZAQGAW-CHWSQXEVSA-N	1	3	310.402	-1.820	20	0		DAADHO
N[C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H](CO)Cc1cnc[nH]1	ZINC001220292063	780200488	/nfs/dbraw/zinc/20/04/88/780200488.db2.gz	ZMWSWWHUZAQGAW-CHWSQXEVSA-N	1	3	310.402	-1.820	20	0		DAADHO
C[N@@H+]1CCCN(CCNC(=O)[C@@H](N)CC[S@](C)=O)CC1	ZINC001220306774	780201569	/nfs/dbraw/zinc/20/15/69/780201569.db2.gz	OOKKIZBUNKICPY-YUNKPMOVSA-N	1	3	304.460	-1.164	20	0		DAADHO
C[N@H+]1CCCN(CCNC(=O)[C@@H](N)CC[S@](C)=O)CC1	ZINC001220306774	780201572	/nfs/dbraw/zinc/20/15/72/780201572.db2.gz	OOKKIZBUNKICPY-YUNKPMOVSA-N	1	3	304.460	-1.164	20	0		DAADHO
NC(=O)NCCC[C@H](N)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2	ZINC001220315205	780201613	/nfs/dbraw/zinc/20/16/13/780201613.db2.gz	AOAUSPIQEVMWAR-SUNKGSAMSA-N	1	3	313.402	-1.211	20	0		DAADHO
CC(C)[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C(=O)N1CCOCC1	ZINC001220453479	780216525	/nfs/dbraw/zinc/21/65/25/780216525.db2.gz	DMPUVEIUJCFNIP-OLZOCXBDSA-N	1	3	324.425	-1.205	20	0		DAADHO
CCOC(=O)C1=C(NC(=O)[C@H]2NC(=O)CC23C[NH2+]C3)CCNC1	ZINC001220521372	780223536	/nfs/dbraw/zinc/22/35/36/780223536.db2.gz	FFTHBXYTHZEUFS-GFCCVEGCSA-N	1	3	322.365	-1.609	20	0		DAADHO
CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1COC2(CNC2)CN1	ZINC001220582989	780230158	/nfs/dbraw/zinc/23/01/58/780230158.db2.gz	AUBHKQSQKVQEJD-SNVBAGLBSA-N	1	3	300.359	-2.333	20	0		DAADHO
COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@H]1C[NH2+]CC12CNC2	ZINC001220770497	780247431	/nfs/dbraw/zinc/24/74/31/780247431.db2.gz	XQGIHURZQHMSEE-VXGBXAGGSA-N	1	3	321.381	-1.571	20	0		DAADHO
CCOC(=O)C1=C(NC(=O)CN2CCCC[C@H](N)C2=O)C[NH2+]C1	ZINC001220828270	780250181	/nfs/dbraw/zinc/25/01/81/780250181.db2.gz	JYWCEYHSOMDYFZ-NSHDSACASA-N	1	3	324.381	-1.137	20	0		DAADHO
O=C(NCCOCCN1C(=O)C=CC1=O)[C@@H]1C[NH2+]CC12CNC2	ZINC001220877415	780256150	/nfs/dbraw/zinc/25/61/50/780256150.db2.gz	ZDNYLJPFCNLWAT-NSHDSACASA-N	1	3	322.365	-2.147	20	0		DAADHO
C[S@](=O)CC[C@H](N)C(=O)NCCN(CC[NH3+])N(O)N=O	ZINC001220903500	780259185	/nfs/dbraw/zinc/25/91/85/780259185.db2.gz	SXIWBRYUGGTPDE-FHZGZLOMSA-N	1	3	310.380	-2.253	20	0		DAADHO
O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C12CNC2	ZINC001220936133	780260275	/nfs/dbraw/zinc/26/02/75/780260275.db2.gz	CVAUDJLNMTXOCZ-QWRGUYRKSA-N	1	3	317.411	-1.742	20	0		DAADHO
CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@@H]1C[NH2+]CC12CNC2	ZINC001220961117	780264776	/nfs/dbraw/zinc/26/47/76/780264776.db2.gz	ZYAPZEAPKVFFAA-WOPDTQHZSA-N	1	3	311.382	-1.120	20	0		DAADHO
COC(=O)CC[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)C(N)=O	ZINC001221018474	780271482	/nfs/dbraw/zinc/27/14/82/780271482.db2.gz	DEGLDQSSZMCRQS-GXSJLCMTSA-N	1	3	300.359	-1.763	20	0		DAADHO
CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H](CCC[NH3+])C(=O)OC	ZINC001221190538	780284810	/nfs/dbraw/zinc/28/48/10/780284810.db2.gz	RBQJHBGWQPZNGM-NHCYSSNCSA-N	1	3	316.402	-1.127	20	0		DAADHO
O=C(NCCN1CCCS1(=O)=O)[C@H]1C[NH2+]CC12CNC2	ZINC001221335211	780290282	/nfs/dbraw/zinc/29/02/82/780290282.db2.gz	DLAKCMDNQJMDAL-SNVBAGLBSA-N	1	3	302.400	-2.053	20	0		DAADHO
O=C(NCCN1CCCS1(=O)=O)[C@@H]1C[NH2+]CC12CNC2	ZINC001221335210	780290622	/nfs/dbraw/zinc/29/06/22/780290622.db2.gz	DLAKCMDNQJMDAL-JTQLQIEISA-N	1	3	302.400	-2.053	20	0		DAADHO
N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)CF	ZINC001221338477	780291809	/nfs/dbraw/zinc/29/18/09/780291809.db2.gz	QMXZKCUDJSOHCF-SRVKXCTJSA-N	1	3	318.393	-1.120	20	0		DAADHO
N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H](O)CF	ZINC001221338482	780292241	/nfs/dbraw/zinc/29/22/41/780292241.db2.gz	QMXZKCUDJSOHCF-WOPDTQHZSA-N	1	3	318.393	-1.120	20	0		DAADHO
CCOC(=O)C[C@]1([N-]S(=O)(=O)[C@H]2CC[NH2+]C2)CC[NH2+]C1	ZINC001238220471	780434649	/nfs/dbraw/zinc/43/46/49/780434649.db2.gz	LASOYWHXNLBOGX-CMPLNLGQSA-N	1	3	305.400	-1.047	20	0		DAADHO
O=S(=O)(C1CC[NH2+]CC1)N1CCOC[C@@]2(CNCCO2)C1	ZINC001239000951	780440837	/nfs/dbraw/zinc/44/08/37/780440837.db2.gz	PQTRFFMJLFXQGK-CYBMUJFWSA-N	1	3	319.427	-1.241	20	0		DAADHO
CCOC(=O)[C@H]1CN(S(=O)(=O)CCN)CCC12C[NH2+]C2	ZINC001239182646	780443828	/nfs/dbraw/zinc/44/38/28/780443828.db2.gz	ZJVNKLBUYBKNNC-SNVBAGLBSA-N	1	3	305.400	-1.251	20	0		DAADHO
CCOC(=O)[C@H]1CNCCN1C[C@@H](O)CC1(O)CC[NH2+]CC1	ZINC001246031590	780447573	/nfs/dbraw/zinc/44/75/73/780447573.db2.gz	REMOMBQAXNFYBY-QWHCGFSZSA-N	1	3	315.414	-1.311	20	0		DAADHO
CCOC(=O)[C@H]1CNCCN1C[C@H](O)CC1(O)CC[NH2+]CC1	ZINC001246031572	780448075	/nfs/dbraw/zinc/44/80/75/780448075.db2.gz	REMOMBQAXNFYBY-CHWSQXEVSA-N	1	3	315.414	-1.311	20	0		DAADHO
COC(=O)C1C[C@@H]2CC(N3CCNC(=O)C34CNC4)C[C@H](C1)[NH2+]2	ZINC001246638812	780457114	/nfs/dbraw/zinc/45/71/14/780457114.db2.gz	UJAKFTYSQXHPLM-UNTZMWQOSA-N	1	3	322.409	-1.168	20	0		DAADHO
O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1C[NH2+]CCOC1)O3	ZINC001247012930	780459157	/nfs/dbraw/zinc/45/91/57/780459157.db2.gz	VGMBGWFDOAXLKG-WYUUTHIRSA-N	1	3	303.384	-1.880	20	0		DAADHO
C[C@@H]1O[C@@H](OCCN[C@@H]2CCC[N@H+](C)CC2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC001254514072	780488176	/nfs/dbraw/zinc/48/81/76/780488176.db2.gz	IYPWQAOHUUSWPK-RUDNTAQLSA-N	1	3	318.414	-1.096	20	0		DAADHO
C[C@@H]1O[C@@H](OCCN[C@@H]2CCC[N@@H+](C)CC2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC001254514072	780488180	/nfs/dbraw/zinc/48/81/80/780488180.db2.gz	IYPWQAOHUUSWPK-RUDNTAQLSA-N	1	3	318.414	-1.096	20	0		DAADHO
[NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1	ZINC001262067033	780567180	/nfs/dbraw/zinc/56/71/80/780567180.db2.gz	QIGJNHHILZPIJQ-LPWJVIDDSA-N	1	3	310.398	-1.181	20	0		DAADHO
CCN(CC)CCN(C(N)=[NH2+])C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	ZINC001146631608	781418832	/nfs/dbraw/zinc/41/88/32/781418832.db2.gz	GQBTYNPJONWHPB-IJLUTSLNSA-N	1	3	314.386	-1.537	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)NCCNC(=O)COCC[NH+](C)C	ZINC001147892926	781458429	/nfs/dbraw/zinc/45/84/29/781458429.db2.gz	KZZOIBBSDFLEGH-JTQLQIEISA-N	1	3	317.390	-1.886	20	0		DAADHO
CCN1CC[C@@H](NCCNC(=O)COCC[NH+](C)C)C1=O	ZINC001147893433	781458971	/nfs/dbraw/zinc/45/89/71/781458971.db2.gz	QFKNLOVHFWFQMN-GFCCVEGCSA-N	1	3	300.403	-1.109	20	0		DAADHO
C[N@@H+]1CC[C@H](CC(=O)NCCNCCNS(C)(=O)=O)C1	ZINC001147893355	781459098	/nfs/dbraw/zinc/45/90/98/781459098.db2.gz	OQLRTCSYWWCJGQ-LLVKDONJSA-N	1	3	306.432	-1.417	20	0		DAADHO
C[N@H+]1CC[C@H](CC(=O)NCCNCCNS(C)(=O)=O)C1	ZINC001147893355	781459105	/nfs/dbraw/zinc/45/91/05/781459105.db2.gz	OQLRTCSYWWCJGQ-LLVKDONJSA-N	1	3	306.432	-1.417	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001147899984	781460970	/nfs/dbraw/zinc/46/09/70/781460970.db2.gz	FTMFXFRYTCRGAL-WDEREUQCSA-N	1	3	313.402	-1.122	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001147899984	781460975	/nfs/dbraw/zinc/46/09/75/781460975.db2.gz	FTMFXFRYTCRGAL-WDEREUQCSA-N	1	3	313.402	-1.122	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001147877423	781461220	/nfs/dbraw/zinc/46/12/20/781461220.db2.gz	JUPYFNXALQOKKN-LLVKDONJSA-N	1	3	313.402	-1.120	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001147877423	781461226	/nfs/dbraw/zinc/46/12/26/781461226.db2.gz	JUPYFNXALQOKKN-LLVKDONJSA-N	1	3	313.402	-1.120	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2	ZINC001147977123	781461385	/nfs/dbraw/zinc/46/13/85/781461385.db2.gz	JWRQDWMTPRDAIG-UHFFFAOYSA-N	1	3	311.386	-1.366	20	0		DAADHO
C[N@@H+]1CC[C@H](CC(=O)NCCNCC(=O)N2CCOCC2)C1	ZINC001147877208	781461861	/nfs/dbraw/zinc/46/18/61/781461861.db2.gz	GSDAXPOGUXXQRI-CYBMUJFWSA-N	1	3	312.414	-1.107	20	0		DAADHO
C[N@H+]1CC[C@H](CC(=O)NCCNCC(=O)N2CCOCC2)C1	ZINC001147877208	781461866	/nfs/dbraw/zinc/46/18/66/781461866.db2.gz	GSDAXPOGUXXQRI-CYBMUJFWSA-N	1	3	312.414	-1.107	20	0		DAADHO
C[NH+](C)CCCCC(=O)NCCNCCNS(C)(=O)=O	ZINC001148364853	781470036	/nfs/dbraw/zinc/47/00/36/781470036.db2.gz	FFWJLFWHVHSTFU-UHFFFAOYSA-N	1	3	308.448	-1.027	20	0		DAADHO
CNC(=O)NC(=O)CNCCNC(=O)CCCC[NH+](C)C	ZINC001148359940	781470585	/nfs/dbraw/zinc/47/05/85/781470585.db2.gz	HOGFEXHGUCCKPX-UHFFFAOYSA-N	1	3	301.391	-1.120	20	0		DAADHO
CCCN(C)CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O	ZINC001148642021	781475936	/nfs/dbraw/zinc/47/59/36/781475936.db2.gz	BYHBTDGMXUFKBP-UHFFFAOYSA-N	1	3	313.402	-1.024	20	0		DAADHO
CCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC	ZINC001148656249	781476482	/nfs/dbraw/zinc/47/64/82/781476482.db2.gz	XYRAYTNNVXMITB-JTQLQIEISA-N	1	3	301.391	-1.122	20	0		DAADHO
C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@@H]1CCCN1C	ZINC001178356248	781645770	/nfs/dbraw/zinc/64/57/70/781645770.db2.gz	KHQHLDNENFMEIU-DCAQKATOSA-N	1	3	311.386	-1.146	20	0		DAADHO
CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001151044069	781687003	/nfs/dbraw/zinc/68/70/03/781687003.db2.gz	NEZYGOIHQZFOBO-MNOVXSKESA-N	1	3	313.402	-1.122	20	0		DAADHO
CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001151044069	781687006	/nfs/dbraw/zinc/68/70/06/781687006.db2.gz	NEZYGOIHQZFOBO-MNOVXSKESA-N	1	3	313.402	-1.122	20	0		DAADHO
C[C@H]1CN(C(=O)CNCCNC(=O)[C@@H]2CC[N@H+](C)C2)CCO1	ZINC001151064969	781695151	/nfs/dbraw/zinc/69/51/51/781695151.db2.gz	GJVPUUIEOZFCPS-QWHCGFSZSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[C@H]1CN(C(=O)CNCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CCO1	ZINC001151064969	781695156	/nfs/dbraw/zinc/69/51/56/781695156.db2.gz	GJVPUUIEOZFCPS-QWHCGFSZSA-N	1	3	312.414	-1.109	20	0		DAADHO
CN(CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)C1CCC1	ZINC001183288759	781724429	/nfs/dbraw/zinc/72/44/29/781724429.db2.gz	NIPYPJXFQCQZIJ-SNVBAGLBSA-N	1	3	311.386	-1.144	20	0		DAADHO
CC(C)[C@@H](C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1)[NH+](C)C	ZINC001183437211	781725628	/nfs/dbraw/zinc/72/56/28/781725628.db2.gz	UOCMLNOHTOEFOR-PWSUYJOCSA-N	1	3	313.402	-1.042	20	0		DAADHO
CCN(CC)CCN(C(N)=[NH2+])C(=O)C[C@@H]1NC(=O)CNC1=O	ZINC001183730910	781735127	/nfs/dbraw/zinc/73/51/27/781735127.db2.gz	ZQEFKZMDBMUOAP-VIFPVBQESA-N	1	3	312.374	-1.945	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1	ZINC001185401911	781761521	/nfs/dbraw/zinc/76/15/21/781761521.db2.gz	YSRCQTCBJQAWLY-WDEREUQCSA-N	1	3	313.402	-1.027	20	0		DAADHO
CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1	ZINC001186459771	781778700	/nfs/dbraw/zinc/77/87/00/781778700.db2.gz	ZUNHBVTZCWYJIY-LLVKDONJSA-N	1	3	313.402	-1.026	20	0		DAADHO
CCNC(=O)CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1	ZINC001187114912	781795495	/nfs/dbraw/zinc/79/54/95/781795495.db2.gz	BNRWEKAPJCJFKC-GFCCVEGCSA-N	1	3	300.403	-1.109	20	0		DAADHO
CN1CC[C@H](N[C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O	ZINC001187107221	781796154	/nfs/dbraw/zinc/79/61/54/781796154.db2.gz	XSQQBUAXKYMODG-OLZOCXBDSA-N	1	3	312.414	-1.014	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCCNS(C)(=O)=O)C2)C1	ZINC001187824896	781807606	/nfs/dbraw/zinc/80/76/06/781807606.db2.gz	BRFPJQAHDDJROY-VXGBXAGGSA-N	1	3	318.443	-1.322	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCCNS(C)(=O)=O)C2)C1	ZINC001187824896	781807609	/nfs/dbraw/zinc/80/76/09/781807609.db2.gz	BRFPJQAHDDJROY-VXGBXAGGSA-N	1	3	318.443	-1.322	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](NCCNS(C)(=O)=O)C2)C1	ZINC001317309044	916288840	/nfs/dbraw/zinc/28/88/40/916288840.db2.gz	BRFPJQAHDDJROY-NEPJUHHUSA-N	1	3	318.443	-1.322	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NCCNS(C)(=O)=O)C2)C1	ZINC001317309044	916288862	/nfs/dbraw/zinc/28/88/62/916288862.db2.gz	BRFPJQAHDDJROY-NEPJUHHUSA-N	1	3	318.443	-1.322	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NCCNS(C)(=O)=O)C2)C1	ZINC001317309045	916290233	/nfs/dbraw/zinc/29/02/33/916290233.db2.gz	BRFPJQAHDDJROY-RYUDHWBXSA-N	1	3	318.443	-1.322	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NCCNS(C)(=O)=O)C2)C1	ZINC001317309045	916290250	/nfs/dbraw/zinc/29/02/50/916290250.db2.gz	BRFPJQAHDDJROY-RYUDHWBXSA-N	1	3	318.443	-1.322	20	0		DAADHO
CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1	ZINC001327525294	917022721	/nfs/dbraw/zinc/02/27/21/917022721.db2.gz	SWXWCFDGMZVMGQ-ZDUSSCGKSA-N	1	3	311.430	-1.440	20	0		DAADHO
C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)CN1CCN(C)CC1	ZINC001329453306	917169675	/nfs/dbraw/zinc/16/96/75/917169675.db2.gz	BMTBMWHDULNINT-QWHCGFSZSA-N	1	3	311.430	-1.536	20	0		DAADHO
C[C@H](CNC(=O)CC[NH+](C)C)N(C)CCN1C(=O)CNC1=O	ZINC001329531860	917178631	/nfs/dbraw/zinc/17/86/31/917178631.db2.gz	MXANAVZRBJSSKC-LLVKDONJSA-N	1	3	313.402	-1.074	20	0		DAADHO
[NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1	ZINC001331168203	917283621	/nfs/dbraw/zinc/28/36/21/917283621.db2.gz	QIGJNHHILZPIJQ-RNJOBUHISA-N	1	3	310.398	-1.181	20	0		DAADHO
C[C@H]([NH3+])CCNC(=O)C(=O)N(C)CCCN1CCN(C)CC1	ZINC001331319547	917290465	/nfs/dbraw/zinc/29/04/65/917290465.db2.gz	NZIBGFCUXUATQX-ZDUSSCGKSA-N	1	3	313.446	-1.064	20	0		DAADHO
CN1CCN(CCCCNS(=O)(=O)N2CC[NH2+]CC2)CC1	ZINC001332365437	917366630	/nfs/dbraw/zinc/36/66/30/917366630.db2.gz	SOLNAZBIIFQVAO-UHFFFAOYSA-N	1	3	319.475	-1.246	20	0		DAADHO
C[C@H](NC(=O)C(=O)N1CCNCCNCC1)C1=CC[N@H+](C)CC1	ZINC001335187607	917529692	/nfs/dbraw/zinc/52/96/92/917529692.db2.gz	NJWKJYOXKZZFLJ-ZDUSSCGKSA-N	1	3	323.441	-1.226	20	0		DAADHO
C[C@H](NC(=O)C(=O)N1CCNCCNCC1)C1=CC[N@@H+](C)CC1	ZINC001335187607	917529707	/nfs/dbraw/zinc/52/97/07/917529707.db2.gz	NJWKJYOXKZZFLJ-ZDUSSCGKSA-N	1	3	323.441	-1.226	20	0		DAADHO
CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCC1([NH3+])CC1	ZINC001336633382	917598047	/nfs/dbraw/zinc/59/80/47/917598047.db2.gz	KQWWGQWWGZCCDQ-UHFFFAOYSA-N	1	3	311.430	-1.310	20	0		DAADHO
CN1CCN(CCCNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1	ZINC001341733723	917762841	/nfs/dbraw/zinc/76/28/41/917762841.db2.gz	RFYTWWPSVJCZRM-CYBMUJFWSA-N	1	3	323.441	-1.440	20	0		DAADHO
C[C@H]1C[C@@H](NC(=O)C(=O)N2CCNCCNCC2)CC[N@@H+]1C	ZINC001345911107	917865549	/nfs/dbraw/zinc/86/55/49/917865549.db2.gz	IDBLTGFWDZPHMR-STQMWFEESA-N	1	3	311.430	-1.393	20	0		DAADHO
C[C@H]1C[C@@H](NC(=O)C(=O)N2CCNCCNCC2)CC[N@H+]1C	ZINC001345911107	917865553	/nfs/dbraw/zinc/86/55/53/917865553.db2.gz	IDBLTGFWDZPHMR-STQMWFEESA-N	1	3	311.430	-1.393	20	0		DAADHO
C[C@@H]1C[C@H](NC(=O)C(=O)N2CCNCCNCC2)CC[N@@H+]1C	ZINC001345911104	917866596	/nfs/dbraw/zinc/86/65/96/917866596.db2.gz	IDBLTGFWDZPHMR-CHWSQXEVSA-N	1	3	311.430	-1.393	20	0		DAADHO
C[C@@H]1C[C@H](NC(=O)C(=O)N2CCNCCNCC2)CC[N@H+]1C	ZINC001345911104	917866610	/nfs/dbraw/zinc/86/66/10/917866610.db2.gz	IDBLTGFWDZPHMR-CHWSQXEVSA-N	1	3	311.430	-1.393	20	0		DAADHO
C[C@H](CN1CCN(C)CC1)NC(=O)N1CCNCC[NH2+]CC1	ZINC001346286916	917880304	/nfs/dbraw/zinc/88/03/04/917880304.db2.gz	HDTCWTXOKLZBRG-CQSZACIVSA-N	1	3	312.462	-1.173	20	0		DAADHO
C[C@@H](CN1CCN(C)CC1)NC(=O)N1CCNCC[NH2+]CC1	ZINC001346286909	917880582	/nfs/dbraw/zinc/88/05/82/917880582.db2.gz	HDTCWTXOKLZBRG-AWEZNQCLSA-N	1	3	312.462	-1.173	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)NC[C@H](NCC(=O)NC(N)=O)C2CC2)C1	ZINC001366075202	919276851	/nfs/dbraw/zinc/27/68/51/919276851.db2.gz	FWLXLCVMFIBBSP-MNOVXSKESA-N	1	3	311.386	-1.383	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)NC[C@H](NCC(=O)NC(N)=O)C2CC2)C1	ZINC001366075202	919276864	/nfs/dbraw/zinc/27/68/64/919276864.db2.gz	FWLXLCVMFIBBSP-MNOVXSKESA-N	1	3	311.386	-1.383	20	0		DAADHO
CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(=O)NC	ZINC001367140966	919437261	/nfs/dbraw/zinc/43/72/61/919437261.db2.gz	OAXMSAUCYTXNAQ-MNOVXSKESA-N	1	3	313.402	-1.122	20	0		DAADHO
CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(=O)NC	ZINC001367140966	919437270	/nfs/dbraw/zinc/43/72/70/919437270.db2.gz	OAXMSAUCYTXNAQ-MNOVXSKESA-N	1	3	313.402	-1.122	20	0		DAADHO
C[NH+](C)CC1(C(=O)NC[C@H](O)CNCC(=O)NC(N)=O)CC1	ZINC001367603386	919518229	/nfs/dbraw/zinc/51/82/29/919518229.db2.gz	RCNMTVKLRFQSGF-SECBINFHSA-N	1	3	315.374	-2.410	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001367670101	919549664	/nfs/dbraw/zinc/54/96/64/919549664.db2.gz	GNGCQUFMBSSTAZ-GMTAPVOTSA-N	1	3	313.402	-1.124	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001367670101	919549678	/nfs/dbraw/zinc/54/96/78/919549678.db2.gz	GNGCQUFMBSSTAZ-GMTAPVOTSA-N	1	3	313.402	-1.124	20	0		DAADHO
NC(=O)NC(=O)CNC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2	ZINC001368130267	919618045	/nfs/dbraw/zinc/61/80/45/919618045.db2.gz	YLAVCGOLPPHTTM-NSHDSACASA-N	1	3	323.397	-1.142	20	0		DAADHO
CC[C@@H](C(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O)N(C)C	ZINC001368393506	919713988	/nfs/dbraw/zinc/71/39/88/919713988.db2.gz	FUIWEQTYILWSAW-NEPJUHHUSA-N	1	3	300.403	-1.374	20	0		DAADHO
Cn1ccc(CN[C@@H](CO)CNC(=O)CC[NH+](C)C)cc1=O	ZINC001369350008	919886583	/nfs/dbraw/zinc/88/65/83/919886583.db2.gz	QTFCIRCOFQFJFA-CYBMUJFWSA-N	1	3	310.398	-1.096	20	0		DAADHO
CN(CC(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)CC(C)(C)C	ZINC001369474278	919948092	/nfs/dbraw/zinc/94/80/92/919948092.db2.gz	JAGXCHDLTSVXPI-LLVKDONJSA-N	1	3	302.419	-1.142	20	0		DAADHO
C[C@H](NC[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1)C(N)=O	ZINC001369478674	919954951	/nfs/dbraw/zinc/95/49/51/919954951.db2.gz	AQOHCHBTQJJAHU-CMPLNLGQSA-N	1	3	300.403	-1.389	20	0		DAADHO
CC[N@H+](C)CCC(=O)N(C)C[C@@H](O)CN[C@@H]1CCNC1=O	ZINC001369481304	919956630	/nfs/dbraw/zinc/95/66/30/919956630.db2.gz	QBZGNUCFFKMVPO-NWDGAFQWSA-N	1	3	300.403	-1.374	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N(C)C[C@@H](O)CN[C@@H]1CCNC1=O	ZINC001369481304	919956645	/nfs/dbraw/zinc/95/66/45/919956645.db2.gz	QBZGNUCFFKMVPO-NWDGAFQWSA-N	1	3	300.403	-1.374	20	0		DAADHO
CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)CCC[NH+](C)C	ZINC001369483800	919956881	/nfs/dbraw/zinc/95/68/81/919956881.db2.gz	MGYKXMNFKDDXCN-VXGBXAGGSA-N	1	3	300.403	-1.374	20	0		DAADHO
CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O)N(C)C	ZINC001371463078	920263509	/nfs/dbraw/zinc/26/35/09/920263509.db2.gz	VGJGIYLXKCCYNL-FRRDWIJNSA-N	1	3	314.430	-1.034	20	0		DAADHO
C[C@@H](NCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)NC(N)=O	ZINC001372942580	920438671	/nfs/dbraw/zinc/43/86/71/920438671.db2.gz	FXIHHHZLXAZILA-WDEREUQCSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@@H](NCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)C(=O)NC(N)=O	ZINC001372942580	920438684	/nfs/dbraw/zinc/43/86/84/920438684.db2.gz	FXIHHHZLXAZILA-WDEREUQCSA-N	1	3	313.402	-1.040	20	0		DAADHO
CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(N)=O	ZINC001375751131	920806251	/nfs/dbraw/zinc/80/62/51/920806251.db2.gz	RWCMFHLRAWAOGE-MNOVXSKESA-N	1	3	311.386	-1.144	20	0		DAADHO
CNC(=O)[C@H](C)NCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001376546213	920976193	/nfs/dbraw/zinc/97/61/93/920976193.db2.gz	DKXPYQUIJCUJKW-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
CNC(=O)[C@H](C)NCCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001376546213	920976205	/nfs/dbraw/zinc/97/62/05/920976205.db2.gz	DKXPYQUIJCUJKW-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
CNC(=O)[C@@H](C)NCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001376546206	920976263	/nfs/dbraw/zinc/97/62/63/920976263.db2.gz	DKXPYQUIJCUJKW-OLZOCXBDSA-N	1	3	314.430	-1.127	20	0		DAADHO
CNC(=O)[C@@H](C)NCCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001376546206	920976275	/nfs/dbraw/zinc/97/62/75/920976275.db2.gz	DKXPYQUIJCUJKW-OLZOCXBDSA-N	1	3	314.430	-1.127	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)N[C@H](C)CNC(=O)CC[NH+](C)C	ZINC001376809042	921033289	/nfs/dbraw/zinc/03/32/89/921033289.db2.gz	KRPTVRYWMQJDNV-ZJUUUORDSA-N	1	3	301.391	-1.124	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)N[C@@H](C)CNC(=O)CC[NH+](C)C	ZINC001376809036	921035264	/nfs/dbraw/zinc/03/52/64/921035264.db2.gz	KRPTVRYWMQJDNV-UWVGGRQHSA-N	1	3	301.391	-1.124	20	0		DAADHO
CN(C)C(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1	ZINC001376857012	921046046	/nfs/dbraw/zinc/04/60/46/921046046.db2.gz	CGUPYWXWTMDMAO-CHWSQXEVSA-N	1	3	312.414	-1.157	20	0		DAADHO
CN(C)C(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1	ZINC001376857012	921046056	/nfs/dbraw/zinc/04/60/56/921046056.db2.gz	CGUPYWXWTMDMAO-CHWSQXEVSA-N	1	3	312.414	-1.157	20	0		DAADHO
CN(CC(=O)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O)C1CCC1	ZINC001379206502	922070426	/nfs/dbraw/zinc/07/04/26/922070426.db2.gz	ODECZFPZFBALPQ-OLZOCXBDSA-N	1	3	312.414	-1.184	20	0		DAADHO
C[C@@H]1CCN(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)C1	ZINC001379241010	922094043	/nfs/dbraw/zinc/09/40/43/922094043.db2.gz	JNHXXRJKYAWZPB-NEPJUHHUSA-N	1	3	300.403	-1.517	20	0		DAADHO
C[NH+]1CCC(CC(=O)NC[C@H](O)CN[C@H]2CCNC2=O)CC1	ZINC001379258430	922100273	/nfs/dbraw/zinc/10/02/73/922100273.db2.gz	PKWHJQDJPIDRGT-OLZOCXBDSA-N	1	3	312.414	-1.327	20	0		DAADHO
O=C(CNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)N1CCCC1	ZINC001379253457	922101909	/nfs/dbraw/zinc/10/19/09/922101909.db2.gz	ANZLWRJEFGKQSP-CYBMUJFWSA-N	1	3	324.425	-1.229	20	0		DAADHO
C[NH+]1CCC(CC(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)CC1	ZINC001379258431	922102225	/nfs/dbraw/zinc/10/22/25/922102225.db2.gz	PKWHJQDJPIDRGT-QWHCGFSZSA-N	1	3	312.414	-1.327	20	0		DAADHO
CC(C)NC(=O)CNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001379259638	922105789	/nfs/dbraw/zinc/10/57/89/922105789.db2.gz	PZVLWNJUSGMKCT-GFCCVEGCSA-N	1	3	312.414	-1.327	20	0		DAADHO
C[C@@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CCn2cncn2)C1	ZINC001379473863	922192419	/nfs/dbraw/zinc/19/24/19/922192419.db2.gz	COYHCVCNWJUPRL-CHWSQXEVSA-N	1	3	310.402	-1.313	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)NC[C@H](C)NC(=O)CC[NH+](C)C	ZINC001379550995	922224721	/nfs/dbraw/zinc/22/47/21/922224721.db2.gz	MQMWSLPLKQEDIQ-UWVGGRQHSA-N	1	3	301.391	-1.124	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C	ZINC001379550121	922225160	/nfs/dbraw/zinc/22/51/60/922225160.db2.gz	IKUFOUJSQNPFEQ-WDEREUQCSA-N	1	3	313.402	-1.027	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001379583890	922229687	/nfs/dbraw/zinc/22/96/87/922229687.db2.gz	WDUWJYSAIIHPRZ-WDEREUQCSA-N	1	3	313.402	-1.122	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001379583890	922229703	/nfs/dbraw/zinc/22/97/03/922229703.db2.gz	WDUWJYSAIIHPRZ-WDEREUQCSA-N	1	3	313.402	-1.122	20	0		DAADHO
CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1	ZINC001379791073	922264466	/nfs/dbraw/zinc/26/44/66/922264466.db2.gz	QJICYVIEKUQFMD-LLVKDONJSA-N	1	3	300.403	-1.374	20	0		DAADHO
CN(C[C@@H](O)CNCC(N)=O)C(=O)C12CCC[NH+](CCC1)C2	ZINC001379803114	922266483	/nfs/dbraw/zinc/26/64/83/922266483.db2.gz	NMPAADCGYLGCKF-LBPRGKRZSA-N	1	3	312.414	-1.243	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)N[C@H](CNCC(=O)NC(N)=O)C2CC2)C1	ZINC001379943407	922299424	/nfs/dbraw/zinc/29/94/24/922299424.db2.gz	YDUGYFJYHLLWGW-GHMZBOCLSA-N	1	3	311.386	-1.383	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)N[C@H](CNCC(=O)NC(N)=O)C2CC2)C1	ZINC001379943407	922299436	/nfs/dbraw/zinc/29/94/36/922299436.db2.gz	YDUGYFJYHLLWGW-GHMZBOCLSA-N	1	3	311.386	-1.383	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCN[C@@H]2CCCNC2=O)C1	ZINC001380774428	922458690	/nfs/dbraw/zinc/45/86/90/922458690.db2.gz	PKQOCYARZOYMTH-CHWSQXEVSA-N	1	3	312.414	-1.373	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)N(CCO)CCN[C@@H]2CCCNC2=O)C1	ZINC001380774428	922458700	/nfs/dbraw/zinc/45/87/00/922458700.db2.gz	PKQOCYARZOYMTH-CHWSQXEVSA-N	1	3	312.414	-1.373	20	0		DAADHO
CC(C)[C@@H](C(=O)N1CCO[C@@H](CNCC(N)=O)C1)[NH+](C)C	ZINC001380913072	922474258	/nfs/dbraw/zinc/47/42/58/922474258.db2.gz	NYYVRHYBDPQSOF-AAEUAGOBSA-N	1	3	300.403	-1.125	20	0		DAADHO
CN1CCCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1	ZINC001381042903	922494425	/nfs/dbraw/zinc/49/44/25/922494425.db2.gz	ITPSDDFARUXPIN-SWLSCSKDSA-N	1	3	312.414	-1.101	20	0		DAADHO
CNC(=O)C[NH2+]CC1(O)CCN(C(=O)CN2CCCC2)CC1	ZINC001381166948	922508128	/nfs/dbraw/zinc/50/81/28/922508128.db2.gz	IYNQCGNFEKCUBQ-UHFFFAOYSA-N	1	3	312.414	-1.229	20	0		DAADHO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)CNCC(=O)NC)CC[N@@H+]1C	ZINC001382404190	922727381	/nfs/dbraw/zinc/72/73/81/922727381.db2.gz	ZWTCQGQPHLZSMG-RWMBFGLXSA-N	1	3	314.430	-1.128	20	0		DAADHO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)CNCC(=O)NC)CC[N@H+]1C	ZINC001382404190	922727388	/nfs/dbraw/zinc/72/73/88/922727388.db2.gz	ZWTCQGQPHLZSMG-RWMBFGLXSA-N	1	3	314.430	-1.128	20	0		DAADHO
CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)C1CC[NH+](C)CC1	ZINC001382414403	922734829	/nfs/dbraw/zinc/73/48/29/922734829.db2.gz	OMURVKCIIVAEFB-OLZOCXBDSA-N	1	3	312.414	-1.374	20	0		DAADHO
CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC(N)=O)N(C)C	ZINC001382433665	922749631	/nfs/dbraw/zinc/74/96/31/922749631.db2.gz	LKBKFFOTESUWTO-VHSXEESVSA-N	1	3	317.390	-2.070	20	0		DAADHO
CCN(CC)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001382438090	922750865	/nfs/dbraw/zinc/75/08/65/922750865.db2.gz	DDCFSJNRWPFRHK-QWHCGFSZSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(CC)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001382438090	922750882	/nfs/dbraw/zinc/75/08/82/922750882.db2.gz	DDCFSJNRWPFRHK-QWHCGFSZSA-N	1	3	314.430	-1.127	20	0		DAADHO
CC[C@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O)N(C)C	ZINC001384237428	923072353	/nfs/dbraw/zinc/07/23/53/923072353.db2.gz	VGJGIYLXKCCYNL-UPJWGTAASA-N	1	3	314.430	-1.034	20	0		DAADHO
C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1O	ZINC001385119428	923146481	/nfs/dbraw/zinc/14/64/81/923146481.db2.gz	ZAMRIAHPALVLNX-QWHCGFSZSA-N	1	3	323.397	-1.018	20	0		DAADHO
CCNC(=O)NC(=O)CN[C@H](C)CNC(=O)CC[NH+](C)C	ZINC001390464981	923748119	/nfs/dbraw/zinc/74/81/19/923748119.db2.gz	FFNZWWOWTVORAS-SNVBAGLBSA-N	1	3	301.391	-1.122	20	0		DAADHO
CNC(=O)CN[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC001390567104	923758177	/nfs/dbraw/zinc/75/81/77/923758177.db2.gz	PQXVDTSRPDPICR-ZDUSSCGKSA-N	1	3	322.413	-1.005	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001391217901	923820225	/nfs/dbraw/zinc/82/02/25/923820225.db2.gz	GKPUCTVUCWDAFW-WDEREUQCSA-N	1	3	313.402	-1.170	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001391217901	923820232	/nfs/dbraw/zinc/82/02/32/923820232.db2.gz	GKPUCTVUCWDAFW-WDEREUQCSA-N	1	3	313.402	-1.170	20	0		DAADHO
C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001392100509	923935518	/nfs/dbraw/zinc/93/55/18/923935518.db2.gz	NIBSPVHQXQJNKU-MNOVXSKESA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1	ZINC001392100509	923935523	/nfs/dbraw/zinc/93/55/23/923935523.db2.gz	NIBSPVHQXQJNKU-MNOVXSKESA-N	1	3	313.402	-1.040	20	0		DAADHO
CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O	ZINC001392135289	923941638	/nfs/dbraw/zinc/94/16/38/923941638.db2.gz	SDKXNTHZQOTOFW-SNVBAGLBSA-N	1	3	301.391	-1.040	20	0		DAADHO
O=C(CNC[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2)N1CCC1	ZINC001392374416	923987072	/nfs/dbraw/zinc/98/70/72/923987072.db2.gz	KBAXTHJKPKXBLG-KBPBESRZSA-N	1	3	324.425	-1.373	20	0		DAADHO
O=C(CNC[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2)N1CCC1	ZINC001392374417	923987094	/nfs/dbraw/zinc/98/70/94/923987094.db2.gz	KBAXTHJKPKXBLG-KGLIPLIRSA-N	1	3	324.425	-1.373	20	0		DAADHO
CN(CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C1CCC1	ZINC001392376826	923989117	/nfs/dbraw/zinc/98/91/17/923989117.db2.gz	RADHILNUVROJCT-CHWSQXEVSA-N	1	3	312.414	-1.232	20	0		DAADHO
C[NH+](C)CCC(=O)NC[C@@H](O)CNCC(=O)N1CCOCC1	ZINC001392394175	924005270	/nfs/dbraw/zinc/00/52/70/924005270.db2.gz	OMBXWTQONBILAB-LBPRGKRZSA-N	1	3	316.402	-2.136	20	0		DAADHO
CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001392394284	924007250	/nfs/dbraw/zinc/00/72/50/924007250.db2.gz	PCNANZJGAIZABC-AVGNSLFASA-N	1	3	314.430	-1.081	20	0		DAADHO
CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC001392394284	924007263	/nfs/dbraw/zinc/00/72/63/924007263.db2.gz	PCNANZJGAIZABC-AVGNSLFASA-N	1	3	314.430	-1.081	20	0		DAADHO
CC(C)NC(=O)CNC[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001392427014	924026584	/nfs/dbraw/zinc/02/65/84/924026584.db2.gz	SLRLKXQNPOQSJZ-OLZOCXBDSA-N	1	3	314.430	-1.081	20	0		DAADHO
CC(C)NC(=O)CNC[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001392427014	924026593	/nfs/dbraw/zinc/02/65/93/924026593.db2.gz	SLRLKXQNPOQSJZ-OLZOCXBDSA-N	1	3	314.430	-1.081	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@H](C)NC(=O)C1CC[NH+](C)CC1	ZINC001392589381	924052935	/nfs/dbraw/zinc/05/29/35/924052935.db2.gz	BUHICVAYNPHQLP-JTQLQIEISA-N	1	3	313.402	-1.122	20	0		DAADHO
COC[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1	ZINC001393283878	924154986	/nfs/dbraw/zinc/15/49/86/924154986.db2.gz	TVVYMRJYOUBZHY-DZGCQCFKSA-N	1	3	317.430	-1.113	20	0		DAADHO
COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1	ZINC001393283878	924154996	/nfs/dbraw/zinc/15/49/96/924154996.db2.gz	TVVYMRJYOUBZHY-DZGCQCFKSA-N	1	3	317.430	-1.113	20	0		DAADHO
COC[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)C)C1	ZINC001393283881	924156915	/nfs/dbraw/zinc/15/69/15/924156915.db2.gz	TVVYMRJYOUBZHY-HIFRSBDPSA-N	1	3	317.430	-1.113	20	0		DAADHO
COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)C)C1	ZINC001393283881	924156919	/nfs/dbraw/zinc/15/69/19/924156919.db2.gz	TVVYMRJYOUBZHY-HIFRSBDPSA-N	1	3	317.430	-1.113	20	0		DAADHO
COC[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)C)C1	ZINC001393283885	924157210	/nfs/dbraw/zinc/15/72/10/924157210.db2.gz	TVVYMRJYOUBZHY-ZFWWWQNUSA-N	1	3	317.430	-1.113	20	0		DAADHO
COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)C)C1	ZINC001393283885	924157215	/nfs/dbraw/zinc/15/72/15/924157215.db2.gz	TVVYMRJYOUBZHY-ZFWWWQNUSA-N	1	3	317.430	-1.113	20	0		DAADHO
CNC(=O)[C@@H](C)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001393453521	924206975	/nfs/dbraw/zinc/20/69/75/924206975.db2.gz	HGSSFLBZSLUQFW-JHJVBQTASA-N	1	3	314.430	-1.128	20	0		DAADHO
CNC(=O)[C@@H](C)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001393453521	924206986	/nfs/dbraw/zinc/20/69/86/924206986.db2.gz	HGSSFLBZSLUQFW-JHJVBQTASA-N	1	3	314.430	-1.128	20	0		DAADHO
COC[C@H](O)CN1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1	ZINC001393457127	924209499	/nfs/dbraw/zinc/20/94/99/924209499.db2.gz	VJQOLCROEYIUGJ-UKRRQHHQSA-N	1	3	317.430	-1.112	20	0		DAADHO
CN1CC[C@H](NCCN(CCO)C(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001393466630	924215338	/nfs/dbraw/zinc/21/53/38/924215338.db2.gz	DCHUKKWAERWVAI-ZDUSSCGKSA-N	1	3	324.425	-1.277	20	0		DAADHO
NC(=O)CNC[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1	ZINC001393575469	924226773	/nfs/dbraw/zinc/22/67/73/924226773.db2.gz	DCQDRIKINCFHPA-STQMWFEESA-N	1	3	310.398	-1.370	20	0		DAADHO
CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)N(C)C	ZINC001394533797	924307138	/nfs/dbraw/zinc/30/71/38/924307138.db2.gz	BEFGFPHBMZGRDC-VHSXEESVSA-N	1	3	301.391	-1.042	20	0		DAADHO
C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1)C(N)=O	ZINC001394745524	924373303	/nfs/dbraw/zinc/37/33/03/924373303.db2.gz	WWLIPIZKGJESHU-GHMZBOCLSA-N	1	3	300.403	-1.247	20	0		DAADHO
C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1)C(N)=O	ZINC001394745532	924374355	/nfs/dbraw/zinc/37/43/55/924374355.db2.gz	WWLIPIZKGJESHU-WDEREUQCSA-N	1	3	300.403	-1.247	20	0		DAADHO
CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCC1)N(C)C	ZINC001394749158	924375698	/nfs/dbraw/zinc/37/56/98/924375698.db2.gz	BOAOTABOFJAYPM-STQMWFEESA-N	1	3	314.430	-1.032	20	0		DAADHO
CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C	ZINC001394755418	924377719	/nfs/dbraw/zinc/37/77/19/924377719.db2.gz	CTFAYAFWXSIXKU-AAEUAGOBSA-N	1	3	302.419	-1.273	20	0		DAADHO
CNC(=O)CNC[C@@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1	ZINC001394760192	924380184	/nfs/dbraw/zinc/38/01/84/924380184.db2.gz	TWGGCYQUEPSVMC-CYBMUJFWSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(CC)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001395737753	924456789	/nfs/dbraw/zinc/45/67/89/924456789.db2.gz	QBJYYRWYLAIWQM-OLZOCXBDSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(CC)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001395737753	924456801	/nfs/dbraw/zinc/45/68/01/924456801.db2.gz	QBJYYRWYLAIWQM-OLZOCXBDSA-N	1	3	314.430	-1.127	20	0		DAADHO
Cc1[nH]cnc1CC(=O)NC[C@H](CO)NC(=O)CC[NH+](C)C	ZINC001395780247	924473577	/nfs/dbraw/zinc/47/35/77/924473577.db2.gz	UNOSRSYTUDYLLM-LLVKDONJSA-N	1	3	311.386	-1.194	20	0		DAADHO
CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O	ZINC001396428594	924523621	/nfs/dbraw/zinc/52/36/21/924523621.db2.gz	CFIYRSJQKRGRTK-OLZOCXBDSA-N	1	3	314.430	-1.034	20	0		DAADHO
CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)C1)N(C)C	ZINC001398526572	924645964	/nfs/dbraw/zinc/64/59/64/924645964.db2.gz	ALTCAOPAGFISPE-QWRGUYRKSA-N	1	3	313.402	-1.027	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001401262480	924853613	/nfs/dbraw/zinc/85/36/13/924853613.db2.gz	SJBJMMVDNUOCSM-WDEREUQCSA-N	1	3	313.402	-1.170	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001401262480	924853620	/nfs/dbraw/zinc/85/36/20/924853620.db2.gz	SJBJMMVDNUOCSM-WDEREUQCSA-N	1	3	313.402	-1.170	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001401262477	924853797	/nfs/dbraw/zinc/85/37/97/924853797.db2.gz	SJBJMMVDNUOCSM-GHMZBOCLSA-N	1	3	313.402	-1.170	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001401262477	924853804	/nfs/dbraw/zinc/85/38/04/924853804.db2.gz	SJBJMMVDNUOCSM-GHMZBOCLSA-N	1	3	313.402	-1.170	20	0		DAADHO
O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)C12CCC[NH+]1CCC2	ZINC001401548126	924883795	/nfs/dbraw/zinc/88/37/95/924883795.db2.gz	ANFMJZIBYJQUIC-NWDGAFQWSA-N	1	3	310.398	-1.430	20	0		DAADHO
CCNC(=O)CNC[C@H](O)CNC(=O)CC1CC[NH+](C)CC1	ZINC001401552653	924886975	/nfs/dbraw/zinc/88/69/75/924886975.db2.gz	CMWPJHBZYVSPNM-ZDUSSCGKSA-N	1	3	314.430	-1.079	20	0		DAADHO
C[NH+](C)CC1(C(=O)NC[C@H](O)CN[C@@H]2CCCNC2=O)CC1	ZINC001401559604	924891103	/nfs/dbraw/zinc/89/11/03/924891103.db2.gz	DBKIPZRQSQGDOT-VXGBXAGGSA-N	1	3	312.414	-1.327	20	0		DAADHO
CC(C)[C@H](C(=O)NC[C@H](O)CNCC(=O)N(C)C)[NH+](C)C	ZINC001401563489	924892114	/nfs/dbraw/zinc/89/21/14/924892114.db2.gz	IIZNOMZOSXNCDI-DGCLKSJQSA-N	1	3	302.419	-1.273	20	0		DAADHO
CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@@H](O)CNCC(N)=O)C1	ZINC001401563088	924893378	/nfs/dbraw/zinc/89/33/78/924893378.db2.gz	VMHHJXMEZIUNOL-HZMBPMFUSA-N	1	3	318.393	-1.249	20	0		DAADHO
CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@@H](O)CNCC(N)=O)C1	ZINC001401563088	924893385	/nfs/dbraw/zinc/89/33/85/924893385.db2.gz	VMHHJXMEZIUNOL-HZMBPMFUSA-N	1	3	318.393	-1.249	20	0		DAADHO
CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)CN1CC[C@H](C)C1	ZINC001401562060	924893479	/nfs/dbraw/zinc/89/34/79/924893479.db2.gz	TZWZQGIFXUHRIG-QWHCGFSZSA-N	1	3	314.430	-1.081	20	0		DAADHO
CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)C12CCC[NH+]1CCC2	ZINC001401575200	924899025	/nfs/dbraw/zinc/89/90/25/924899025.db2.gz	WVGXKLCSISMBTE-NEPJUHHUSA-N	1	3	312.414	-1.184	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O	ZINC001401591941	924904170	/nfs/dbraw/zinc/90/41/70/924904170.db2.gz	VXMVXSLCHYUBHU-RYUDHWBXSA-N	1	3	300.403	-1.328	20	0		DAADHO
NC(=O)NC(=O)CNC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1	ZINC001401857335	924924275	/nfs/dbraw/zinc/92/42/75/924924275.db2.gz	AZWCCBFFRQZQKV-LLVKDONJSA-N	1	3	323.397	-1.239	20	0		DAADHO
CNC(=O)[C@H](C)N1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1	ZINC001402292859	924965861	/nfs/dbraw/zinc/96/58/61/924965861.db2.gz	ODBGZSAWBXFCCQ-SWLSCSKDSA-N	1	3	312.414	-1.230	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H](CNC(=O)CC[NH+](C)C)C1CC1	ZINC001402332868	924977921	/nfs/dbraw/zinc/97/79/21/924977921.db2.gz	COUYPYRXWYQPPG-NSHDSACASA-N	1	3	313.402	-1.122	20	0		DAADHO
C[NH+](C)CCC(=O)N1CCO[C@@H](CNCC(=O)N2CCC2)C1	ZINC001402590075	925013647	/nfs/dbraw/zinc/01/36/47/925013647.db2.gz	DEHOOHAMCFASJJ-ZDUSSCGKSA-N	1	3	312.414	-1.013	20	0		DAADHO
C[NH+](C)CCC(=O)N1CCO[C@H](CNCC(=O)N2CCC2)C1	ZINC001402590071	925013667	/nfs/dbraw/zinc/01/36/67/925013667.db2.gz	DEHOOHAMCFASJJ-CYBMUJFWSA-N	1	3	312.414	-1.013	20	0		DAADHO
C[C@H]([NH2+]CC1(O)CCN(C(=O)[C@H]2CCCN2C)CC1)C(N)=O	ZINC001402791221	925028733	/nfs/dbraw/zinc/02/87/33/925028733.db2.gz	ATLSLJVHJBKILI-NWDGAFQWSA-N	1	3	312.414	-1.103	20	0		DAADHO
C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)NC(N)=O	ZINC001402769396	925030097	/nfs/dbraw/zinc/03/00/97/925030097.db2.gz	BZJNLWLTBRBWHY-WDEREUQCSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@H](NCC1(O)CCN(C(=O)CC[NH+](C)C)CC1)C(N)=O	ZINC001402787978	925030140	/nfs/dbraw/zinc/03/01/40/925030140.db2.gz	DPOWRUXSRHOZIG-NSHDSACASA-N	1	3	300.403	-1.245	20	0		DAADHO
CN(CC(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1)C1CCC1	ZINC001402808131	925031735	/nfs/dbraw/zinc/03/17/35/925031735.db2.gz	ODCLZQGSLANLDH-UHFFFAOYSA-N	1	3	312.414	-1.101	20	0		DAADHO
CN(C)C1(C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CCC1	ZINC001403181523	925059061	/nfs/dbraw/zinc/05/90/61/925059061.db2.gz	QDUFYNCERODPPV-JTQLQIEISA-N	1	3	311.386	-1.144	20	0		DAADHO
CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2	ZINC001403875103	925159626	/nfs/dbraw/zinc/15/96/26/925159626.db2.gz	FFMOORGYOVQJHY-VXGBXAGGSA-N	1	3	312.414	-1.374	20	0		DAADHO
CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C	ZINC001403883843	925162203	/nfs/dbraw/zinc/16/22/03/925162203.db2.gz	PLVBSZBLEAACLS-LBPRGKRZSA-N	1	3	302.419	-1.176	20	0		DAADHO
CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001403886553	925165014	/nfs/dbraw/zinc/16/50/14/925165014.db2.gz	UOWAQIXQAPLGFW-NWDGAFQWSA-N	1	3	310.398	-1.620	20	0		DAADHO
CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)CCC1	ZINC001406241924	925371834	/nfs/dbraw/zinc/37/18/34/925371834.db2.gz	OGJOYEBTAHAKLR-LBPRGKRZSA-N	1	3	312.414	-1.230	20	0		DAADHO
CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNCC(=O)NC	ZINC001406252559	925376282	/nfs/dbraw/zinc/37/62/82/925376282.db2.gz	XUCRRZPMUVPQFB-VXGBXAGGSA-N	1	3	300.403	-1.327	20	0		DAADHO
CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNCC(=O)NC	ZINC001406252559	925376289	/nfs/dbraw/zinc/37/62/89/925376289.db2.gz	XUCRRZPMUVPQFB-VXGBXAGGSA-N	1	3	300.403	-1.327	20	0		DAADHO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNCC(N)=O	ZINC001406254112	925379888	/nfs/dbraw/zinc/37/98/88/925379888.db2.gz	MTPBUGGENQRIQU-VXGBXAGGSA-N	1	3	300.403	-1.341	20	0		DAADHO
CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNCC(N)=O	ZINC001406254112	925379898	/nfs/dbraw/zinc/37/98/98/925379898.db2.gz	MTPBUGGENQRIQU-VXGBXAGGSA-N	1	3	300.403	-1.341	20	0		DAADHO
CC[C@H](NC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1)C(N)=O	ZINC001406258694	925381419	/nfs/dbraw/zinc/38/14/19/925381419.db2.gz	NHWSZAZXEMBBFT-NEPJUHHUSA-N	1	3	300.403	-1.341	20	0		DAADHO
CCNC(=O)CNC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1	ZINC001406262812	925383049	/nfs/dbraw/zinc/38/30/49/925383049.db2.gz	XOOHTIWRGUZDBW-GFCCVEGCSA-N	1	3	300.403	-1.469	20	0		DAADHO
CC(C)N(C)C(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001406284177	925395582	/nfs/dbraw/zinc/39/55/82/925395582.db2.gz	JXZQMMNUQONPGP-STQMWFEESA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)N(C)C(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001406284177	925395592	/nfs/dbraw/zinc/39/55/92/925395592.db2.gz	JXZQMMNUQONPGP-STQMWFEESA-N	1	3	314.430	-1.128	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@H](C)C1	ZINC001406399563	925413565	/nfs/dbraw/zinc/41/35/65/925413565.db2.gz	LPJMQHACXILUGQ-WDEREUQCSA-N	1	3	313.402	-1.122	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CC[NH+](C)C	ZINC001406406065	925413574	/nfs/dbraw/zinc/41/35/74/925413574.db2.gz	MQMWSLPLKQEDIQ-NXEZZACHSA-N	1	3	301.391	-1.124	20	0		DAADHO
NC(=O)CNC[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1	ZINC001407850681	925530242	/nfs/dbraw/zinc/53/02/42/925530242.db2.gz	DVLMMSYBSXPBOA-LBPRGKRZSA-N	1	3	310.398	-1.083	20	0		DAADHO
C[NH+](C)CCC(=O)NC[C@H](CO)NC[C@H]1CCS(=O)(=O)C1	ZINC001410735367	925772212	/nfs/dbraw/zinc/77/22/12/925772212.db2.gz	SKBWXXBCKYRMOF-VXGBXAGGSA-N	1	3	321.443	-1.561	20	0		DAADHO
C[C@@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CN1CCCC1	ZINC001410840099	925789245	/nfs/dbraw/zinc/78/92/45/925789245.db2.gz	CLEKOINONCXFEZ-GHMZBOCLSA-N	1	3	311.386	-1.144	20	0		DAADHO
CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)CN(C)C1CCC1	ZINC001411044810	925804143	/nfs/dbraw/zinc/80/41/43/925804143.db2.gz	PSOSSPLLFVPSQK-STQMWFEESA-N	1	3	312.414	-1.232	20	0		DAADHO
CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)CN(C)C1CCC1	ZINC001411044807	925804269	/nfs/dbraw/zinc/80/42/69/925804269.db2.gz	PSOSSPLLFVPSQK-QWHCGFSZSA-N	1	3	312.414	-1.232	20	0		DAADHO
Cc1nc(CNC[C@H](O)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)n[nH]1	ZINC001411129613	925815520	/nfs/dbraw/zinc/81/55/20/925815520.db2.gz	RTXBJBXYILOQRR-RYUDHWBXSA-N	1	3	310.402	-1.026	20	0		DAADHO
Cc1nc(CNC[C@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1	ZINC001411129613	925815527	/nfs/dbraw/zinc/81/55/27/925815527.db2.gz	RTXBJBXYILOQRR-RYUDHWBXSA-N	1	3	310.402	-1.026	20	0		DAADHO
CCN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001411147934	925819832	/nfs/dbraw/zinc/81/98/32/925819832.db2.gz	ULIMSZBQJLEIMS-CHWSQXEVSA-N	1	3	314.430	-1.175	20	0		DAADHO
CCN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001411147934	925819838	/nfs/dbraw/zinc/81/98/38/925819838.db2.gz	ULIMSZBQJLEIMS-CHWSQXEVSA-N	1	3	314.430	-1.175	20	0		DAADHO
C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1O	ZINC001413975915	926092526	/nfs/dbraw/zinc/09/25/26/926092526.db2.gz	KSJJXMARNPXJKL-CHWSQXEVSA-N	1	3	323.397	-1.018	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)C1	ZINC001418330984	926383256	/nfs/dbraw/zinc/38/32/56/926383256.db2.gz	BDQKVZHOWNRHNT-NSHDSACASA-N	1	3	313.402	-1.026	20	0		DAADHO
CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NC(N)=O	ZINC001419263900	926470209	/nfs/dbraw/zinc/47/02/09/926470209.db2.gz	PMSOBVZIAHUSIF-JTQLQIEISA-N	1	3	311.386	-1.239	20	0		DAADHO
CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)CN(C)C1CCC1	ZINC001420138629	926540323	/nfs/dbraw/zinc/54/03/23/926540323.db2.gz	LWORUSBRGTUGPT-JQWIXIFHSA-N	1	3	300.403	-1.328	20	0		DAADHO
O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)C12CCC[NH+](CCC1)C2	ZINC001420139811	926540663	/nfs/dbraw/zinc/54/06/63/926540663.db2.gz	BZTJJNFPNYZMGP-CHWSQXEVSA-N	1	3	324.425	-1.182	20	0		DAADHO
CN(C)C(=O)CNC[C@H](O)CNC(=O)C12CCC[NH+]1CCC2	ZINC001420163378	926549639	/nfs/dbraw/zinc/54/96/39/926549639.db2.gz	WECFQSNFHCWJGP-LBPRGKRZSA-N	1	3	312.414	-1.230	20	0		DAADHO
C[C@H]1CCN(CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)C1	ZINC001420177854	926553804	/nfs/dbraw/zinc/55/38/04/926553804.db2.gz	YEBLLTGCQQTNJA-WCQYABFASA-N	1	3	312.414	-1.327	20	0		DAADHO
C[C@@H]1CCN(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)C1	ZINC001420177855	926554313	/nfs/dbraw/zinc/55/43/13/926554313.db2.gz	YEBLLTGCQQTNJA-YPMHNXCESA-N	1	3	312.414	-1.327	20	0		DAADHO
C[C@H]1CCN(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)C1	ZINC001420177852	926554584	/nfs/dbraw/zinc/55/45/84/926554584.db2.gz	YEBLLTGCQQTNJA-AAEUAGOBSA-N	1	3	312.414	-1.327	20	0		DAADHO
CC(C)NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001420192860	926557759	/nfs/dbraw/zinc/55/77/59/926557759.db2.gz	RSRWDHBMAIMYEO-VXGBXAGGSA-N	1	3	300.403	-1.471	20	0		DAADHO
CC(C)NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001420192860	926557766	/nfs/dbraw/zinc/55/77/66/926557766.db2.gz	RSRWDHBMAIMYEO-VXGBXAGGSA-N	1	3	300.403	-1.471	20	0		DAADHO
C[C@@H](NC[C@@H](O)CNC(=O)CC[NH+]1CCCCC1)C(N)=O	ZINC001420211339	926565260	/nfs/dbraw/zinc/56/52/60/926565260.db2.gz	JTGCKWHMCHCUMN-VXGBXAGGSA-N	1	3	300.403	-1.197	20	0		DAADHO
C[C@@H](NC[C@H](O)CNC(=O)CC[NH+]1CCCCC1)C(N)=O	ZINC001420211332	926565363	/nfs/dbraw/zinc/56/53/63/926565363.db2.gz	JTGCKWHMCHCUMN-NEPJUHHUSA-N	1	3	300.403	-1.197	20	0		DAADHO
C[NH+]1CCC(OCC(=O)NC[C@@]2(O)CCN(CCO)C2)CC1	ZINC001421377796	926679198	/nfs/dbraw/zinc/67/91/98/926679198.db2.gz	AVUIAVYXCUXIHV-HNNXBMFYSA-N	1	3	315.414	-1.358	20	0		DAADHO
O=C([C@@H]1C[NH+]2CCC1CC2)N(CCO)CCN[C@H]1CCNC1=O	ZINC001421639061	926738761	/nfs/dbraw/zinc/73/87/61/926738761.db2.gz	VNRGLNDCTMSHGV-KGLIPLIRSA-N	1	3	324.425	-1.373	20	0		DAADHO
CC[N@H+](C)CCC(=O)N1CCO[C@H](CNCC(=O)NC)C1	ZINC001421813950	926763934	/nfs/dbraw/zinc/76/39/34/926763934.db2.gz	DFJCMCVBXHNHFI-GFCCVEGCSA-N	1	3	300.403	-1.109	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N1CCO[C@H](CNCC(=O)NC)C1	ZINC001421813950	926763944	/nfs/dbraw/zinc/76/39/44/926763944.db2.gz	DFJCMCVBXHNHFI-GFCCVEGCSA-N	1	3	300.403	-1.109	20	0		DAADHO
C[C@H](CNCC(N)=O)N(C)C(=O)c1cnn(CC[NH+](C)C)c1	ZINC001421949872	926775657	/nfs/dbraw/zinc/77/56/57/926775657.db2.gz	UGFZJQXPJJPLRN-LLVKDONJSA-N	1	3	310.402	-1.020	20	0		DAADHO
C[C@@H](CNCC(N)=O)N(C)C(=O)c1cnn(CC[NH+](C)C)c1	ZINC001421949873	926775802	/nfs/dbraw/zinc/77/58/02/926775802.db2.gz	UGFZJQXPJJPLRN-NSHDSACASA-N	1	3	310.402	-1.020	20	0		DAADHO
C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)CCC[NH+](C)C	ZINC001421948345	926776043	/nfs/dbraw/zinc/77/60/43/926776043.db2.gz	RTHFPTMRIGOVKM-SNVBAGLBSA-N	1	3	301.391	-1.040	20	0		DAADHO
CN(CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O)CC(C)(C)C	ZINC001422362419	926851860	/nfs/dbraw/zinc/85/18/60/926851860.db2.gz	PEHQRMKCFPXRSZ-VXGBXAGGSA-N	1	3	314.430	-1.081	20	0		DAADHO
CC(C)[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)[NH+]1CCCC1	ZINC001422429901	926872745	/nfs/dbraw/zinc/87/27/45/926872745.db2.gz	UKHDFBMCHAMGMR-AAEUAGOBSA-N	1	3	300.403	-1.341	20	0		DAADHO
CC(C)[C@H](C(=O)NC[C@H](O)CNCC(N)=O)[NH+]1CCCC1	ZINC001422429905	926873314	/nfs/dbraw/zinc/87/33/14/926873314.db2.gz	UKHDFBMCHAMGMR-DGCLKSJQSA-N	1	3	300.403	-1.341	20	0		DAADHO
CC(C)[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)[NH+]1CCCC1	ZINC001422429912	926873642	/nfs/dbraw/zinc/87/36/42/926873642.db2.gz	UKHDFBMCHAMGMR-YPMHNXCESA-N	1	3	300.403	-1.341	20	0		DAADHO
CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)C12CCC[NH+]1CCC2	ZINC001423455748	927058194	/nfs/dbraw/zinc/05/81/94/927058194.db2.gz	CMBRKJGBIBHEBT-OLZOCXBDSA-N	1	3	324.425	-1.088	20	0		DAADHO
CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)C12CCC[NH+]1CCC2	ZINC001423455797	927059357	/nfs/dbraw/zinc/05/93/57/927059357.db2.gz	CMBRKJGBIBHEBT-STQMWFEESA-N	1	3	324.425	-1.088	20	0		DAADHO
CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1	ZINC001423451630	927059657	/nfs/dbraw/zinc/05/96/57/927059657.db2.gz	IMGOLFQJKUTZIY-RYUDHWBXSA-N	1	3	314.430	-1.128	20	0		DAADHO
CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1	ZINC001423451625	927059748	/nfs/dbraw/zinc/05/97/48/927059748.db2.gz	IMGOLFQJKUTZIY-NEPJUHHUSA-N	1	3	314.430	-1.128	20	0		DAADHO
CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1	ZINC001423454916	927059776	/nfs/dbraw/zinc/05/97/76/927059776.db2.gz	NNPLFZCEVKZMIF-GFCCVEGCSA-N	1	3	314.430	-1.175	20	0		DAADHO
CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CN(C)C1CCC1	ZINC001423461383	927061414	/nfs/dbraw/zinc/06/14/14/927061414.db2.gz	KOWVODMLXIBMAV-ZDUSSCGKSA-N	1	3	314.430	-1.032	20	0		DAADHO
CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CN(C)C1CCC1	ZINC001423461376	927063548	/nfs/dbraw/zinc/06/35/48/927063548.db2.gz	KOWVODMLXIBMAV-CYBMUJFWSA-N	1	3	314.430	-1.032	20	0		DAADHO
CN(C)C1(C(=O)N(C)C[C@H](O)C[NH2+][C@H]2CCNC2=O)CCC1	ZINC001423471425	927067845	/nfs/dbraw/zinc/06/78/45/927067845.db2.gz	VDBOXFXPIWQEGE-NEPJUHHUSA-N	1	3	312.414	-1.232	20	0		DAADHO
CC(C)[C@@H](C(=O)N(CCO)CCN[C@H]1CCNC1=O)[NH+](C)C	ZINC001424050873	927188697	/nfs/dbraw/zinc/18/86/97/927188697.db2.gz	QOEDIIIBCMLUFE-STQMWFEESA-N	1	3	314.430	-1.128	20	0		DAADHO
CC[C@H](NCCN(CCO)C(=O)C12CC[NH+](CC1)C2)C(N)=O	ZINC001424056122	927191337	/nfs/dbraw/zinc/19/13/37/927191337.db2.gz	WSJIYBVZTKLUCZ-LBPRGKRZSA-N	1	3	312.414	-1.243	20	0		DAADHO
Cc1[nH]cnc1CC(=O)N[C@H](CO)CNC(=O)CC[NH+](C)C	ZINC001425494029	927378962	/nfs/dbraw/zinc/37/89/62/927378962.db2.gz	MBRYFCLDXCSVFY-NSHDSACASA-N	1	3	311.386	-1.194	20	0		DAADHO
C[C@H](CN1CCOCC1)C(=O)NC[C@@H](CO)[NH2+]CC(N)=O	ZINC001425854418	927479128	/nfs/dbraw/zinc/47/91/28/927479128.db2.gz	NTNASFFOMZDIBE-MNOVXSKESA-N	1	3	302.375	-2.493	20	0		DAADHO
CC[N@H+](C)CCC(=O)N(C)C[C@@H](O)CN[C@H]1CCN(C)C1=O	ZINC001426026790	927509745	/nfs/dbraw/zinc/50/97/45/927509745.db2.gz	BYBOXGNZTVGOBV-STQMWFEESA-N	1	3	314.430	-1.032	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N(C)C[C@@H](O)CN[C@H]1CCN(C)C1=O	ZINC001426026790	927509751	/nfs/dbraw/zinc/50/97/51/927509751.db2.gz	BYBOXGNZTVGOBV-STQMWFEESA-N	1	3	314.430	-1.032	20	0		DAADHO
CN(C[C@H](O)CNCC(=O)N1CCCC1)C(=O)CC[NH+](C)C	ZINC001426031613	927511817	/nfs/dbraw/zinc/51/18/17/927511817.db2.gz	SNEZPWODAQJVSW-CYBMUJFWSA-N	1	3	314.430	-1.031	20	0		DAADHO
CN(C[C@@H](O)CN[C@H]1CCCNC1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001426032666	927512141	/nfs/dbraw/zinc/51/21/41/927512141.db2.gz	RWHRYQSWWJLYDY-STQMWFEESA-N	1	3	324.425	-1.230	20	0		DAADHO
CN(C[C@@H](O)CN[C@@H]1CCCNC1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001426032665	927512377	/nfs/dbraw/zinc/51/23/77/927512377.db2.gz	RWHRYQSWWJLYDY-QWHCGFSZSA-N	1	3	324.425	-1.230	20	0		DAADHO
Cc1[nH]cnc1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001427910612	927704130	/nfs/dbraw/zinc/70/41/30/927704130.db2.gz	PTKRUXLCBGXKPU-RYUDHWBXSA-N	1	3	323.397	-1.194	20	0		DAADHO
Cc1[nH]cnc1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1	ZINC001427910612	927704138	/nfs/dbraw/zinc/70/41/38/927704138.db2.gz	PTKRUXLCBGXKPU-RYUDHWBXSA-N	1	3	323.397	-1.194	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001431536994	928055092	/nfs/dbraw/zinc/05/50/92/928055092.db2.gz	DHLKVKVFVVUCFR-QWHCGFSZSA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001431536994	928055105	/nfs/dbraw/zinc/05/51/05/928055105.db2.gz	DHLKVKVFVVUCFR-QWHCGFSZSA-N	1	3	314.430	-1.128	20	0		DAADHO
C[NH+](C)CCN1C[C@@H](C(=O)N2CC(N[C@@H]3CCOC3)C2)CC1=O	ZINC001434384452	928344761	/nfs/dbraw/zinc/34/47/61/928344761.db2.gz	COBANMUCSRNKBZ-QWHCGFSZSA-N	1	3	324.425	-1.014	20	0		DAADHO
C[NH+](C)CCN1C[C@H](C(=O)N2CC(N[C@@H]3CCOC3)C2)CC1=O	ZINC001434384450	928344968	/nfs/dbraw/zinc/34/49/68/928344968.db2.gz	COBANMUCSRNKBZ-CHWSQXEVSA-N	1	3	324.425	-1.014	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1	ZINC001436883663	928416484	/nfs/dbraw/zinc/41/64/84/928416484.db2.gz	PMTKAKGAHFIHRE-NSHDSACASA-N	1	3	313.402	-1.027	20	0		DAADHO
C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCN(CC(N)=O)C1	ZINC001437745773	928475304	/nfs/dbraw/zinc/47/53/04/928475304.db2.gz	UXSSEPAIIFQAPC-OLZOCXBDSA-N	1	3	312.414	-1.122	20	0		DAADHO
CCN1CC[C@@H](NC[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001439042985	928587394	/nfs/dbraw/zinc/58/73/94/928587394.db2.gz	CNUCGCOGSJZKKI-CHWSQXEVSA-N	1	3	324.425	-1.230	20	0		DAADHO
CN1CC[C@H](NC[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001439046985	928590656	/nfs/dbraw/zinc/59/06/56/928590656.db2.gz	LJLRRIVBGNAMRY-NEPJUHHUSA-N	1	3	310.398	-1.620	20	0		DAADHO
CN1CC[C@@H](NC[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001439046988	928592308	/nfs/dbraw/zinc/59/23/08/928592308.db2.gz	LJLRRIVBGNAMRY-NWDGAFQWSA-N	1	3	310.398	-1.620	20	0		DAADHO
CCCN(C)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O	ZINC001439044291	928592346	/nfs/dbraw/zinc/59/23/46/928592346.db2.gz	MFFRSGOQQQPDQG-NWDGAFQWSA-N	1	3	300.403	-1.374	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCC(=O)NCC2CC2)C1	ZINC001439050577	928595015	/nfs/dbraw/zinc/59/50/15/928595015.db2.gz	ZSSCNEXVMFMJCD-CHWSQXEVSA-N	1	3	312.414	-1.469	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCC(=O)NCC2CC2)C1	ZINC001439050577	928595020	/nfs/dbraw/zinc/59/50/20/928595020.db2.gz	ZSSCNEXVMFMJCD-CHWSQXEVSA-N	1	3	312.414	-1.469	20	0		DAADHO
C[C@H]([NH2+]CCN(CCO)C(=O)CN1CC[C@H](C)C1)C(N)=O	ZINC001440204017	928704189	/nfs/dbraw/zinc/70/41/89/928704189.db2.gz	GISGYQIOGLUAFB-RYUDHWBXSA-N	1	3	300.403	-1.388	20	0		DAADHO
C[C@H]([NH2+]CCN(CCO)C(=O)CN1CC[C@@H](C)C1)C(N)=O	ZINC001440204008	928705127	/nfs/dbraw/zinc/70/51/27/928705127.db2.gz	GISGYQIOGLUAFB-NEPJUHHUSA-N	1	3	300.403	-1.388	20	0		DAADHO
CCNC(=O)CNC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001440367027	928717614	/nfs/dbraw/zinc/71/76/14/928717614.db2.gz	BYRDZICFCYDMQJ-GFCCVEGCSA-N	1	3	300.403	-1.109	20	0		DAADHO
C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1	ZINC001441417961	928787254	/nfs/dbraw/zinc/78/72/54/928787254.db2.gz	RGIFUZZPYWKQPK-GMTAPVOTSA-N	1	3	311.386	-1.240	20	0		DAADHO
C[C@H](CN(C)C(=O)c1ccn(CC[NH+](C)C)n1)NCC(N)=O	ZINC001441508185	928795606	/nfs/dbraw/zinc/79/56/06/928795606.db2.gz	GFZCKVZGLRLVEV-LLVKDONJSA-N	1	3	310.402	-1.020	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCCN2CCCC2=O)C1	ZINC001441795137	928867376	/nfs/dbraw/zinc/86/73/76/928867376.db2.gz	OBOGEWYVDFBLDN-CHWSQXEVSA-N	1	3	312.414	-1.373	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCCN2CCCC2=O)C1	ZINC001441795137	928867389	/nfs/dbraw/zinc/86/73/89/928867389.db2.gz	OBOGEWYVDFBLDN-CHWSQXEVSA-N	1	3	312.414	-1.373	20	0		DAADHO
CN(C[C@H](O)CNCC(=O)NC1CC1)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001442025883	928907330	/nfs/dbraw/zinc/90/73/30/928907330.db2.gz	AZCTYZOVAULXQW-DGCLKSJQSA-N	1	3	312.414	-1.374	20	0		DAADHO
CN(C[C@H](O)CNCC(=O)NC1CC1)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001442025883	928907336	/nfs/dbraw/zinc/90/73/36/928907336.db2.gz	AZCTYZOVAULXQW-DGCLKSJQSA-N	1	3	312.414	-1.374	20	0		DAADHO
CN(C[C@H](O)CNCC(=O)NC(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001442026899	928911065	/nfs/dbraw/zinc/91/10/65/928911065.db2.gz	DJXGRGJHMVGCMS-NXEZZACHSA-N	1	3	315.374	-2.458	20	0		DAADHO
CN(C[C@H](O)CNCC(=O)NC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001442026899	928911077	/nfs/dbraw/zinc/91/10/77/928911077.db2.gz	DJXGRGJHMVGCMS-NXEZZACHSA-N	1	3	315.374	-2.458	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1	ZINC001442142267	928932850	/nfs/dbraw/zinc/93/28/50/928932850.db2.gz	DTIFTBIXIRYITF-SNVBAGLBSA-N	1	3	322.369	-1.154	20	0		DAADHO
CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C1(N(C)C)CCC1	ZINC001445188739	929181156	/nfs/dbraw/zinc/18/11/56/929181156.db2.gz	KQLXUQBHVHMKHJ-NSHDSACASA-N	1	3	300.403	-1.374	20	0		DAADHO
CNC(=O)CNC[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2	ZINC001445201559	929184190	/nfs/dbraw/zinc/18/41/90/929184190.db2.gz	GUFQBHGYGFTEAO-GFCCVEGCSA-N	1	3	312.414	-1.325	20	0		DAADHO
O=C(CNC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)NC1CC1	ZINC001445266936	929207630	/nfs/dbraw/zinc/20/76/30/929207630.db2.gz	XQTQMYIGFANHIL-LBPRGKRZSA-N	1	3	310.398	-1.573	20	0		DAADHO
CCN(C)C(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001445278024	929212517	/nfs/dbraw/zinc/21/25/17/929212517.db2.gz	WZQIIKYRVKHIKW-RYUDHWBXSA-N	1	3	300.403	-1.517	20	0		DAADHO
CCN(C)C(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001445278024	929212525	/nfs/dbraw/zinc/21/25/25/929212525.db2.gz	WZQIIKYRVKHIKW-RYUDHWBXSA-N	1	3	300.403	-1.517	20	0		DAADHO
C[NH+](C)CCC(=O)N(CCO)CCN[C@@H]1CCCNC1=O	ZINC001447060359	929367952	/nfs/dbraw/zinc/36/79/52/929367952.db2.gz	HDYMQRYFVYKWIP-GFCCVEGCSA-N	1	3	300.403	-1.373	20	0		DAADHO
O=C(N(CCO)CCN[C@H]1CCNC1=O)C12CCC[NH+]1CCC2	ZINC001447060881	929368470	/nfs/dbraw/zinc/36/84/70/929368470.db2.gz	IPEVPXVRNASCBQ-ZDUSSCGKSA-N	1	3	324.425	-1.086	20	0		DAADHO
CN1CC[C@@H](NC[C@H]2CN(C(=O)CC[NH+](C)C)CCO2)C1=O	ZINC001447284349	929380672	/nfs/dbraw/zinc/38/06/72/929380672.db2.gz	BUHUYQMXFMTYQW-QWHCGFSZSA-N	1	3	312.414	-1.014	20	0		DAADHO
CNC(=O)CNC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1	ZINC001447292482	929381811	/nfs/dbraw/zinc/38/18/11/929381811.db2.gz	TWAAWOBUCIPXBS-ZDUSSCGKSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)NCC(=O)NC(N)=O	ZINC001448727322	929466931	/nfs/dbraw/zinc/46/69/31/929466931.db2.gz	OIYZAQYTDKFHBR-MNOVXSKESA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NCC(=O)NC(N)=O	ZINC001448727322	929466938	/nfs/dbraw/zinc/46/69/38/929466938.db2.gz	OIYZAQYTDKFHBR-MNOVXSKESA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)NCC(=O)NC(N)=O	ZINC001448727323	929467661	/nfs/dbraw/zinc/46/76/61/929467661.db2.gz	OIYZAQYTDKFHBR-QWRGUYRKSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)NCC(=O)NC(N)=O	ZINC001448727323	929467668	/nfs/dbraw/zinc/46/76/68/929467668.db2.gz	OIYZAQYTDKFHBR-QWRGUYRKSA-N	1	3	313.402	-1.040	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001448792713	929471706	/nfs/dbraw/zinc/47/17/06/929471706.db2.gz	VRNWIIOBBPAIOM-GHMZBOCLSA-N	1	3	313.402	-1.170	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001448792713	929471718	/nfs/dbraw/zinc/47/17/18/929471718.db2.gz	VRNWIIOBBPAIOM-GHMZBOCLSA-N	1	3	313.402	-1.170	20	0		DAADHO
C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C)CC[N@@H+]1C	ZINC001449131734	929548437	/nfs/dbraw/zinc/54/84/37/929548437.db2.gz	VNFQCMJBXDOSNM-JHJVBQTASA-N	1	3	314.430	-1.176	20	0		DAADHO
C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C)CC[N@H+]1C	ZINC001449131734	929548444	/nfs/dbraw/zinc/54/84/44/929548444.db2.gz	VNFQCMJBXDOSNM-JHJVBQTASA-N	1	3	314.430	-1.176	20	0		DAADHO
C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C)CC[N@@H+]1C	ZINC001449131733	929549204	/nfs/dbraw/zinc/54/92/04/929549204.db2.gz	VNFQCMJBXDOSNM-FRRDWIJNSA-N	1	3	314.430	-1.176	20	0		DAADHO
C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C)CC[N@H+]1C	ZINC001449131733	929549210	/nfs/dbraw/zinc/54/92/10/929549210.db2.gz	VNFQCMJBXDOSNM-FRRDWIJNSA-N	1	3	314.430	-1.176	20	0		DAADHO
C[C@@H](NC[C@@H](O)CN(C)C(=O)CC[NH+](C)C)C(=O)N(C)C	ZINC001449148424	929552660	/nfs/dbraw/zinc/55/26/60/929552660.db2.gz	TVZNXBUPEKXMJQ-VXGBXAGGSA-N	1	3	302.419	-1.176	20	0		DAADHO
CCCN(C)CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCNC1=O	ZINC001449166527	929558919	/nfs/dbraw/zinc/55/89/19/929558919.db2.gz	XACOCFJNGQWVDV-VXGBXAGGSA-N	1	3	300.403	-1.374	20	0		DAADHO
CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1	ZINC001549050347	930050778	/nfs/dbraw/zinc/05/07/78/930050778.db2.gz	LGPXTECQGICXNU-OBJOEFQTSA-N	1	3	322.413	-1.227	20	0		DAADHO
CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1	ZINC001549050348	930050934	/nfs/dbraw/zinc/05/09/34/930050934.db2.gz	LGPXTECQGICXNU-SCRDCRAPSA-N	1	3	322.413	-1.227	20	0		DAADHO
NCc1cn([C@@H]2CCCN(C(=O)CN3CC[NH2+]CC3)C2)nn1	ZINC001550063238	930061038	/nfs/dbraw/zinc/06/10/38/930061038.db2.gz	LLXOOBKTUNJFLM-CYBMUJFWSA-N	1	3	307.402	-1.195	20	0		DAADHO
N[C@@H]1C[C@@H]2CN(C(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)CCN2C1=O	ZINC001552376083	930073252	/nfs/dbraw/zinc/07/32/52/930073252.db2.gz	OPYCCNBUWWPDOF-CKYFFXLPSA-N	1	3	318.381	-1.129	20	0		DAADHO
CN1CC[C@]2(C(=O)NCC(=O)N3CCNCC3)C[NH2+]C[C@@H]2C1	ZINC001553349155	930074515	/nfs/dbraw/zinc/07/45/15/930074515.db2.gz	CXCSUQDKTCXDQU-DOMZBBRYSA-N	1	3	309.414	-1.924	20	0		DAADHO
COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21	ZINC000419451306	545768852	/nfs/dbraw/zinc/76/88/52/545768852.db2.gz	NCGARNKXPLAZBM-OLZOCXBDSA-N	1	3	312.414	-1.109	20	0		DAADHO
COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1	ZINC000419842031	545768909	/nfs/dbraw/zinc/76/89/09/545768909.db2.gz	LDCBHCJYGYOYDM-GFCCVEGCSA-N	1	3	300.403	-1.109	20	0		DAADHO
CN(C(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2)[C@H]1C[NH2+]C[C@@H]1O	ZINC000643591789	372769010	/nfs/dbraw/zinc/76/90/10/372769010.db2.gz	LCENIHVJSPAEOZ-HEHGZKQESA-N	1	3	324.425	-1.278	20	0		DAADHO
CN1CCC[C@H](N2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)C1	ZINC000642925087	372865075	/nfs/dbraw/zinc/86/50/75/372865075.db2.gz	YPLHAEMTHWZIDS-ZDUSSCGKSA-N	1	3	309.414	-1.687	20	0		DAADHO
C[NH2+][C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C1	ZINC000567645090	372890385	/nfs/dbraw/zinc/89/03/85/372890385.db2.gz	HIBFDGZRISDXEL-ZDUSSCGKSA-N	1	3	313.446	-1.242	20	0		DAADHO
C[C@H](NS(C)(=O)=O)C(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000081354852	372884669	/nfs/dbraw/zinc/88/46/69/372884669.db2.gz	KABUCNPIMKJPGA-NSHDSACASA-N	1	3	308.448	-1.124	20	0		DAADHO
C[C@@H](NS(C)(=O)=O)C(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000081354853	372885620	/nfs/dbraw/zinc/88/56/20/372885620.db2.gz	KABUCNPIMKJPGA-LLVKDONJSA-N	1	3	308.448	-1.124	20	0		DAADHO
N[C@H]1C[C@@H]2CN(C(=O)CN3CCCC[C@@H]([NH3+])C3=O)CCN2C1=O	ZINC000594878120	372994146	/nfs/dbraw/zinc/99/41/46/372994146.db2.gz	NCSQZFQBUVHXEP-UTUOFQBUSA-N	1	3	323.397	-1.903	20	0		DAADHO
C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1	ZINC000595993585	373011404	/nfs/dbraw/zinc/01/14/04/373011404.db2.gz	SCVJXMIGDNABPG-WOPDTQHZSA-N	1	3	323.397	-2.081	20	0		DAADHO
CN(CC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1	ZINC000595983533	373009096	/nfs/dbraw/zinc/00/90/96/373009096.db2.gz	DPOZOTAWDIJVER-QWRGUYRKSA-N	1	3	311.386	-2.223	20	0		DAADHO
N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CCN2C1=O	ZINC000602531995	373062800	/nfs/dbraw/zinc/06/28/00/373062800.db2.gz	YZADKSNDTOFVJF-LPWJVIDDSA-N	1	3	308.382	-1.380	20	0		DAADHO
N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CCN2C1=O	ZINC000602531995	373062807	/nfs/dbraw/zinc/06/28/07/373062807.db2.gz	YZADKSNDTOFVJF-LPWJVIDDSA-N	1	3	308.382	-1.380	20	0		DAADHO
N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CCN2C1=O	ZINC000602531993	373063870	/nfs/dbraw/zinc/06/38/70/373063870.db2.gz	YZADKSNDTOFVJF-FDYHWXHSSA-N	1	3	308.382	-1.380	20	0		DAADHO
N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CCN2C1=O	ZINC000602531993	373063876	/nfs/dbraw/zinc/06/38/76/373063876.db2.gz	YZADKSNDTOFVJF-FDYHWXHSSA-N	1	3	308.382	-1.380	20	0		DAADHO
C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1	ZINC000627380730	373071519	/nfs/dbraw/zinc/07/15/19/373071519.db2.gz	XFSXTCWRQKFEEM-ZDUSSCGKSA-N	1	3	312.414	-1.061	20	0		DAADHO
CN1CCC(NC(=O)C(=O)NCCOCC[NH+](C)C)CC1	ZINC000339639350	373128889	/nfs/dbraw/zinc/12/88/89/373128889.db2.gz	RDLXKRMRQSFDGF-UHFFFAOYSA-N	1	3	300.403	-1.109	20	0		DAADHO
CCN1CCN(CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1	ZINC000263256556	373145287	/nfs/dbraw/zinc/14/52/87/373145287.db2.gz	RBXNXMGEJDGHIQ-AWEZNQCLSA-N	1	3	313.446	-1.160	20	0		DAADHO
CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN	ZINC000572137519	373328810	/nfs/dbraw/zinc/32/88/10/373328810.db2.gz	ZAQTYECAGNWNIB-OLZOCXBDSA-N	1	3	313.446	-1.066	20	0		DAADHO
CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@H]1CN	ZINC000571985904	373329314	/nfs/dbraw/zinc/32/93/14/373329314.db2.gz	LFWPQMNGUKYBFG-CHWSQXEVSA-N	1	3	313.446	-1.066	20	0		DAADHO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@H]1CN	ZINC000571985904	373329323	/nfs/dbraw/zinc/32/93/23/373329323.db2.gz	LFWPQMNGUKYBFG-CHWSQXEVSA-N	1	3	313.446	-1.066	20	0		DAADHO
CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@H]1CN	ZINC000571985906	373329450	/nfs/dbraw/zinc/32/94/50/373329450.db2.gz	LFWPQMNGUKYBFG-QWHCGFSZSA-N	1	3	313.446	-1.066	20	0		DAADHO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@H]1CN	ZINC000571985906	373329457	/nfs/dbraw/zinc/32/94/57/373329457.db2.gz	LFWPQMNGUKYBFG-QWHCGFSZSA-N	1	3	313.446	-1.066	20	0		DAADHO
CN(CCOCC[NH3+])C(=O)C(=O)N(C)CCN1CCCC1	ZINC000629794492	373404922	/nfs/dbraw/zinc/40/49/22/373404922.db2.gz	PRYXTPYSKAOTIK-UHFFFAOYSA-N	1	3	300.403	-1.026	20	0		DAADHO
CN(CCOCC[NH3+])C(=O)C(=O)N(C)CCN(C)C1CC1	ZINC000629803851	373407607	/nfs/dbraw/zinc/40/76/07/373407607.db2.gz	VLNJIQVIMWJUBW-UHFFFAOYSA-N	1	3	300.403	-1.027	20	0		DAADHO
COCCN(C)C[C@@H](O)Cn1cc(CN2CC[NH2+]CC2)nn1	ZINC000641224071	373420236	/nfs/dbraw/zinc/42/02/36/373420236.db2.gz	SPAWNYDSYXYVMY-CQSZACIVSA-N	1	3	312.418	-1.378	20	0		DAADHO
COCCN(C)C[C@H](O)Cn1cc(CN2CC[NH2+]CC2)nn1	ZINC000641224067	373420300	/nfs/dbraw/zinc/42/03/00/373420300.db2.gz	SPAWNYDSYXYVMY-AWEZNQCLSA-N	1	3	312.418	-1.378	20	0		DAADHO
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN	ZINC000642114153	373438023	/nfs/dbraw/zinc/43/80/23/373438023.db2.gz	GQYBLMQTELEUSP-OLZOCXBDSA-N	1	3	313.446	-1.066	20	0		DAADHO
CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(C)C[C@H]1CN	ZINC000642114154	373438241	/nfs/dbraw/zinc/43/82/41/373438241.db2.gz	GQYBLMQTELEUSP-QWHCGFSZSA-N	1	3	313.446	-1.066	20	0		DAADHO
C[NH+](C)CCCN1C(=O)C[C@H](NCCN2CCOCC2)C1=O	ZINC000567910962	373539864	/nfs/dbraw/zinc/53/98/64/373539864.db2.gz	JWVSIZSNCKJVTA-ZDUSSCGKSA-N	1	3	312.414	-1.013	20	0		DAADHO
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+]	ZINC000577208869	373573023	/nfs/dbraw/zinc/57/30/23/373573023.db2.gz	PIXGXNMWVBFHPE-KWCYVHTRSA-N	1	3	323.441	-1.313	20	0		DAADHO
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+]	ZINC000577208868	373573685	/nfs/dbraw/zinc/57/36/85/373573685.db2.gz	PIXGXNMWVBFHPE-BNOWGMLFSA-N	1	3	323.441	-1.313	20	0		DAADHO
CN1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1(C)C	ZINC000627334448	373649053	/nfs/dbraw/zinc/64/90/53/373649053.db2.gz	QZDYONFLGKVKMS-GFCCVEGCSA-N	1	3	311.430	-1.393	20	0		DAADHO
CN1CCN(c2cc[nH+]cc2NC(=O)CNC(=O)CN)CC1	ZINC000581887314	373604797	/nfs/dbraw/zinc/60/47/97/373604797.db2.gz	MFEJBVNRNCHYQS-UHFFFAOYSA-N	1	3	306.370	-1.153	20	0		DAADHO
CN(C)C(=O)CC[NH+]1CCC(Nc2nc(N)nc(N)n2)CC1	ZINC000623957723	373662554	/nfs/dbraw/zinc/66/25/54/373662554.db2.gz	SBRAPXDMFQLVBO-UHFFFAOYSA-N	1	3	308.390	-1.527	20	0		DAADHO
Nc1nc(N)nc(NCC(=O)NCC[NH+]2CCCCCC2)n1	ZINC000624243898	373667271	/nfs/dbraw/zinc/66/72/71/373667271.db2.gz	CUYQKTZLNDKICV-UHFFFAOYSA-N	1	3	308.390	-1.477	20	0		DAADHO
COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C	ZINC000627361614	373670865	/nfs/dbraw/zinc/67/08/65/373670865.db2.gz	SSZPKBRZCJCXEN-NWDGAFQWSA-N	1	3	300.403	-1.063	20	0		DAADHO
CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCN(C)C[C@@H]1CN	ZINC000631907163	373697195	/nfs/dbraw/zinc/69/71/95/373697195.db2.gz	FDDHJRUBMHXARR-LBPRGKRZSA-N	1	3	305.448	-1.510	20	0		DAADHO
CN(C)CCn1cc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cn1	ZINC000633025818	373725788	/nfs/dbraw/zinc/72/57/88/373725788.db2.gz	QQXNISNGKKMSCP-JQWIXIFHSA-N	1	3	306.370	-1.044	20	0		DAADHO
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCOCCN(C)C	ZINC000627393580	545828847	/nfs/dbraw/zinc/82/88/47/545828847.db2.gz	DBKFKQSTDZTHIS-NWDGAFQWSA-N	1	3	300.403	-1.063	20	0		DAADHO
CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1	ZINC000627398912	545831109	/nfs/dbraw/zinc/83/11/09/545831109.db2.gz	ZFOZVPKUWSEDKC-CYBMUJFWSA-N	1	3	313.446	-1.207	20	0		DAADHO
CN(C)CCN(C)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000342069924	545846129	/nfs/dbraw/zinc/84/61/29/545846129.db2.gz	OFEJPQHPDYBDQP-UHFFFAOYSA-N	1	3	310.402	-0.597	20	0		DAADHO
C[C@H](CN1CCN(C)CC1)NC(=O)NCC[N@@H+]1CC[C@H](O)C1	ZINC000636746314	409385909	/nfs/dbraw/zinc/38/59/09/409385909.db2.gz	GPNRJIZTIWPAGC-KGLIPLIRSA-N	1	3	313.446	-1.012	20	0		DAADHO
C[C@H](CN1CCN(C)CC1)NC(=O)NCC[N@H+]1CC[C@H](O)C1	ZINC000636746314	409385912	/nfs/dbraw/zinc/38/59/12/409385912.db2.gz	GPNRJIZTIWPAGC-KGLIPLIRSA-N	1	3	313.446	-1.012	20	0		DAADHO
CC(C)Nc1nc(NCCO)nc(NC[C@H](C)C[NH+](C)C)n1	ZINC000488980873	409338423	/nfs/dbraw/zinc/33/84/23/409338423.db2.gz	LXLRCCJWPLIELB-NSHDSACASA-N	1	3	311.434	-1.029	20	0		DAADHO
CN(C)CCN(C)C(=O)C(=O)NCC1CC[NH+](CCO)CC1	ZINC000344640626	409431486	/nfs/dbraw/zinc/43/14/86/409431486.db2.gz	MFKJWUGAOZFSDM-UHFFFAOYSA-N	1	3	314.430	-1.173	20	0		DAADHO
C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CN1C1CC1	ZINC000516434826	409557211	/nfs/dbraw/zinc/55/72/11/409557211.db2.gz	PMAXWOCXCXDDAC-YRGRVCCFSA-N	1	3	323.441	-1.171	20	0		DAADHO
C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CN1C1CC1	ZINC000516434823	409559141	/nfs/dbraw/zinc/55/91/41/409559141.db2.gz	PMAXWOCXCXDDAC-DYEKYZERSA-N	1	3	323.441	-1.171	20	0		DAADHO
CN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)[C@@H](CN)C1	ZINC000516027566	409559218	/nfs/dbraw/zinc/55/92/18/409559218.db2.gz	NWJRGSLLPSBWQA-LBPRGKRZSA-N	1	3	311.430	-1.312	20	0		DAADHO
CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1	ZINC000659738183	409532101	/nfs/dbraw/zinc/53/21/01/409532101.db2.gz	BEQLPUSKJBSGLM-OLZOCXBDSA-N	1	3	311.430	-1.312	20	0		DAADHO
CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1C[C@H](O)C[NH2+]1	ZINC000432532897	409569269	/nfs/dbraw/zinc/56/92/69/409569269.db2.gz	WCFORBFNTCSUGC-YNEHKIRRSA-N	1	3	312.414	-1.232	20	0		DAADHO
C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CCOC)CCN(C)C)C1	ZINC000423259991	409546193	/nfs/dbraw/zinc/54/61/93/409546193.db2.gz	GJJWEGREELIBAW-GFCCVEGCSA-N	1	3	300.403	-1.157	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCN(C)S1(=O)=O	ZINC000648770481	409637133	/nfs/dbraw/zinc/63/71/33/409637133.db2.gz	IOTISRGBFNWTGY-GFCCVEGCSA-N	1	3	320.459	-1.028	20	0		DAADHO
CCCN1CC[C@@H](NC(=O)C(=O)NCC[NH2+]CCOC)C1	ZINC000659725175	409694772	/nfs/dbraw/zinc/69/47/72/409694772.db2.gz	YSHSQXHXRJGFTP-GFCCVEGCSA-N	1	3	300.403	-1.061	20	0		DAADHO
CN1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)C1	ZINC000659731502	409699368	/nfs/dbraw/zinc/69/93/68/409699368.db2.gz	KTYJMACHAKPSNA-KBPBESRZSA-N	1	3	323.441	-1.297	20	0		DAADHO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1CN2CCN1CCC2	ZINC000649072688	409647954	/nfs/dbraw/zinc/64/79/54/409647954.db2.gz	HFNTURGGXOZWLU-ZIAGYGMSSA-N	1	3	323.441	-1.045	20	0		DAADHO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CN2CCN1CCC2	ZINC000649072686	409649263	/nfs/dbraw/zinc/64/92/63/409649263.db2.gz	HFNTURGGXOZWLU-KGLIPLIRSA-N	1	3	323.441	-1.045	20	0		DAADHO
COCCN(C)CCCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000659703426	409690001	/nfs/dbraw/zinc/69/00/01/409690001.db2.gz	BUXARRWMCVEUAT-UHFFFAOYSA-N	1	3	312.414	-1.061	20	0		DAADHO
COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]([NH3+])C1CC1	ZINC000419856770	263284421	/nfs/dbraw/zinc/28/44/21/263284421.db2.gz	FTCBMVMLXVCSAM-LBPRGKRZSA-N	1	3	300.403	-1.124	20	0		DAADHO
CN(C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)[C@H]1C[NH2+]C[C@@H]1O	ZINC000331718716	263310847	/nfs/dbraw/zinc/31/08/47/263310847.db2.gz	HOBOXRXDEGMHNS-RDBSUJKOSA-N	1	3	324.425	-1.136	20	0		DAADHO
COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1	ZINC001195277909	782061926	/nfs/dbraw/zinc/06/19/26/782061926.db2.gz	LOUREXUBPIMHJN-UMSGYPCISA-N	1	3	301.387	-1.751	20	0		DAADHO
COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1	ZINC001195277909	782061937	/nfs/dbraw/zinc/06/19/37/782061937.db2.gz	LOUREXUBPIMHJN-UMSGYPCISA-N	1	3	301.387	-1.751	20	0		DAADHO
CN1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)[C@@H](CN)C1	ZINC000569359812	332049264	/nfs/dbraw/zinc/04/92/64/332049264.db2.gz	ROIWKOPMTDKORA-NEPJUHHUSA-N	1	3	307.402	-1.255	20	0		DAADHO
COc1cnccc1N1CCN(C(=O)C(=O)NCC[NH3+])CC1	ZINC000419823926	337492476	/nfs/dbraw/zinc/49/24/76/337492476.db2.gz	YWZQAZIZLCOODH-UHFFFAOYSA-N	1	3	307.354	-1.186	20	0		DAADHO
C[NH2+][C@H]1CCN(C(=O)C(=O)N(CCOC)CCN(C)C)C1	ZINC000423259992	337707845	/nfs/dbraw/zinc/70/78/45/337707845.db2.gz	GJJWEGREELIBAW-LBPRGKRZSA-N	1	3	300.403	-1.157	20	0		DAADHO
CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC000566250268	341552034	/nfs/dbraw/zinc/55/20/34/341552034.db2.gz	CWOZEKQUXYMFPM-OCCSQVGLSA-N	1	3	311.430	-1.408	20	0		DAADHO
CN(C)CCN1C[C@H](C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1=O	ZINC000576282782	341838063	/nfs/dbraw/zinc/83/80/63/341838063.db2.gz	SSLRYZOSLIGTSG-OLZOCXBDSA-N	1	3	312.414	-1.027	20	0		DAADHO
CN(C)C[C@@H](CO)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000673524554	545866378	/nfs/dbraw/zinc/86/63/78/545866378.db2.gz	YPDMFMAQNJBUJX-RYUDHWBXSA-N	1	3	300.403	-1.565	20	0		DAADHO
[NH3+]CCCOC1CCN(S(=O)(=O)N2CCNCC2)CC1	ZINC000923577144	663698603	/nfs/dbraw/zinc/69/86/03/663698603.db2.gz	OHOWJGGEMOTDDU-UHFFFAOYSA-N	1	3	306.432	-1.034	20	0		DAADHO
C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1)C(N)=O	ZINC001020405677	662306588	/nfs/dbraw/zinc/30/65/88/662306588.db2.gz	ACHZSXJSKYTNGU-ABISHYOASA-N	1	3	322.409	-1.040	20	0		DAADHO
NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1	ZINC001022451677	662392765	/nfs/dbraw/zinc/39/27/65/662392765.db2.gz	DVPPLPNTVWNNKI-JEHXAXEVSA-N	1	3	308.382	-1.428	20	0		DAADHO
C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1)C(N)=O	ZINC001022451456	662392899	/nfs/dbraw/zinc/39/28/99/662392899.db2.gz	ACHZSXJSKYTNGU-NMPGSNNOSA-N	1	3	322.409	-1.040	20	0		DAADHO
C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1)C(N)=O	ZINC001022451457	662393066	/nfs/dbraw/zinc/39/30/66/662393066.db2.gz	ACHZSXJSKYTNGU-SHKVPVGKSA-N	1	3	322.409	-1.040	20	0		DAADHO
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCNCCNCC3)CC[C@@H]21	ZINC000926398481	662403052	/nfs/dbraw/zinc/40/30/52/662403052.db2.gz	VSCRNOLMLDJZIV-KGLIPLIRSA-N	1	3	323.441	-1.440	20	0		DAADHO
C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCNCCNCC3)CC[C@@H]21	ZINC000926398481	662403055	/nfs/dbraw/zinc/40/30/55/662403055.db2.gz	VSCRNOLMLDJZIV-KGLIPLIRSA-N	1	3	323.441	-1.440	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1	ZINC001026145822	662542881	/nfs/dbraw/zinc/54/28/81/662542881.db2.gz	MGVOBBGWZXKKLF-DIACKHNESA-N	1	3	320.393	-1.210	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1	ZINC001026145822	662542882	/nfs/dbraw/zinc/54/28/82/662542882.db2.gz	MGVOBBGWZXKKLF-DIACKHNESA-N	1	3	320.393	-1.210	20	0		DAADHO
CN(CCO)CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000925007354	662694270	/nfs/dbraw/zinc/69/42/70/662694270.db2.gz	OCYMQHQUZFEGSK-LBPRGKRZSA-N	1	3	300.403	-1.563	20	0		DAADHO
O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2	ZINC000911147817	663137579	/nfs/dbraw/zinc/13/75/79/663137579.db2.gz	JQZFDONIBOBSID-XHJNMGKDSA-N	1	3	322.409	-1.025	20	0		DAADHO
C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C[C@H]1[NH3+]	ZINC000911147007	663137703	/nfs/dbraw/zinc/13/77/03/663137703.db2.gz	DQNWNVKABWAZLI-FVCCEPFGSA-N	1	3	310.398	-1.229	20	0		DAADHO
C[NH+](C)C1(CNC(=O)C(=O)N2CCNCCNCC2)CCC1	ZINC000911117628	663137865	/nfs/dbraw/zinc/13/78/65/663137865.db2.gz	ZWGMQCIVTKWRDN-UHFFFAOYSA-N	1	3	311.430	-1.392	20	0		DAADHO
[NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1	ZINC000911222742	663139377	/nfs/dbraw/zinc/13/93/77/663139377.db2.gz	HKALTRXQRBZUCL-CZUORRHYSA-N	1	3	324.425	-1.101	20	0		DAADHO
[NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1	ZINC000911222740	663139669	/nfs/dbraw/zinc/13/96/69/663139669.db2.gz	HKALTRXQRBZUCL-CJNGLKHVSA-N	1	3	324.425	-1.101	20	0		DAADHO
C[C@@H](CNC(=O)C(=O)N1CCNCCNCC1)[N@H+](C)C1CC1	ZINC000911204514	663139828	/nfs/dbraw/zinc/13/98/28/663139828.db2.gz	FMCILTGWZWHUFK-LBPRGKRZSA-N	1	3	311.430	-1.393	20	0		DAADHO
C[C@@H](CNC(=O)C(=O)N1CCNCCNCC1)[N@@H+](C)C1CC1	ZINC000911204514	663139832	/nfs/dbraw/zinc/13/98/32/663139832.db2.gz	FMCILTGWZWHUFK-LBPRGKRZSA-N	1	3	311.430	-1.393	20	0		DAADHO
[NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1	ZINC000911222743	663139904	/nfs/dbraw/zinc/13/99/04/663139904.db2.gz	HKALTRXQRBZUCL-XJKSGUPXSA-N	1	3	324.425	-1.101	20	0		DAADHO
O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCNCCNCC1	ZINC000911269551	663140178	/nfs/dbraw/zinc/14/01/78/663140178.db2.gz	LMMMQVSTRSSUHI-UONOGXRCSA-N	1	3	323.441	-1.249	20	0		DAADHO
O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCNCCNCC1	ZINC000911269551	663140179	/nfs/dbraw/zinc/14/01/79/663140179.db2.gz	LMMMQVSTRSSUHI-UONOGXRCSA-N	1	3	323.441	-1.249	20	0		DAADHO
C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CNCCO3)C[C@]2(C)C1	ZINC000911311261	663141777	/nfs/dbraw/zinc/14/17/77/663141777.db2.gz	QOMUCRJDHCRFEZ-JMSVASOKSA-N	1	3	310.398	-1.499	20	0		DAADHO
C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CNCCO3)C[C@]2(C)C1	ZINC000911311261	663141780	/nfs/dbraw/zinc/14/17/80/663141780.db2.gz	QOMUCRJDHCRFEZ-JMSVASOKSA-N	1	3	310.398	-1.499	20	0		DAADHO
CCO[C@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)C[NH+](C)C	ZINC000911310818	663141826	/nfs/dbraw/zinc/14/18/26/663141826.db2.gz	NXPGCKJNOAGTNW-NWDGAFQWSA-N	1	3	316.402	-1.826	20	0		DAADHO
CC1(C)CCN(CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1	ZINC000911312072	663142051	/nfs/dbraw/zinc/14/20/51/663142051.db2.gz	UHWYAUKPTDNEDT-GFCCVEGCSA-N	1	3	312.414	-1.061	20	0		DAADHO
CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1	ZINC000911337784	663142443	/nfs/dbraw/zinc/14/24/43/663142443.db2.gz	WHHIQJKLUGQPPY-WFASDCNBSA-N	1	3	312.414	-1.101	20	0		DAADHO
CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1	ZINC000911337783	663142503	/nfs/dbraw/zinc/14/25/03/663142503.db2.gz	WHHIQJKLUGQPPY-SWLSCSKDSA-N	1	3	312.414	-1.101	20	0		DAADHO
COCCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C	ZINC000911377973	663143550	/nfs/dbraw/zinc/14/35/50/663143550.db2.gz	JVTWDIYQURCPSS-OLZOCXBDSA-N	1	3	314.430	-1.005	20	0		DAADHO
COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C	ZINC000911374201	663143633	/nfs/dbraw/zinc/14/36/33/663143633.db2.gz	HSMBZQZKHCVNPP-VXGBXAGGSA-N	1	3	300.403	-1.253	20	0		DAADHO
C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1NCC(N)=O	ZINC000939292738	663349117	/nfs/dbraw/zinc/34/91/17/663349117.db2.gz	NFLBCKUGRJWPGF-DGCLKSJQSA-N	1	3	322.413	-1.020	20	0		DAADHO
NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CN3CCC[C@H]3CO2)CC1	ZINC000996622943	663489903	/nfs/dbraw/zinc/48/99/03/663489903.db2.gz	TYXQHACWHJBRRL-QWHCGFSZSA-N	1	3	310.398	-1.085	20	0		DAADHO
NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1	ZINC000996622934	663489911	/nfs/dbraw/zinc/48/99/11/663489911.db2.gz	TYXQHACWHJBRRL-OLZOCXBDSA-N	1	3	310.398	-1.085	20	0		DAADHO
CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)C1CC([NH2+]CC(N)=O)C1	ZINC000999142952	663556397	/nfs/dbraw/zinc/55/63/97/663556397.db2.gz	IGFXUJBKZSBHBC-PCPABOIYSA-N	1	3	322.409	-1.086	20	0		DAADHO
CN(CCNC(=O)C[C@]1(O)CCC[N@H+](C)C1)CCOCCO	ZINC000922129232	663622928	/nfs/dbraw/zinc/62/29/28/663622928.db2.gz	POGJSGQIJISGDE-OAHLLOKOSA-N	1	3	317.430	-1.110	20	0		DAADHO
CN(CCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)CCOCCO	ZINC000922129232	663622930	/nfs/dbraw/zinc/62/29/30/663622930.db2.gz	POGJSGQIJISGDE-OAHLLOKOSA-N	1	3	317.430	-1.110	20	0		DAADHO
CN1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1	ZINC000946918724	663698543	/nfs/dbraw/zinc/69/85/43/663698543.db2.gz	PXYPOZOLUMZDQY-QWHCGFSZSA-N	1	3	324.425	-1.088	20	0		DAADHO
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1	ZINC000861756034	663918836	/nfs/dbraw/zinc/91/88/36/663918836.db2.gz	SLSAPURVKXFPGA-ZDEQEGDKSA-N	1	3	310.398	-1.168	20	0		DAADHO
O=C1COC[C@]2(C[NH2+]C[C@@H](O)CN3CCCC3)COCCN12	ZINC000872232821	663939103	/nfs/dbraw/zinc/93/91/03/663939103.db2.gz	HNLMBQUAOAKXEZ-HIFRSBDPSA-N	1	3	313.398	-1.340	20	0		DAADHO
C[NH+](C)C[C@H](N)C(=O)N1CCN(C(=O)CN2CCCC2)CC1	ZINC000876752708	663947630	/nfs/dbraw/zinc/94/76/30/663947630.db2.gz	WYKUXAVGOWZKOL-ZDUSSCGKSA-N	1	3	311.430	-1.358	20	0		DAADHO
O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(S(=O)(=O)C2CNC2)C1	ZINC000923668780	663950755	/nfs/dbraw/zinc/95/07/55/663950755.db2.gz	LEDPDTPZYKMDDA-INTQDDNPSA-N	1	3	316.383	-1.845	20	0		DAADHO
[NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1	ZINC000884560239	663964506	/nfs/dbraw/zinc/96/45/06/663964506.db2.gz	RLRTZOUCWCMZRV-FRRDWIJNSA-N	1	3	310.398	-1.085	20	0		DAADHO
O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2	ZINC000884560356	663964931	/nfs/dbraw/zinc/96/49/31/663964931.db2.gz	VOTVVUSGUCXIBE-RNJOBUHISA-N	1	3	308.382	-1.462	20	0		DAADHO
O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000884560495	663965096	/nfs/dbraw/zinc/96/50/96/663965096.db2.gz	YTYQSYJMOSIEIB-XJFOESAGSA-N	1	3	322.409	-1.071	20	0		DAADHO
CN1CCN(CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1(C)C	ZINC000884507904	663965255	/nfs/dbraw/zinc/96/52/55/663965255.db2.gz	PNHNYGHKCGPNIM-STQMWFEESA-N	1	3	323.441	-1.299	20	0		DAADHO
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CNCCO3)CC[C@@H]21	ZINC000884725398	663966267	/nfs/dbraw/zinc/96/62/67/663966267.db2.gz	IKWHWFYNKBGIJM-UPJWGTAASA-N	1	3	310.398	-1.356	20	0		DAADHO
C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CNCCO3)CC[C@@H]21	ZINC000884725398	663966271	/nfs/dbraw/zinc/96/62/71/663966271.db2.gz	IKWHWFYNKBGIJM-UPJWGTAASA-N	1	3	310.398	-1.356	20	0		DAADHO
C[C@H]1CN(C(=O)C(=O)N2CCNCCNCC2)C[C@@H]1[NH+](C)C	ZINC000926340257	663982050	/nfs/dbraw/zinc/98/20/50/663982050.db2.gz	FBJZTSYHNCFKAU-STQMWFEESA-N	1	3	311.430	-1.584	20	0		DAADHO
[NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1	ZINC000926326100	663982888	/nfs/dbraw/zinc/98/28/88/663982888.db2.gz	KNMGTWURJXILHT-CJNGLKHVSA-N	1	3	324.425	-1.005	20	0		DAADHO
CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCNCCNCC1	ZINC000926362293	663983342	/nfs/dbraw/zinc/98/33/42/663983342.db2.gz	ZJEBSWHMSFUJJZ-UHFFFAOYSA-N	1	3	311.430	-1.440	20	0		DAADHO
CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCNCCNCC1	ZINC000926362293	663983343	/nfs/dbraw/zinc/98/33/43/663983343.db2.gz	ZJEBSWHMSFUJJZ-UHFFFAOYSA-N	1	3	311.430	-1.440	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2O)C1	ZINC000963383753	664389958	/nfs/dbraw/zinc/38/99/58/664389958.db2.gz	VAGCODKMMGWTPL-RTXFEEFZSA-N	1	3	321.381	-1.408	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2O)C1	ZINC000963383753	664389960	/nfs/dbraw/zinc/38/99/60/664389960.db2.gz	VAGCODKMMGWTPL-RTXFEEFZSA-N	1	3	321.381	-1.408	20	0		DAADHO
C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC(N)=O	ZINC001082653344	678118367	/nfs/dbraw/zinc/11/83/67/678118367.db2.gz	GLQSHHNSUVWDKE-RYMLTCQSSA-N	1	3	322.409	-1.229	20	0		DAADHO
C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1O	ZINC001081733879	678103330	/nfs/dbraw/zinc/10/33/30/678103330.db2.gz	ZXVVWDTUVAEQQE-DGCLKSJQSA-N	1	3	323.397	-1.161	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cc3c[nH]cn3)C2)C1	ZINC001043118982	678366719	/nfs/dbraw/zinc/36/67/19/678366719.db2.gz	QJMQGSWVNMTYIS-NSHDSACASA-N	1	3	321.381	-1.407	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cc3c[nH]cn3)C2)C1	ZINC001043118982	678366723	/nfs/dbraw/zinc/36/67/23/678366723.db2.gz	QJMQGSWVNMTYIS-NSHDSACASA-N	1	3	321.381	-1.407	20	0		DAADHO
C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)Cc2c[nH]cn2)C1	ZINC001045714110	678470041	/nfs/dbraw/zinc/47/00/41/678470041.db2.gz	YMIRKNVCHVVPFM-UHFFFAOYSA-N	1	3	309.370	-1.407	20	0		DAADHO
CC(C)N1CCO[C@@H](C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)C1	ZINC001047499347	678525718	/nfs/dbraw/zinc/52/57/18/678525718.db2.gz	HGVHVRVTMSYZML-MELADBBJSA-N	1	3	315.414	-1.409	20	0		DAADHO
CC(C)N1CCO[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)C1	ZINC001047499347	678525719	/nfs/dbraw/zinc/52/57/19/678525719.db2.gz	HGVHVRVTMSYZML-MELADBBJSA-N	1	3	315.414	-1.409	20	0		DAADHO
C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1NCC(N)=O	ZINC001054653736	678633908	/nfs/dbraw/zinc/63/39/08/678633908.db2.gz	FMQHBYSCFPWWHQ-DGCLKSJQSA-N	1	3	322.413	-1.020	20	0		DAADHO
O=C(N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2	ZINC001051904493	678778764	/nfs/dbraw/zinc/77/87/64/678778764.db2.gz	OOFCNHYEIBJMFV-QWHCGFSZSA-N	1	3	322.409	-1.212	20	0		DAADHO
O=C(N1CCO[C@H](CN[C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2	ZINC001051904492	678778870	/nfs/dbraw/zinc/77/88/70/678778870.db2.gz	OOFCNHYEIBJMFV-OLZOCXBDSA-N	1	3	322.409	-1.212	20	0		DAADHO
CN(C)[C@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)C1CC1	ZINC001070209059	678859196	/nfs/dbraw/zinc/85/91/96/678859196.db2.gz	KQVSLCQMTIABIU-RDBSUJKOSA-N	1	3	322.413	-1.048	20	0		DAADHO
CNC(=O)CNC[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1	ZINC001201334131	782217853	/nfs/dbraw/zinc/21/78/53/782217853.db2.gz	FYULCGHNUNHCFR-LBPRGKRZSA-N	1	3	300.403	-1.109	20	0		DAADHO
CNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1	ZINC001202060224	782227685	/nfs/dbraw/zinc/22/76/85/782227685.db2.gz	VPWCFNZKPTXTIS-QWHCGFSZSA-N	1	3	312.414	-1.109	20	0		DAADHO
CNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1	ZINC001202060224	782227692	/nfs/dbraw/zinc/22/76/92/782227692.db2.gz	VPWCFNZKPTXTIS-QWHCGFSZSA-N	1	3	312.414	-1.109	20	0		DAADHO
COC[C@@H](O)CN1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2	ZINC001274644039	782288783	/nfs/dbraw/zinc/28/87/83/782288783.db2.gz	YQBZNIRFWQQTKO-ZFWWWQNUSA-N	1	3	315.414	-1.141	20	0		DAADHO
C[C@@H](CNCCNS(C)(=O)=O)NC(=O)C1CC[NH+](C)CC1	ZINC001275291224	782307438	/nfs/dbraw/zinc/30/74/38/782307438.db2.gz	GSPUYNCIHSAYCC-NSHDSACASA-N	1	3	320.459	-1.028	20	0		DAADHO
CCN(CC)CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1	ZINC001043157758	782397167	/nfs/dbraw/zinc/39/71/67/782397167.db2.gz	JPINUXIKBWDCMM-UHFFFAOYSA-N	1	3	314.430	-1.031	20	0		DAADHO
CCS(=O)(=O)NCCNCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001267072390	775200276	/nfs/dbraw/zinc/20/02/76/775200276.db2.gz	YKVVQSSGGSKZJG-GFCCVEGCSA-N	1	3	320.459	-1.075	20	0		DAADHO
CCS(=O)(=O)NCCNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001267072390	775200278	/nfs/dbraw/zinc/20/02/78/775200278.db2.gz	YKVVQSSGGSKZJG-GFCCVEGCSA-N	1	3	320.459	-1.075	20	0		DAADHO
Cc1[nH]cnc1CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O	ZINC001149129357	775325115	/nfs/dbraw/zinc/32/51/15/775325115.db2.gz	ANOREVRQRMQIMZ-UHFFFAOYSA-N	1	3	322.369	-1.092	20	0		DAADHO
CN(C)CCN1C(=O)COCC12CN(C(=O)[C@H]1CC[N@H+](C)C1)C2	ZINC001269246837	775452263	/nfs/dbraw/zinc/45/22/63/775452263.db2.gz	AMFNPZHUGMJPAW-ZDUSSCGKSA-N	1	3	324.425	-1.061	20	0		DAADHO
CN(C)CCN1C(=O)COCC12CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2	ZINC001269246837	775452268	/nfs/dbraw/zinc/45/22/68/775452268.db2.gz	AMFNPZHUGMJPAW-ZDUSSCGKSA-N	1	3	324.425	-1.061	20	0		DAADHO
CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H](O)CN3C)C2)C1	ZINC001272273625	775591320	/nfs/dbraw/zinc/59/13/20/775591320.db2.gz	SYAIRCHTQVVEEZ-STQMWFEESA-N	1	3	324.425	-1.326	20	0		DAADHO
CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H](O)CN3C)C2)C1	ZINC001272273625	775591324	/nfs/dbraw/zinc/59/13/24/775591324.db2.gz	SYAIRCHTQVVEEZ-STQMWFEESA-N	1	3	324.425	-1.326	20	0		DAADHO
NCC(=O)N[C@@H](CO)c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1	ZINC001211958637	775627857	/nfs/dbraw/zinc/62/78/57/775627857.db2.gz	AXVSKEOSOSLJHG-NSHDSACASA-N	1	3	318.337	-1.114	20	0		DAADHO
C[C@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)N1CCN(C)CC1	ZINC001120574900	775734125	/nfs/dbraw/zinc/73/41/25/775734125.db2.gz	SGRXSORCUWCUIN-CVEARBPZSA-N	1	3	313.490	-1.180	20	0		DAADHO
CCCN(C)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O	ZINC001272566625	775778647	/nfs/dbraw/zinc/77/86/47/775778647.db2.gz	ABYATGTXKIVOBD-WDEREUQCSA-N	1	3	314.386	-1.800	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCCS(C)(=O)=O)C1	ZINC001272574435	775780835	/nfs/dbraw/zinc/78/08/35/775780835.db2.gz	HKSOMAGRPRWWEB-MNOVXSKESA-N	1	3	307.416	-1.951	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCCS(C)(=O)=O)C1	ZINC001272574435	775780843	/nfs/dbraw/zinc/78/08/43/775780843.db2.gz	HKSOMAGRPRWWEB-MNOVXSKESA-N	1	3	307.416	-1.951	20	0		DAADHO
C[C@H](NCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)NC(N)=O	ZINC001127466495	775808763	/nfs/dbraw/zinc/80/87/63/775808763.db2.gz	OPSKBEVJEQTDPF-ONGXEEELSA-N	1	3	311.386	-1.383	20	0		DAADHO
C[NH+](C)CCn1ccc(C(=O)NCCN[C@H]2CCNC2=O)n1	ZINC001127558244	775811786	/nfs/dbraw/zinc/81/17/86/775811786.db2.gz	HWPNWIDPWPZBEN-NSHDSACASA-N	1	3	308.386	-1.347	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001127643849	775819006	/nfs/dbraw/zinc/81/90/06/775819006.db2.gz	NVYOZIHRMQXUOY-HBNTYKKESA-N	1	3	313.402	-1.124	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001127643849	775819010	/nfs/dbraw/zinc/81/90/10/775819010.db2.gz	NVYOZIHRMQXUOY-HBNTYKKESA-N	1	3	313.402	-1.124	20	0		DAADHO
CC[C@@H]1[C@@H](C(=O)NCCNCCNS(C)(=O)=O)CC[N@@H+]1C	ZINC001127700688	775826236	/nfs/dbraw/zinc/82/62/36/775826236.db2.gz	ACSCXUZZPSPWQA-NWDGAFQWSA-N	1	3	320.459	-1.028	20	0		DAADHO
CC[C@@H]1[C@@H](C(=O)NCCNCCNS(C)(=O)=O)CC[N@H+]1C	ZINC001127700688	775826244	/nfs/dbraw/zinc/82/62/44/775826244.db2.gz	ACSCXUZZPSPWQA-NWDGAFQWSA-N	1	3	320.459	-1.028	20	0		DAADHO
O=C(CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)NC1CC1	ZINC001127777788	775861393	/nfs/dbraw/zinc/86/13/93/775861393.db2.gz	BQNARQAIKAHUHT-QWHCGFSZSA-N	1	3	310.398	-1.166	20	0		DAADHO
O=C(CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)NC1CC1	ZINC001127777788	775861401	/nfs/dbraw/zinc/86/14/01/775861401.db2.gz	BQNARQAIKAHUHT-QWHCGFSZSA-N	1	3	310.398	-1.166	20	0		DAADHO
NC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001127779153	775863308	/nfs/dbraw/zinc/86/33/08/775863308.db2.gz	JQTBKRCDYOEFJI-NXEZZACHSA-N	1	3	313.358	-2.250	20	0		DAADHO
NC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC001127779153	775863315	/nfs/dbraw/zinc/86/33/15/775863315.db2.gz	JQTBKRCDYOEFJI-NXEZZACHSA-N	1	3	313.358	-2.250	20	0		DAADHO
NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1	ZINC001086152330	776244078	/nfs/dbraw/zinc/24/40/78/776244078.db2.gz	AWXTVWIYMPQGFQ-FAZPBVIHSA-N	1	3	322.409	-1.181	20	0		DAADHO
NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1	ZINC001086431712	776261829	/nfs/dbraw/zinc/26/18/29/776261829.db2.gz	AWXTVWIYMPQGFQ-JRWADXHSSA-N	1	3	322.409	-1.181	20	0		DAADHO
CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1CCS(=O)(=O)C12CNC2	ZINC001157716993	776428052	/nfs/dbraw/zinc/42/80/52/776428052.db2.gz	VYWWJGHPNCGZIV-QWRGUYRKSA-N	1	3	317.411	-1.790	20	0		DAADHO
CN(C)[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1CC1	ZINC001129444091	776470316	/nfs/dbraw/zinc/47/03/16/776470316.db2.gz	PWFJGSFILFDKSS-NSHDSACASA-N	1	3	306.432	-1.418	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C	ZINC001129436470	776470352	/nfs/dbraw/zinc/47/03/52/776470352.db2.gz	PKIZPJWXBAZIDF-GFCCVEGCSA-N	1	3	313.402	-1.122	20	0		DAADHO
CN(C)[C@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)C1CC1	ZINC001129437405	776471066	/nfs/dbraw/zinc/47/10/66/776471066.db2.gz	ZXNUMHMUPAVDEU-LBPRGKRZSA-N	1	3	320.459	-1.076	20	0		DAADHO
CC[N@H+](C)C(C)(C)C(=O)NCCNCCNS(C)(=O)=O	ZINC001130427645	776509554	/nfs/dbraw/zinc/50/95/54/776509554.db2.gz	PYTGMQLRVNYMDU-UHFFFAOYSA-N	1	3	308.448	-1.028	20	0		DAADHO
CC[N@@H+](C)C(C)(C)C(=O)NCCNCCNS(C)(=O)=O	ZINC001130427645	776509558	/nfs/dbraw/zinc/50/95/58/776509558.db2.gz	PYTGMQLRVNYMDU-UHFFFAOYSA-N	1	3	308.448	-1.028	20	0		DAADHO
O=C(NCC[NH2+]CCn1cncn1)[C@@H]1CN2CC3CC2(C3)CO1	ZINC001131521990	776571903	/nfs/dbraw/zinc/57/19/03/776571903.db2.gz	ODZPRTSJLKUHTB-OWYJLGKBSA-N	1	3	320.397	-1.153	20	0		DAADHO
CN(C)C(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131519441	776573495	/nfs/dbraw/zinc/57/34/95/776573495.db2.gz	FIGRBYLKMRUUBY-MQYJIDSJSA-N	1	3	310.398	-1.356	20	0		DAADHO
CN(C)C(=O)CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1	ZINC001131519441	776573501	/nfs/dbraw/zinc/57/35/01/776573501.db2.gz	FIGRBYLKMRUUBY-MQYJIDSJSA-N	1	3	310.398	-1.356	20	0		DAADHO
CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001132885999	776645491	/nfs/dbraw/zinc/64/54/91/776645491.db2.gz	AKHDHNYKZZKRKH-QWRGUYRKSA-N	1	3	313.402	-1.122	20	0		DAADHO
CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC001132885999	776645496	/nfs/dbraw/zinc/64/54/96/776645496.db2.gz	AKHDHNYKZZKRKH-QWRGUYRKSA-N	1	3	313.402	-1.122	20	0		DAADHO
CCS(=O)(=O)NCCNCCNC(=O)C1(C[NH+](C)C)CC1	ZINC001132995260	776648739	/nfs/dbraw/zinc/64/87/39/776648739.db2.gz	PQDSYYDSFSUGCG-UHFFFAOYSA-N	1	3	320.459	-1.027	20	0		DAADHO
C[NH+](C)CCCC(=O)NCCNCC(=O)N1CCOCC1	ZINC001133040133	776650961	/nfs/dbraw/zinc/65/09/61/776650961.db2.gz	CESMPCOGBCHMOA-UHFFFAOYSA-N	1	3	300.403	-1.107	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)NCCNC(=O)C1CC[NH+](C)CC1	ZINC001133285980	776663244	/nfs/dbraw/zinc/66/32/44/776663244.db2.gz	QTOXGRXPQUSMPM-JTQLQIEISA-N	1	3	313.402	-1.122	20	0		DAADHO
CCCNC(=O)NC(=O)CNCCNC(=O)CC[NH+](C)C	ZINC001133294797	776665317	/nfs/dbraw/zinc/66/53/17/776665317.db2.gz	USGABSAVQOFBAD-UHFFFAOYSA-N	1	3	301.391	-1.120	20	0		DAADHO
CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CC[NH+](C)C	ZINC001133294403	776665486	/nfs/dbraw/zinc/66/54/86/776665486.db2.gz	HMEXFXRIORGIMD-SNVBAGLBSA-N	1	3	301.391	-1.122	20	0		DAADHO
CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)CC[NH+](C)C	ZINC001133294402	776665519	/nfs/dbraw/zinc/66/55/19/776665519.db2.gz	HMEXFXRIORGIMD-JTQLQIEISA-N	1	3	301.391	-1.122	20	0		DAADHO
CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C	ZINC001133863781	776680801	/nfs/dbraw/zinc/68/08/01/776680801.db2.gz	PFCZPEYRELPTDW-NWDGAFQWSA-N	1	3	320.459	-1.171	20	0		DAADHO
CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C	ZINC001133863781	776680806	/nfs/dbraw/zinc/68/08/06/776680806.db2.gz	PFCZPEYRELPTDW-NWDGAFQWSA-N	1	3	320.459	-1.171	20	0		DAADHO
C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCCNS(C)(=O)=O	ZINC001133862646	776681030	/nfs/dbraw/zinc/68/10/30/776681030.db2.gz	DYGJOPVMNOXIIS-QWRGUYRKSA-N	1	3	306.432	-1.561	20	0		DAADHO
C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCCNS(C)(=O)=O	ZINC001133862646	776681037	/nfs/dbraw/zinc/68/10/37/776681037.db2.gz	DYGJOPVMNOXIIS-QWRGUYRKSA-N	1	3	306.432	-1.561	20	0		DAADHO
C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCCNS(C)(=O)=O	ZINC001133862644	776681479	/nfs/dbraw/zinc/68/14/79/776681479.db2.gz	DYGJOPVMNOXIIS-GHMZBOCLSA-N	1	3	306.432	-1.561	20	0		DAADHO
C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCCNS(C)(=O)=O	ZINC001133862644	776681480	/nfs/dbraw/zinc/68/14/80/776681480.db2.gz	DYGJOPVMNOXIIS-GHMZBOCLSA-N	1	3	306.432	-1.561	20	0		DAADHO
C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)N2CCOCC2)C1	ZINC001133845977	776681776	/nfs/dbraw/zinc/68/17/76/776681776.db2.gz	QYFZHULQPBFWNP-ZDUSSCGKSA-N	1	3	312.414	-1.107	20	0		DAADHO
C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N2CCOCC2)C1	ZINC001133845977	776681779	/nfs/dbraw/zinc/68/17/79/776681779.db2.gz	QYFZHULQPBFWNP-ZDUSSCGKSA-N	1	3	312.414	-1.107	20	0		DAADHO
CC[C@@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)N(C)C	ZINC001133962187	776685090	/nfs/dbraw/zinc/68/50/90/776685090.db2.gz	FFLFGEWRXPFSOY-NSHDSACASA-N	1	3	308.448	-1.076	20	0		DAADHO
CC[C@@H](C(=O)NCC[NH2+]CCNS(=O)(=O)CC)N(C)C	ZINC001133966249	776686980	/nfs/dbraw/zinc/68/69/80/776686980.db2.gz	ZNYBMSXJQYDCSH-NSHDSACASA-N	1	3	308.448	-1.028	20	0		DAADHO
CCNC(=O)CNCCNC(=O)c1cnn(CC[NH+](C)C)c1	ZINC001135115023	776735911	/nfs/dbraw/zinc/73/59/11/776735911.db2.gz	UDZUTFCUTZUPFH-UHFFFAOYSA-N	1	3	310.402	-1.100	20	0		DAADHO
CNC(=O)[C@H](C)NCCNC(=O)c1cnn(CC[NH+](C)C)c1	ZINC001135118444	776737162	/nfs/dbraw/zinc/73/71/62/776737162.db2.gz	MXBDREFQQNMLDJ-NSHDSACASA-N	1	3	310.402	-1.101	20	0		DAADHO
CNC(=O)[C@H](C)NCCNC(=O)COC1CC[NH+](C)CC1	ZINC001135958528	776775655	/nfs/dbraw/zinc/77/56/55/776775655.db2.gz	BMBLZDVGWOIVCN-NSHDSACASA-N	1	3	300.403	-1.063	20	0		DAADHO
O=C([C@@H]1C[C@@H](NC[C@H]2CNCCO2)C[NH2+]1)N1CCSC1	ZINC001246088090	776787110	/nfs/dbraw/zinc/78/71/10/776787110.db2.gz	ISAQNXKCHXOJNA-UTUOFQBUSA-N	1	3	300.428	-1.172	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NC(=O)NC2CC2)C1	ZINC001151048370	779669994	/nfs/dbraw/zinc/66/99/94/779669994.db2.gz	AOUNTRQPXPVXDV-JTQLQIEISA-N	1	3	311.386	-1.368	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NC(=O)NC2CC2)C1	ZINC001151048370	779669998	/nfs/dbraw/zinc/66/99/98/779669998.db2.gz	AOUNTRQPXPVXDV-JTQLQIEISA-N	1	3	311.386	-1.368	20	0		DAADHO
C[C@@H]1CN(C(=O)CNCCNC(=O)[C@@H]2CC[N@H+](C)C2)CCO1	ZINC001151064966	779671496	/nfs/dbraw/zinc/67/14/96/779671496.db2.gz	GJVPUUIEOZFCPS-CHWSQXEVSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[C@@H]1CN(C(=O)CNCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CCO1	ZINC001151064966	779671500	/nfs/dbraw/zinc/67/15/00/779671500.db2.gz	GJVPUUIEOZFCPS-CHWSQXEVSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NC[C@H]2CCCO2)C1	ZINC001151049818	779671848	/nfs/dbraw/zinc/67/18/48/779671848.db2.gz	ZMCWQVLUAGTWAB-QWHCGFSZSA-N	1	3	312.414	-1.061	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NC[C@H]2CCCO2)C1	ZINC001151049818	779671855	/nfs/dbraw/zinc/67/18/55/779671855.db2.gz	ZMCWQVLUAGTWAB-QWHCGFSZSA-N	1	3	312.414	-1.061	20	0		DAADHO
CC(C)N(C)CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O	ZINC001152426735	779693429	/nfs/dbraw/zinc/69/34/29/779693429.db2.gz	MYIHUZGELGHBNJ-UHFFFAOYSA-N	1	3	308.448	-1.076	20	0		DAADHO
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CNCc2ccnn2C1	ZINC001157323044	779751647	/nfs/dbraw/zinc/75/16/47/779751647.db2.gz	KBGZWXPBOCJDBO-AAEUAGOBSA-N	1	3	322.413	-1.038	20	0		DAADHO
CC(C)C[C@H](N)C(=O)NCC(=O)N(C)C[C@H]1C[NH2+]CCO1	ZINC001157714918	779757479	/nfs/dbraw/zinc/75/74/79/779757479.db2.gz	AHVRQXGJFASLHR-NEPJUHHUSA-N	1	3	300.403	-1.077	20	0		DAADHO
O=C([C@@H]1CNCc2ccnn2C1)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158091371	779766256	/nfs/dbraw/zinc/76/62/56/779766256.db2.gz	BUDUXMROOQBHRA-IAQYHMDHSA-N	1	3	318.381	-1.707	20	0		DAADHO
COC(=O)CC[C@@H](N)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158110793	779766939	/nfs/dbraw/zinc/76/69/39/779766939.db2.gz	ISQWWTGLHPXDJY-MEBBXXQBSA-N	1	3	324.381	-1.795	20	0		DAADHO
C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158100913	779767117	/nfs/dbraw/zinc/76/71/17/779767117.db2.gz	CMROEZWHUCZRSC-ZIBATOQPSA-N	1	3	323.397	-1.985	20	0		DAADHO
N[C@H]1CCCCN(CC(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)C1=O	ZINC001158100688	779767581	/nfs/dbraw/zinc/76/75/81/779767581.db2.gz	AIIDMALXCKDQCZ-NHYWBVRUSA-N	1	3	323.397	-1.983	20	0		DAADHO
NC(C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)C(F)(F)F	ZINC001158121467	779770200	/nfs/dbraw/zinc/77/02/00/779770200.db2.gz	UQLSCOURGORMAE-RDDDGLTNSA-N	1	3	306.288	-1.186	20	0		DAADHO
CN1CCNC[C@H]1C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158277112	779772064	/nfs/dbraw/zinc/77/20/64/779772064.db2.gz	IZOSRARQWYFDBV-LBPRGKRZSA-N	1	3	319.413	-1.397	20	0		DAADHO
C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC[C@H]2[NH2+]C[C@@H]21)C(N)=O	ZINC001158421080	779775200	/nfs/dbraw/zinc/77/52/00/779775200.db2.gz	CBYXRVFSCGPDKS-ZDCRXTMVSA-N	1	3	311.386	-1.953	20	0		DAADHO
C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21)C(N)=O	ZINC001158421078	779775913	/nfs/dbraw/zinc/77/59/13/779775913.db2.gz	CBYXRVFSCGPDKS-MMWGEVLESA-N	1	3	311.386	-1.953	20	0		DAADHO
N[C@@H](CCC[NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1	ZINC001158968459	779783549	/nfs/dbraw/zinc/78/35/49/779783549.db2.gz	QXMCZDDTLNFKDC-XQQFMLRXSA-N	1	3	320.397	-1.041	20	0		DAADHO
CN(C)[C@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1CC1	ZINC001159932750	779798895	/nfs/dbraw/zinc/79/88/95/779798895.db2.gz	USEZGOOJXFVWPK-LBPRGKRZSA-N	1	3	320.459	-1.028	20	0		DAADHO
CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H]1C[NH2+]CC12CNC2	ZINC001160438755	779806281	/nfs/dbraw/zinc/80/62/81/779806281.db2.gz	CDUZGRAISMFYRO-GHMZBOCLSA-N	1	3	324.381	-1.924	20	0		DAADHO
CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H](N)CCC[NH3+]	ZINC001160439240	779807043	/nfs/dbraw/zinc/80/70/43/779807043.db2.gz	ITMQBZXSGXTEOH-NXEZZACHSA-N	1	3	300.359	-1.667	20	0		DAADHO
N[C@H](CCC[NH3+])C(=O)N1CCN(CC(=O)N2CCCC2)CC1	ZINC001160483740	779808382	/nfs/dbraw/zinc/80/83/82/779808382.db2.gz	MWTZNEKPQXMLJD-CYBMUJFWSA-N	1	3	311.430	-1.181	20	0		DAADHO
CS(=O)(=O)CCCN1CCN(C(=O)[C@@H](N)CCC[NH3+])CC1	ZINC001160585810	779810590	/nfs/dbraw/zinc/81/05/90/779810590.db2.gz	SOBAZOPNODGNKW-LBPRGKRZSA-N	1	3	320.459	-1.369	20	0		DAADHO
N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@H]1COC2(CNC2)CN1	ZINC001160539426	779811135	/nfs/dbraw/zinc/81/11/35/779811135.db2.gz	SNDNUPLHMCGXCI-ZYHUDNBSSA-N	1	3	318.381	-1.242	20	0		DAADHO
O=C([C@@H]1C[NH2+]CC12CNC2)N1CCN(c2cccnn2)CC1	ZINC001160570622	779811255	/nfs/dbraw/zinc/81/12/55/779811255.db2.gz	NZAJAYZDXYNSMP-LBPRGKRZSA-N	1	3	302.382	-1.066	20	0		DAADHO
CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1	ZINC001160746276	779816278	/nfs/dbraw/zinc/81/62/78/779816278.db2.gz	FHCMSNBDLNJYJO-OLZOCXBDSA-N	1	3	324.425	-1.061	20	0		DAADHO
O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCN2C(=O)COC[C@@H]2C1	ZINC001160789731	779818115	/nfs/dbraw/zinc/81/81/15/779818115.db2.gz	FDUNYTFQBBTFTA-STQMWFEESA-N	1	3	322.409	-1.070	20	0		DAADHO
O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCN2C(=O)COC[C@@H]2C1	ZINC001160789731	779818120	/nfs/dbraw/zinc/81/81/20/779818120.db2.gz	FDUNYTFQBBTFTA-STQMWFEESA-N	1	3	322.409	-1.070	20	0		DAADHO
O=C(N1CCN2C(=O)COC[C@H]2C1)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001160790391	779818863	/nfs/dbraw/zinc/81/88/63/779818863.db2.gz	OLJAUYTYDKWKDR-LALPHHSUSA-N	1	3	308.382	-1.745	20	0		DAADHO
CN[C@@H](CO)C(=O)N1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1	ZINC001160793715	779820206	/nfs/dbraw/zinc/82/02/06/779820206.db2.gz	FSOYCHAOPBYSQO-TVEHIPJCSA-N	1	3	311.382	-1.576	20	0		DAADHO
COC(=O)[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCN1C	ZINC001160871256	779822102	/nfs/dbraw/zinc/82/21/02/779822102.db2.gz	STOZVNRUFUEPTO-TYNCELHUSA-N	1	3	310.398	-1.499	20	0		DAADHO
[NH3+][C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)CC(F)(F)C1	ZINC001160966775	779822972	/nfs/dbraw/zinc/82/29/72/779822972.db2.gz	BLGCNIJXXLHYHC-DTWKUNHWSA-N	1	3	323.365	-1.042	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1	ZINC001160973512	779823061	/nfs/dbraw/zinc/82/30/61/779823061.db2.gz	VSUIRBJYNGVPQW-RNJXMRFFSA-N	1	3	321.328	-2.111	20	0		DAADHO
NC(=O)NCCC[C@H](N)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1	ZINC001160999602	779825043	/nfs/dbraw/zinc/82/50/43/779825043.db2.gz	IDRCAXDAOGCSOE-QWRGUYRKSA-N	1	3	313.402	-1.522	20	0		DAADHO
N[C@@H](CSCC[NH3+])C(=O)N1CCC2(CNC(=O)N2)CC1	ZINC001161083280	779825951	/nfs/dbraw/zinc/82/59/51/779825951.db2.gz	SGFAYZUANCAETF-VIFPVBQESA-N	1	3	301.416	-1.320	20	0		DAADHO
COC(=O)[C@@]1(N)CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1	ZINC001161138532	779827478	/nfs/dbraw/zinc/82/74/78/779827478.db2.gz	UVBACQYDALKXQF-IAQYHMDHSA-N	1	3	310.398	-1.037	20	0		DAADHO
COC(=O)[C@@]1(N)CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1	ZINC001161138532	779827486	/nfs/dbraw/zinc/82/74/86/779827486.db2.gz	UVBACQYDALKXQF-IAQYHMDHSA-N	1	3	310.398	-1.037	20	0		DAADHO
O=C(N1CCN(c2ncncn2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001161247296	779830575	/nfs/dbraw/zinc/83/05/75/779830575.db2.gz	CBZQTEZQHWJHPM-IUODEOHRSA-N	1	3	317.397	-1.281	20	0		DAADHO
C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@@](F)(C[NH3+])C1)C(N)=O	ZINC001161245049	779830599	/nfs/dbraw/zinc/83/05/99/779830599.db2.gz	BGFUPDHEXPEGEF-IGJMFERPSA-N	1	3	317.365	-2.017	20	0		DAADHO
N[C@@H](CSCC[NH3+])C(=O)N1Cc2ccnn2CC[C@@H]1CO	ZINC001161170446	779831038	/nfs/dbraw/zinc/83/10/38/779831038.db2.gz	FQVUTABHSHVVIT-NEPJUHHUSA-N	1	3	313.427	-1.005	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1	ZINC001161413629	779835589	/nfs/dbraw/zinc/83/55/89/779835589.db2.gz	RBIXVYIKCDVUTJ-DAWVFNFOSA-N	1	3	311.386	-2.111	20	0		DAADHO
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1CNCCN1C)CC2	ZINC001161481415	779841213	/nfs/dbraw/zinc/84/12/13/779841213.db2.gz	SLCBXSWADJFTRE-JMSVASOKSA-N	1	3	310.398	-1.356	20	0		DAADHO
COC(=O)CC[C@H]1COCCN1C(=O)[C@H]1C[NH2+]CC12CNC2	ZINC001161564533	779841982	/nfs/dbraw/zinc/84/19/82/779841982.db2.gz	BUNDRXBWXYHGEX-NWDGAFQWSA-N	1	3	311.382	-1.024	20	0		DAADHO
O=C(NCCC[NH2+][C@H]1CCNC1=O)[C@H]1CN2CC3CC2(C3)CO1	ZINC001162872262	779863485	/nfs/dbraw/zinc/86/34/85/779863485.db2.gz	MHWGDGZNGOYOSF-BWAOXVRWSA-N	1	3	322.409	-1.166	20	0		DAADHO
C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1)C(N)=O	ZINC001162872207	779863648	/nfs/dbraw/zinc/86/36/48/779863648.db2.gz	KMUGQIZGOKEUIF-AKUZOMFGSA-N	1	3	310.398	-1.181	20	0		DAADHO
CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC)N(C)C	ZINC001166858110	779895000	/nfs/dbraw/zinc/89/50/00/779895000.db2.gz	NDFDXPUKUPHMJT-JTQLQIEISA-N	1	3	301.391	-1.122	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCC(=O)NC(N)=O)C2)C1	ZINC001211065746	779966196	/nfs/dbraw/zinc/96/61/96/779966196.db2.gz	ZDLWAZXCYAUUIA-MNOVXSKESA-N	1	3	311.386	-1.286	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCC(=O)NC(N)=O)C2)C1	ZINC001211065746	779966200	/nfs/dbraw/zinc/96/62/00/779966200.db2.gz	ZDLWAZXCYAUUIA-MNOVXSKESA-N	1	3	311.386	-1.286	20	0		DAADHO
CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001216503711	780015172	/nfs/dbraw/zinc/01/51/72/780015172.db2.gz	WLDWAKXIMFHIIE-GHMZBOCLSA-N	1	3	313.402	-1.040	20	0		DAADHO
CS(=O)(=O)N(CC[NH3+])C(=O)CN1CCCC[C@H](N)C1=O	ZINC001219595854	780122318	/nfs/dbraw/zinc/12/23/18/780122318.db2.gz	SZAFZUNGLOJUDC-VIFPVBQESA-N	1	3	306.388	-1.927	20	0		DAADHO
O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1COC2(CNC2)CN1	ZINC001219611134	780123440	/nfs/dbraw/zinc/12/34/40/780123440.db2.gz	WHNOXDZWOSSQPA-KCJUWKMLSA-N	1	3	308.304	-1.273	20	0		DAADHO
O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCS(=O)(=O)C12CNC2	ZINC001219635484	780128190	/nfs/dbraw/zinc/12/81/90/780128190.db2.gz	ITMBRVSLKAQMSP-LPEHRKFASA-N	1	3	305.375	-1.421	20	0		DAADHO
O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCS(=O)(=O)C12CNC2	ZINC001219635483	780129218	/nfs/dbraw/zinc/12/92/18/780129218.db2.gz	ITMBRVSLKAQMSP-GUBZILKMSA-N	1	3	305.375	-1.421	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1	ZINC001219636046	780129343	/nfs/dbraw/zinc/12/93/43/780129343.db2.gz	VKWZSUTVWQIZOG-JBDRJPRFSA-N	1	3	303.338	-2.490	20	0		DAADHO
CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CC2(C[NH2+]C2)CO1	ZINC001219739295	780141330	/nfs/dbraw/zinc/14/13/30/780141330.db2.gz	LCERBRUFQUHFRU-LOWVWBTDSA-N	1	3	312.414	-1.029	20	0		DAADHO
C[S@@](=O)CC[C@H](N)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1	ZINC001219766552	780143906	/nfs/dbraw/zinc/14/39/06/780143906.db2.gz	WAMWREGSGWSGSS-UECADUQKSA-N	1	3	302.444	-1.508	20	0		DAADHO
O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@H]1CCS(=O)(=O)C12CNC2	ZINC001219768304	780146472	/nfs/dbraw/zinc/14/64/72/780146472.db2.gz	LSOAYCZMCBFPRR-ZYHUDNBSSA-N	1	3	319.402	-1.029	20	0		DAADHO
O=C(NC[C@]1(F)CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C12CNC2	ZINC001219768302	780146670	/nfs/dbraw/zinc/14/66/70/780146670.db2.gz	LSOAYCZMCBFPRR-JQWIXIFHSA-N	1	3	319.402	-1.029	20	0		DAADHO
NC(=O)NCCC[C@H](N)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2	ZINC001219800261	780147490	/nfs/dbraw/zinc/14/74/90/780147490.db2.gz	INLNBFJAKXIOKR-MNOVXSKESA-N	1	3	313.402	-1.353	20	0		DAADHO
O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@H]1COC2(CNC2)CN1	ZINC001219799995	780148177	/nfs/dbraw/zinc/14/81/77/780148177.db2.gz	FXKKEQJELPCKFI-VXGBXAGGSA-N	1	3	310.398	-1.798	20	0		DAADHO
NC(=O)NCCC[C@@H](N)C(=O)NCC[C@H]1CCOC12C[NH2+]C2	ZINC001219800263	780148571	/nfs/dbraw/zinc/14/85/71/780148571.db2.gz	INLNBFJAKXIOKR-WDEREUQCSA-N	1	3	313.402	-1.353	20	0		DAADHO
C[S@](=O)CC[C@H](N)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2	ZINC001219801389	780148911	/nfs/dbraw/zinc/14/89/11/780148911.db2.gz	YXRODLZRYFDYHB-NLQQUQSOSA-N	1	3	303.428	-1.033	20	0		DAADHO
C[C@H](NC(=O)[C@@H](N)CO)C(=O)NCc1noc2c1C[NH2+]CC2	ZINC001219811078	780151317	/nfs/dbraw/zinc/15/13/17/780151317.db2.gz	JJZVGQQDIKAXAC-CBAPKCEASA-N	1	3	311.342	-2.239	20	0		DAADHO
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCc1noc2c1CNCC2	ZINC001219811078	780151324	/nfs/dbraw/zinc/15/13/24/780151324.db2.gz	JJZVGQQDIKAXAC-CBAPKCEASA-N	1	3	311.342	-2.239	20	0		DAADHO
C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC[C@]12C[NH2+]C[C@H]1COC2	ZINC001219812761	780152388	/nfs/dbraw/zinc/15/23/88/780152388.db2.gz	IZIJUEWBNUMQSX-ASHKBJFXSA-N	1	3	310.398	-1.323	20	0		DAADHO
C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1	ZINC001219831357	780153504	/nfs/dbraw/zinc/15/35/04/780153504.db2.gz	HPQYPKDSRDYSOH-QWQWKMKNSA-N	1	3	310.398	-1.182	20	0		DAADHO
CC(C)(O)[C@H](N)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219834314	780153553	/nfs/dbraw/zinc/15/35/53/780153553.db2.gz	PKTTUIOLBKENPJ-MISXGVKJSA-N	1	3	301.387	-1.404	20	0		DAADHO
N[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219833348	780153840	/nfs/dbraw/zinc/15/38/40/780153840.db2.gz	CCQDRARTRBEHJU-UXIGCNINSA-N	1	3	323.397	-1.209	20	0		DAADHO
CN1CCNC[C@@H]1C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219837658	780155011	/nfs/dbraw/zinc/15/50/11/780155011.db2.gz	KORGYRHJIVYIIU-NFAWXSAZSA-N	1	3	312.414	-1.599	20	0		DAADHO
CN1CCNC[C@@H]1C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2	ZINC001219837657	780155066	/nfs/dbraw/zinc/15/50/66/780155066.db2.gz	KORGYRHJIVYIIU-GZBFAFLISA-N	1	3	312.414	-1.599	20	0		DAADHO
O=C(C[C@H]1CNCCO1)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219838028	780155434	/nfs/dbraw/zinc/15/54/34/780155434.db2.gz	NUJJMXKLFBOSTJ-YDHLFZDLSA-N	1	3	313.398	-1.124	20	0		DAADHO
C[C@H](N)C(=O)N1[C@H](C(=O)NCC[NH2+]CCO)COC1(C)C	ZINC001219919151	780162432	/nfs/dbraw/zinc/16/24/32/780162432.db2.gz	ZBVADXUHEVDMOJ-UWVGGRQHSA-N	1	3	302.375	-2.005	20	0		DAADHO
N[C@@H](CSCC[NH3+])C(=O)NCCNC(=O)c1ccncc1	ZINC001219938765	780164780	/nfs/dbraw/zinc/16/47/80/780164780.db2.gz	CXXJSAPIZWYYET-NSHDSACASA-N	1	3	311.411	-1.053	20	0		DAADHO
CS(=O)(=O)N(C(=O)[C@@H]1CNCCN1)c1ccc(C[NH3+])cc1	ZINC001219938735	780164865	/nfs/dbraw/zinc/16/48/65/780164865.db2.gz	BQZUHSXSSOYZMI-LBPRGKRZSA-N	1	3	312.395	-1.001	20	0		DAADHO
CNS(=O)(=O)CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1	ZINC001219961463	780167538	/nfs/dbraw/zinc/16/75/38/780167538.db2.gz	MEISKTVPYXDUKS-SNVBAGLBSA-N	1	3	304.416	-1.474	20	0		DAADHO
CNS(=O)(=O)CCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1	ZINC001219961463	780167544	/nfs/dbraw/zinc/16/75/44/780167544.db2.gz	MEISKTVPYXDUKS-SNVBAGLBSA-N	1	3	304.416	-1.474	20	0		DAADHO
COC(=O)C1(NC(=O)[C@@H]2COC3(CNC3)CN2)CC[NH2+]CC1	ZINC001219999552	780169211	/nfs/dbraw/zinc/16/92/11/780169211.db2.gz	XDOMMJSYKXNXCG-JTQLQIEISA-N	1	3	312.370	-2.272	20	0		DAADHO
C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O	ZINC001220118093	780180549	/nfs/dbraw/zinc/18/05/49/780180549.db2.gz	SFPMXPVICXOMBN-MLGHIDQZSA-N	1	3	303.403	-1.736	20	0		DAADHO
COC[C@@H](O)CN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1	ZINC001220137909	780185195	/nfs/dbraw/zinc/18/51/95/780185195.db2.gz	LOUREXUBPIMHJN-LOWDOPEQSA-N	1	3	301.387	-1.751	20	0		DAADHO
COC[C@@H](O)CN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1	ZINC001220137909	780185200	/nfs/dbraw/zinc/18/52/00/780185200.db2.gz	LOUREXUBPIMHJN-LOWDOPEQSA-N	1	3	301.387	-1.751	20	0		DAADHO
O=C(N[C@@H]1COCCC12OCCO2)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001220172837	780187548	/nfs/dbraw/zinc/18/75/48/780187548.db2.gz	CECZSZQGWFFCHB-YRGRVCCFSA-N	1	3	311.382	-1.166	20	0		DAADHO
NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+]	ZINC001220274659	780198377	/nfs/dbraw/zinc/19/83/77/780198377.db2.gz	MUHBILKIVHQPEX-QWRGUYRKSA-N	1	3	313.402	-1.575	20	0		DAADHO
CN(C)S(=O)(=O)CCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001220268444	780198760	/nfs/dbraw/zinc/19/87/60/780198760.db2.gz	JCTAVXQJBSAWAK-ZYHUDNBSSA-N	1	3	304.416	-1.807	20	0		DAADHO
N[C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H](CO)Cc1c[nH]cn1	ZINC001220292071	780200498	/nfs/dbraw/zinc/20/04/98/780200498.db2.gz	ZMWSWWHUZAQGAW-OLZOCXBDSA-N	1	3	310.402	-1.820	20	0		DAADHO
N[C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H](CO)Cc1cnc[nH]1	ZINC001220292071	780200506	/nfs/dbraw/zinc/20/05/06/780200506.db2.gz	ZMWSWWHUZAQGAW-OLZOCXBDSA-N	1	3	310.402	-1.820	20	0		DAADHO
NC(=O)NCCC[C@H](N)C(=O)NCc1ncn2c1C[NH2+]CCC2	ZINC001220310438	780201255	/nfs/dbraw/zinc/20/12/55/780201255.db2.gz	AOLJRVAWRVCHBT-JTQLQIEISA-N	1	3	323.401	-1.232	20	0		DAADHO
NC(=O)NCCC[C@@H](N)C(=O)NCc1ncn2c1C[NH2+]CCC2	ZINC001220310439	780201331	/nfs/dbraw/zinc/20/13/31/780201331.db2.gz	AOLJRVAWRVCHBT-SNVBAGLBSA-N	1	3	323.401	-1.232	20	0		DAADHO
CC(C)[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C(=O)N1CCOCC1	ZINC001220453480	780216389	/nfs/dbraw/zinc/21/63/89/780216389.db2.gz	DMPUVEIUJCFNIP-STQMWFEESA-N	1	3	324.425	-1.205	20	0		DAADHO
[NH3+]CCOCCOCCNC(=O)[C@@H]1CNCc2ccnn2C1	ZINC001220517473	780221117	/nfs/dbraw/zinc/22/11/17/780221117.db2.gz	MYCKWJXTPWUOIW-GFCCVEGCSA-N	1	3	311.386	-1.289	20	0		DAADHO
C[C@H](N)C(=O)N1[C@H](C(=O)NCCN(C)CC[NH3+])COC1(C)C	ZINC001220517499	780221243	/nfs/dbraw/zinc/22/12/43/780221243.db2.gz	ODYBZUDNPNXPEJ-QWRGUYRKSA-N	1	3	315.418	-1.696	20	0		DAADHO
C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCCOCCOCC[NH3+]	ZINC001220519702	780222390	/nfs/dbraw/zinc/22/23/90/780222390.db2.gz	YMDVQKAOEDLNJO-RYUDHWBXSA-N	1	3	316.402	-1.567	20	0		DAADHO
CCOC(=O)C1=C(NC(=O)/C=C/C(=O)NCC[NH3+])CCNC1	ZINC001220521799	780222443	/nfs/dbraw/zinc/22/24/43/780222443.db2.gz	PFSXMAAIIMKQRA-ONEGZZNKSA-N	1	3	310.354	-1.456	20	0		DAADHO
N[C@H]1CCCCN(CC(=O)NCCOCCOCC[NH3+])C1=O	ZINC001220519687	780223475	/nfs/dbraw/zinc/22/34/75/780223475.db2.gz	YCWFUWGYIXFEMJ-LBPRGKRZSA-N	1	3	316.402	-1.566	20	0		DAADHO
CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1COC2(CNC2)CN1	ZINC001220582987	780229802	/nfs/dbraw/zinc/22/98/02/780229802.db2.gz	AUBHKQSQKVQEJD-JTQLQIEISA-N	1	3	300.359	-2.333	20	0		DAADHO
O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@@H]1COC2(CNC2)CN1	ZINC001220800020	780248711	/nfs/dbraw/zinc/24/87/11/780248711.db2.gz	KIVHLRRHSXRTJY-BBBLOLIVSA-N	1	3	322.331	-1.027	20	0		DAADHO
CCOC(=O)C1=C(NC(=O)[C@@H](N)Cc2cncn2C)C[NH2+]C1	ZINC001220826021	780251034	/nfs/dbraw/zinc/25/10/34/780251034.db2.gz	XXJJEXNGRKFBDS-NSHDSACASA-N	1	3	307.354	-1.174	20	0		DAADHO
CS(=O)(=O)N1CCC(CNC(=O)[C@@H](N)CCC[NH3+])CC1	ZINC001220923186	780258308	/nfs/dbraw/zinc/25/83/08/780258308.db2.gz	BAQHAVPISMZCSB-NSHDSACASA-N	1	3	306.432	-1.160	20	0		DAADHO
CS(=O)(=O)N1CCC(CNC(=O)[C@H](N)CCC[NH3+])CC1	ZINC001220923185	780258798	/nfs/dbraw/zinc/25/87/98/780258798.db2.gz	BAQHAVPISMZCSB-LLVKDONJSA-N	1	3	306.432	-1.160	20	0		DAADHO
CC(C)C[C@H](N)C(=O)NCC(=O)NCCO[C@@H]1CC[NH2+]C1	ZINC001220936174	780260051	/nfs/dbraw/zinc/26/00/51/780260051.db2.gz	DBNFNRZWHIVCQJ-NEPJUHHUSA-N	1	3	300.403	-1.029	20	0		DAADHO
C[C@H](N)C(=O)N1[C@H](C(=O)n2cc(C[NH3+])cnc2=N)COC1(C)C	ZINC001220950641	780263146	/nfs/dbraw/zinc/26/31/46/780263146.db2.gz	ATXIKCKRNBFXFQ-WPRPVWTQSA-N	1	3	322.369	-1.228	20	0		DAADHO
O=C(CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)NCC(F)(F)F	ZINC001221278191	780288552	/nfs/dbraw/zinc/28/85/52/780288552.db2.gz	JWNURGNYWVUBPO-LDYMZIIASA-N	1	3	308.304	-1.020	20	0		DAADHO
C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H]1C[NH2+]CC[C@H]1F)C(N)=O	ZINC001221367597	780292739	/nfs/dbraw/zinc/29/27/39/780292739.db2.gz	RIPKWRGYNLTKJV-SGIHWFKDSA-N	1	3	317.365	-2.100	20	0		DAADHO
O=C1C[C@H]2[NH2+]CC[C@@]2([N-]S(=O)(=O)CC2CC[NH2+]CC2)N1	ZINC001238334580	780436639	/nfs/dbraw/zinc/43/66/39/780436639.db2.gz	YYHQLIAVISBRPP-PWSUYJOCSA-N	1	3	302.400	-1.517	20	0		DAADHO
NCCS(=O)(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1	ZINC001238916398	780439727	/nfs/dbraw/zinc/43/97/27/780439727.db2.gz	DVSZBVRTSIRWOP-NSHDSACASA-N	1	3	306.432	-1.016	20	0		DAADHO
COC(=O)[C@@H]([N-]S(=O)(=O)C1CC[NH2+]CC1)[C@H]1CC[NH2+]C1	ZINC001238898263	780439761	/nfs/dbraw/zinc/43/97/61/780439761.db2.gz	PQTCJNQJGFDUHM-ONGXEEELSA-N	1	3	305.400	-1.191	20	0		DAADHO
O=S(=O)(C1CC[NH2+]CC1)N1CCOC[C@]2(CNCCO2)C1	ZINC001239000952	780441237	/nfs/dbraw/zinc/44/12/37/780441237.db2.gz	PQTRFFMJLFXQGK-ZDUSSCGKSA-N	1	3	319.427	-1.241	20	0		DAADHO
COCCN1CCO[C@@H]2CN(S(=O)(=O)CC[NH3+])CC[C@@H]2C1	ZINC001239082276	780442369	/nfs/dbraw/zinc/44/23/69/780442369.db2.gz	RDJLDXCIMZNRJY-CHWSQXEVSA-N	1	3	321.443	-1.056	20	0		DAADHO
[NH3+]CCN(CC[NH3+])S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC001239097399	780442648	/nfs/dbraw/zinc/44/26/48/780442648.db2.gz	SIUSGDVVOWLVPI-UHFFFAOYSA-N	1	3	311.371	-1.225	20	0		DAADHO
[NH3+]CCN(CC[NH3+])S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC001239097399	780442652	/nfs/dbraw/zinc/44/26/52/780442652.db2.gz	SIUSGDVVOWLVPI-UHFFFAOYSA-N	1	3	311.371	-1.225	20	0		DAADHO
CCOC(=O)[C@]12CN(S(=O)(=O)CCN)C[C@H]1C[NH2+]CC2	ZINC001239110632	780443394	/nfs/dbraw/zinc/44/33/94/780443394.db2.gz	HFRXFAYHSKEQFC-ZYHUDNBSSA-N	1	3	305.400	-1.251	20	0		DAADHO
COC(=O)[C@@H]1C[C@@H](NC[C@@H](O)CC2(O)CC[NH2+]CC2)CN1	ZINC001245981895	780448412	/nfs/dbraw/zinc/44/84/12/780448412.db2.gz	CXHSBMJLTOUJNX-WOPDTQHZSA-N	1	3	301.387	-1.655	20	0		DAADHO
CNC(=O)[C@H](CCCC[NH3+])NC[C@H](O)CN1CCOCC1	ZINC001246020289	780448444	/nfs/dbraw/zinc/44/84/44/780448444.db2.gz	NTNCPNMAMGSVTO-STQMWFEESA-N	1	3	302.419	-1.487	20	0		DAADHO
COC(=O)C1C[C@@H]2CC(N3CCN[C@@H](C(N)=O)C3)C[C@H](C1)[NH2+]2	ZINC001246797206	780457042	/nfs/dbraw/zinc/45/70/42/780457042.db2.gz	NAKQNSAIAUWYEU-APSDNXJZSA-N	1	3	310.398	-1.182	20	0		DAADHO
O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1C[NH2+]CC[C@H]1F)O3	ZINC001247007138	780458121	/nfs/dbraw/zinc/45/81/21/780458121.db2.gz	BNGIAVCDENVABY-GCHJQGSQSA-N	1	3	305.375	-1.169	20	0		DAADHO
O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1C[C@@H]1C[NH2+]CCCO1)O3	ZINC001247008264	780458532	/nfs/dbraw/zinc/45/85/32/780458532.db2.gz	FZAZODCGSCGSJT-VOAKCMCISA-N	1	3	317.411	-1.490	20	0		DAADHO
O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1COC2(C[NH2+]C2)C1)O3	ZINC001247013755	780459251	/nfs/dbraw/zinc/45/92/51/780459251.db2.gz	XWDKGZNTKZYYDS-DCQANWLSSA-N	1	3	315.395	-1.738	20	0		DAADHO
CN(C[C@H](O)CN[C@H]1CCC(=O)NC1=O)C(=O)CC[NH+](C)C	ZINC001278804971	780490530	/nfs/dbraw/zinc/49/05/30/780490530.db2.gz	VKXWRXRUMXHINR-MNOVXSKESA-N	1	3	314.386	-1.848	20	0		DAADHO
NC(=O)CNC(=O)CNC(=O)C[NH2+]C1CCN(C2CC2)CC1	ZINC001256074346	780506315	/nfs/dbraw/zinc/50/63/15/780506315.db2.gz	TWMSESCKLUZNRU-UHFFFAOYSA-N	1	3	311.386	-2.080	20	0		DAADHO
CN(CCC[NH+](C)C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1	ZINC001261636190	780551993	/nfs/dbraw/zinc/55/19/93/780551993.db2.gz	BAUUZIBCRPFEEM-UHFFFAOYSA-N	1	3	324.385	-1.333	20	0		DAADHO
C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1	ZINC001261821770	780560175	/nfs/dbraw/zinc/56/01/75/780560175.db2.gz	JVXOPJOZXBYXQM-STQMWFEESA-N	1	3	313.446	-1.208	20	0		DAADHO
[NH3+]C1(CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1	ZINC001262547667	780574725	/nfs/dbraw/zinc/57/47/25/780574725.db2.gz	AMCZQIAYRBBZCJ-LBPRGKRZSA-N	1	3	310.398	-1.037	20	0		DAADHO
C[NH+](C)CCOCC(=O)NCCNCC(=O)N1CCOCC1	ZINC001147842375	781458639	/nfs/dbraw/zinc/45/86/39/781458639.db2.gz	VIGLAZDNPZVLSG-UHFFFAOYSA-N	1	3	316.402	-1.871	20	0		DAADHO
CCOCCNC(=O)CNCCNC(=O)COCC[NH+](C)C	ZINC001147842295	781458804	/nfs/dbraw/zinc/45/88/04/781458804.db2.gz	QBPGWOBIGAVBLP-UHFFFAOYSA-N	1	3	318.418	-1.577	20	0		DAADHO
CN(CCNCCNC(=O)C[C@@H]1CC[N@H+](C)C1)S(C)(=O)=O	ZINC001147885975	781458865	/nfs/dbraw/zinc/45/88/65/781458865.db2.gz	QSHINVUGZQPJNO-LBPRGKRZSA-N	1	3	320.459	-1.075	20	0		DAADHO
CN(CCNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)S(C)(=O)=O	ZINC001147885975	781458866	/nfs/dbraw/zinc/45/88/66/781458866.db2.gz	QSHINVUGZQPJNO-LBPRGKRZSA-N	1	3	320.459	-1.075	20	0		DAADHO
C[C@H](NCCNC(=O)COCC[NH+](C)C)C(=O)NC1CC1	ZINC001147891933	781459065	/nfs/dbraw/zinc/45/90/65/781459065.db2.gz	FJJCRZQNOJDQGQ-NSHDSACASA-N	1	3	300.403	-1.063	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001147877424	781461422	/nfs/dbraw/zinc/46/14/22/781461422.db2.gz	JUPYFNXALQOKKN-NSHDSACASA-N	1	3	313.402	-1.120	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001147877424	781461429	/nfs/dbraw/zinc/46/14/29/781461429.db2.gz	JUPYFNXALQOKKN-NSHDSACASA-N	1	3	313.402	-1.120	20	0		DAADHO
CCOCCNC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2	ZINC001147970219	781461614	/nfs/dbraw/zinc/46/16/14/781461614.db2.gz	BVCZDECXDFWUJS-UHFFFAOYSA-N	1	3	312.414	-1.059	20	0		DAADHO
O=C(CNCCNC(=O)C12CC[NH+](CC1)C2)NC[C@H]1CCOC1	ZINC001147994643	781462496	/nfs/dbraw/zinc/46/24/96/781462496.db2.gz	MYPVQFXRLGYSRW-CYBMUJFWSA-N	1	3	324.425	-1.059	20	0		DAADHO
C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CN1CCCC1	ZINC001180131415	781666132	/nfs/dbraw/zinc/66/61/32/781666132.db2.gz	CLEKOINONCXFEZ-QWRGUYRKSA-N	1	3	311.386	-1.144	20	0		DAADHO
CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H](CCO)NC(C)=O	ZINC001182144982	781701068	/nfs/dbraw/zinc/70/10/68/781701068.db2.gz	AGFXMTWQOINBJW-NSHDSACASA-N	1	3	301.391	-1.063	20	0		DAADHO
CN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001183647779	781729084	/nfs/dbraw/zinc/72/90/84/781729084.db2.gz	LBNGPWBBCVNUIB-GHMZBOCLSA-N	1	3	311.386	-1.144	20	0		DAADHO
CNC(=O)CN[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC001186235053	781774694	/nfs/dbraw/zinc/77/46/94/781774694.db2.gz	PQXVDTSRPDPICR-CYBMUJFWSA-N	1	3	322.413	-1.005	20	0		DAADHO
C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)C1	ZINC001187083346	781795433	/nfs/dbraw/zinc/79/54/33/781795433.db2.gz	FJKARKLRTPEILX-GHMZBOCLSA-N	1	3	311.386	-1.286	20	0		DAADHO
C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)C1	ZINC001187083346	781795440	/nfs/dbraw/zinc/79/54/40/781795440.db2.gz	FJKARKLRTPEILX-GHMZBOCLSA-N	1	3	311.386	-1.286	20	0		DAADHO
C[C@H](N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O	ZINC001187127025	781796203	/nfs/dbraw/zinc/79/62/03/781796203.db2.gz	RWQQWUSJADPUNC-WDEREUQCSA-N	1	3	323.397	-1.144	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1	ZINC001187824963	781807130	/nfs/dbraw/zinc/80/71/30/781807130.db2.gz	DOKOSAWHRKLWMM-GHMZBOCLSA-N	1	3	311.386	-1.416	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1	ZINC001187824963	781807140	/nfs/dbraw/zinc/80/71/40/781807140.db2.gz	DOKOSAWHRKLWMM-GHMZBOCLSA-N	1	3	311.386	-1.416	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCCNS(C)(=O)=O)C2)C1	ZINC001187824895	781807866	/nfs/dbraw/zinc/80/78/66/781807866.db2.gz	BRFPJQAHDDJROY-NWDGAFQWSA-N	1	3	318.443	-1.322	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCCNS(C)(=O)=O)C2)C1	ZINC001187824895	781807875	/nfs/dbraw/zinc/80/78/75/781807875.db2.gz	BRFPJQAHDDJROY-NWDGAFQWSA-N	1	3	318.443	-1.322	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1	ZINC001188145889	781816933	/nfs/dbraw/zinc/81/69/33/781816933.db2.gz	PMTKAKGAHFIHRE-LLVKDONJSA-N	1	3	313.402	-1.027	20	0		DAADHO
CC[NH+](CC)CCN(C(=N)N)C(=O)c1cc(=O)n(C)c(=O)n1C	ZINC001189442198	781842098	/nfs/dbraw/zinc/84/20/98/781842098.db2.gz	IJNOEGBUGFQXHZ-UHFFFAOYSA-N	1	3	324.385	-1.239	20	0		DAADHO
Cc1[nH]cnc1CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O	ZINC001174691426	916149797	/nfs/dbraw/zinc/14/97/97/916149797.db2.gz	LQEVZZGSGCUXSD-UHFFFAOYSA-N	1	3	322.369	-1.092	20	0		DAADHO
CCNC(=O)CNCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001326146378	916901366	/nfs/dbraw/zinc/90/13/66/916901366.db2.gz	KSFFULHYJRKJSO-LBPRGKRZSA-N	1	3	300.403	-1.515	20	0		DAADHO
CCNC(=O)CNCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001326146378	916901377	/nfs/dbraw/zinc/90/13/77/916901377.db2.gz	KSFFULHYJRKJSO-LBPRGKRZSA-N	1	3	300.403	-1.515	20	0		DAADHO
CN(CCC[NH3+])C(=O)C(=O)N(C)CCCN1CCN(C)CC1	ZINC001327584395	917027359	/nfs/dbraw/zinc/02/73/59/917027359.db2.gz	PLBSUJAVGZAOSP-UHFFFAOYSA-N	1	3	313.446	-1.111	20	0		DAADHO
CN1CCN(CCCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1	ZINC001328593532	917098815	/nfs/dbraw/zinc/09/88/15/917098815.db2.gz	KUMFRKDRWKTUBR-ZDUSSCGKSA-N	1	3	311.430	-1.392	20	0		DAADHO
COCCNCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC001329680173	917188818	/nfs/dbraw/zinc/18/88/18/917188818.db2.gz	VNNFVVBPGLBPIZ-UTUOFQBUSA-N	1	3	312.370	-1.384	20	0		DAADHO
CN1C(=O)[C@H]2C[N@H+](C[C@@H]3CCCN(C(=O)CN)C3)C[C@H]2C1=O	ZINC001329744334	917197315	/nfs/dbraw/zinc/19/73/15/917197315.db2.gz	XVYOUMJOSCIAEU-SDDRHHMPSA-N	1	3	308.382	-1.270	20	0		DAADHO
CN1C(=O)[C@H]2C[N@@H+](C[C@@H]3CCCN(C(=O)CN)C3)C[C@H]2C1=O	ZINC001329744334	917197329	/nfs/dbraw/zinc/19/73/29/917197329.db2.gz	XVYOUMJOSCIAEU-SDDRHHMPSA-N	1	3	308.382	-1.270	20	0		DAADHO
CN(C[C@@H](O)CNCCS(C)(=O)=O)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001332603161	917392304	/nfs/dbraw/zinc/39/23/04/917392304.db2.gz	VFUWMBHNOCWXCM-NEPJUHHUSA-N	1	3	321.443	-1.608	20	0		DAADHO
CN(C[C@@H](O)CNCCS(C)(=O)=O)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001332603161	917392321	/nfs/dbraw/zinc/39/23/21/917392321.db2.gz	VFUWMBHNOCWXCM-NEPJUHHUSA-N	1	3	321.443	-1.608	20	0		DAADHO
[NH3+][C@@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1	ZINC001333566740	917450910	/nfs/dbraw/zinc/45/09/10/917450910.db2.gz	OCBIDLDKFUZHJR-DGCLKSJQSA-N	1	3	310.398	-1.085	20	0		DAADHO
C[C@@H](NC(=O)C(=O)N1CCNCCNCC1)C1=CC[N@H+](C)CC1	ZINC001335187606	917530059	/nfs/dbraw/zinc/53/00/59/917530059.db2.gz	NJWKJYOXKZZFLJ-CYBMUJFWSA-N	1	3	323.441	-1.226	20	0		DAADHO
C[C@@H](NC(=O)C(=O)N1CCNCCNCC1)C1=CC[N@@H+](C)CC1	ZINC001335187606	917530065	/nfs/dbraw/zinc/53/00/65/917530065.db2.gz	NJWKJYOXKZZFLJ-CYBMUJFWSA-N	1	3	323.441	-1.226	20	0		DAADHO
CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[C@@H](O)C[NH3+]	ZINC001340076413	917726880	/nfs/dbraw/zinc/72/68/80/917726880.db2.gz	ZCOBOECJKXFNBZ-VXGBXAGGSA-N	1	3	300.403	-1.245	20	0		DAADHO
CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@@H](O)C[NH3+]	ZINC001340076410	917727515	/nfs/dbraw/zinc/72/75/15/917727515.db2.gz	ZCOBOECJKXFNBZ-NEPJUHHUSA-N	1	3	300.403	-1.245	20	0		DAADHO
CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@H](O)C[NH3+]	ZINC001340076412	917728083	/nfs/dbraw/zinc/72/80/83/917728083.db2.gz	ZCOBOECJKXFNBZ-RYUDHWBXSA-N	1	3	300.403	-1.245	20	0		DAADHO
CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[C@H](O)C[NH3+]	ZINC001340076411	917728181	/nfs/dbraw/zinc/72/81/81/917728181.db2.gz	ZCOBOECJKXFNBZ-NWDGAFQWSA-N	1	3	300.403	-1.245	20	0		DAADHO
CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(C)CCN(C)CC1	ZINC001341511880	917761269	/nfs/dbraw/zinc/76/12/69/917761269.db2.gz	LTRQHZJPSAVIKY-AWEZNQCLSA-N	1	3	313.446	-1.208	20	0		DAADHO
CN1CCNC[C@@H]1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC001343487836	917810813	/nfs/dbraw/zinc/81/08/13/917810813.db2.gz	SLDHZOSYRZLPCV-MNOVXSKESA-N	1	3	323.363	-1.158	20	0		DAADHO
C[C@H](CN1CCN(C)CC1)[NH2+]C[C@H](O)CN1CCN(C)CC1	ZINC001348957465	917985025	/nfs/dbraw/zinc/98/50/25/917985025.db2.gz	GYKKRXVVQDHGCD-CVEARBPZSA-N	1	3	313.490	-1.180	20	0		DAADHO
C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CNCCO2)cn1	ZINC001349625206	918028209	/nfs/dbraw/zinc/02/82/09/918028209.db2.gz	UFLNFACOVXNLKW-GFCCVEGCSA-N	1	3	324.385	-1.512	20	0		DAADHO
C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1	ZINC001350042000	918046556	/nfs/dbraw/zinc/04/65/56/918046556.db2.gz	NYUXZAZPTOLANZ-GFCCVEGCSA-N	1	3	311.430	-1.312	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)NC[C@H](NCC(=O)NC(N)=O)C2CC2)C1	ZINC001366075204	919277307	/nfs/dbraw/zinc/27/73/07/919277307.db2.gz	FWLXLCVMFIBBSP-QWRGUYRKSA-N	1	3	311.386	-1.383	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)NC[C@H](NCC(=O)NC(N)=O)C2CC2)C1	ZINC001366075204	919277317	/nfs/dbraw/zinc/27/73/17/919277317.db2.gz	FWLXLCVMFIBBSP-QWRGUYRKSA-N	1	3	311.386	-1.383	20	0		DAADHO
C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(=O)NC(N)=O	ZINC001366095470	919280553	/nfs/dbraw/zinc/28/05/53/919280553.db2.gz	ZARRJSQVYOIHSW-GARJFASQSA-N	1	3	311.386	-1.146	20	0		DAADHO
C[NH+](C)CC1(C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)CC1	ZINC001366387011	919323639	/nfs/dbraw/zinc/32/36/39/919323639.db2.gz	ZQQFAIXANINPBY-JTQLQIEISA-N	1	3	311.386	-1.286	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C	ZINC001366765112	919376655	/nfs/dbraw/zinc/37/66/55/919376655.db2.gz	RXZOFUMQVGYLFX-MNOVXSKESA-N	1	3	313.402	-1.027	20	0		DAADHO
CC(C)NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001367585158	919494284	/nfs/dbraw/zinc/49/42/84/919494284.db2.gz	FNHOMSYWWJBNHJ-FRRDWIJNSA-N	1	3	314.430	-1.082	20	0		DAADHO
CC(C)NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001367585158	919494299	/nfs/dbraw/zinc/49/42/99/919494299.db2.gz	FNHOMSYWWJBNHJ-FRRDWIJNSA-N	1	3	314.430	-1.082	20	0		DAADHO
C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)CC[N@@H+]1C	ZINC001367586330	919497593	/nfs/dbraw/zinc/49/75/93/919497593.db2.gz	GUPSXHAFMPONJL-KGYLQXTDSA-N	1	3	312.414	-1.328	20	0		DAADHO
C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)CC[N@H+]1C	ZINC001367586330	919497606	/nfs/dbraw/zinc/49/76/06/919497606.db2.gz	GUPSXHAFMPONJL-KGYLQXTDSA-N	1	3	312.414	-1.328	20	0		DAADHO
C[C@@H](NC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C	ZINC001367621365	919534535	/nfs/dbraw/zinc/53/45/35/919534535.db2.gz	KNRWUUBUQYRJND-VXGBXAGGSA-N	1	3	312.414	-1.374	20	0		DAADHO
C[C@H](NC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C	ZINC001367621348	919535064	/nfs/dbraw/zinc/53/50/64/919535064.db2.gz	KNRWUUBUQYRJND-NWDGAFQWSA-N	1	3	312.414	-1.374	20	0		DAADHO
CN(C)C(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001367628043	919540333	/nfs/dbraw/zinc/54/03/33/919540333.db2.gz	WMNPFVRQZCUZNY-NWDGAFQWSA-N	1	3	300.403	-1.517	20	0		DAADHO
CN(C)C(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001367628043	919540347	/nfs/dbraw/zinc/54/03/47/919540347.db2.gz	WMNPFVRQZCUZNY-NWDGAFQWSA-N	1	3	300.403	-1.517	20	0		DAADHO
CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1)N(C)C	ZINC001367626069	919541748	/nfs/dbraw/zinc/54/17/48/919541748.db2.gz	UALSGDIZRCUTNX-VXGBXAGGSA-N	1	3	300.403	-1.374	20	0		DAADHO
C[NH+](C)CCC(=O)NC[C@]1(O)CCN(CCn2cncn2)C1	ZINC001368254018	919640320	/nfs/dbraw/zinc/64/03/20/919640320.db2.gz	ABOASTMMAZMZEN-CQSZACIVSA-N	1	3	310.402	-1.217	20	0		DAADHO
C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(CCn2cncn2)C1	ZINC001368254014	919641656	/nfs/dbraw/zinc/64/16/56/919641656.db2.gz	ABOASTMMAZMZEN-AWEZNQCLSA-N	1	3	310.402	-1.217	20	0		DAADHO
CN1CCC[C@@H]1C(=O)NCCN1CCC([NH2+]CC(N)=O)CC1	ZINC001368362483	919701858	/nfs/dbraw/zinc/70/18/58/919701858.db2.gz	YBTWLPDRGVVBNH-CYBMUJFWSA-N	1	3	311.430	-1.264	20	0		DAADHO
CNC(=O)[C@@H](C)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2	ZINC001368415151	919718510	/nfs/dbraw/zinc/71/85/10/919718510.db2.gz	UEBGGBUJRFYJJY-GFCCVEGCSA-N	1	3	312.414	-1.373	20	0		DAADHO
O=C(N(CCO)CCN[C@@H]1CCNC1=O)C12CC[NH+](CC1)C2	ZINC001368412501	919719110	/nfs/dbraw/zinc/71/91/10/919719110.db2.gz	RGLCSYZBDGEHTG-GFCCVEGCSA-N	1	3	310.398	-1.619	20	0		DAADHO
CC(C)N(C)CC(=O)N(CCO)CC[NH2+][C@H]1CCN(C)C1=O	ZINC001368415405	919719957	/nfs/dbraw/zinc/71/99/57/919719957.db2.gz	UITOLZZHDCIDTF-ZDUSSCGKSA-N	1	3	314.430	-1.032	20	0		DAADHO
C[C@@H]([NH2+]CC1(O)CCN(C(=O)CN2CCCC2)CC1)C(N)=O	ZINC001368689460	919762081	/nfs/dbraw/zinc/76/20/81/919762081.db2.gz	RAOSBFYIPFDIMS-GFCCVEGCSA-N	1	3	312.414	-1.101	20	0		DAADHO
C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1	ZINC001369147621	919822597	/nfs/dbraw/zinc/82/25/97/919822597.db2.gz	BUFNOUQZZQNSKJ-NEPJUHHUSA-N	1	3	310.398	-1.227	20	0		DAADHO
C[C@@H](NC[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1)C(N)=O	ZINC001369478686	919953678	/nfs/dbraw/zinc/95/36/78/919953678.db2.gz	AQOHCHBTQJJAHU-ZYHUDNBSSA-N	1	3	300.403	-1.389	20	0		DAADHO
CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)CCC[NH+](C)C	ZINC001369483794	919958781	/nfs/dbraw/zinc/95/87/81/919958781.db2.gz	MGYKXMNFKDDXCN-NWDGAFQWSA-N	1	3	300.403	-1.374	20	0		DAADHO
CCNC(=O)CNC[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001369489466	919960651	/nfs/dbraw/zinc/96/06/51/919960651.db2.gz	VSQKKDCOBKJDIU-CYBMUJFWSA-N	1	3	314.430	-1.127	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1	ZINC001370399032	920055920	/nfs/dbraw/zinc/05/59/20/920055920.db2.gz	YSRCQTCBJQAWLY-QWRGUYRKSA-N	1	3	313.402	-1.027	20	0		DAADHO
NC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1	ZINC001371626110	920292244	/nfs/dbraw/zinc/29/22/44/920292244.db2.gz	XRKQGYAVWBDMNE-LLVKDONJSA-N	1	3	311.386	-1.285	20	0		DAADHO
C[C@H](NCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)NC(N)=O	ZINC001372942579	920440168	/nfs/dbraw/zinc/44/01/68/920440168.db2.gz	FXIHHHZLXAZILA-QWRGUYRKSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@H](NCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)C(=O)NC(N)=O	ZINC001372942579	920440172	/nfs/dbraw/zinc/44/01/72/920440172.db2.gz	FXIHHHZLXAZILA-QWRGUYRKSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CC(=O)NC(N)=O	ZINC001374070054	920578943	/nfs/dbraw/zinc/57/89/43/920578943.db2.gz	CWJGSVVWGHPCCU-MNOVXSKESA-N	1	3	313.402	-1.135	20	0		DAADHO
C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CC(=O)NC(N)=O	ZINC001374070050	920579747	/nfs/dbraw/zinc/57/97/47/920579747.db2.gz	CWJGSVVWGHPCCU-GHMZBOCLSA-N	1	3	313.402	-1.135	20	0		DAADHO
C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CC(=O)NC(N)=O	ZINC001374070062	920580140	/nfs/dbraw/zinc/58/01/40/920580140.db2.gz	CWJGSVVWGHPCCU-WDEREUQCSA-N	1	3	313.402	-1.135	20	0		DAADHO
CC(C)[C@@H](C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O)[NH+](C)C	ZINC001374613833	920647900	/nfs/dbraw/zinc/64/79/00/920647900.db2.gz	DDQNUPREDJWTGY-ONGXEEELSA-N	1	3	317.390	-2.166	20	0		DAADHO
CC[N@H+](C)CCC(=O)N[C@H](C)CNCC(=O)NC(=O)NC	ZINC001374827078	920716603	/nfs/dbraw/zinc/71/66/03/920716603.db2.gz	GRZPXJXVPBPRSZ-SNVBAGLBSA-N	1	3	301.391	-1.122	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N[C@H](C)CNCC(=O)NC(=O)NC	ZINC001374827078	920716614	/nfs/dbraw/zinc/71/66/14/920716614.db2.gz	GRZPXJXVPBPRSZ-SNVBAGLBSA-N	1	3	301.391	-1.122	20	0		DAADHO
C[C@H](CNCC(=O)N1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001374842411	920717259	/nfs/dbraw/zinc/71/72/59/920717259.db2.gz	LRYYDFQJLHDIMV-CHWSQXEVSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[C@H](CNCC(=O)N1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001374842411	920717268	/nfs/dbraw/zinc/71/72/68/920717268.db2.gz	LRYYDFQJLHDIMV-CHWSQXEVSA-N	1	3	312.414	-1.109	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@H](NC(=O)CC[NH+](C)C)C1CC1	ZINC001375250785	920758777	/nfs/dbraw/zinc/75/87/77/920758777.db2.gz	HCFHALVECQSJPY-NSHDSACASA-N	1	3	313.402	-1.122	20	0		DAADHO
NC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1	ZINC001375768837	920808857	/nfs/dbraw/zinc/80/88/57/920808857.db2.gz	LXMWURXCBGVZMW-NSHDSACASA-N	1	3	311.386	-1.142	20	0		DAADHO
CNC(=O)[C@@H](C)NCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1	ZINC001376546202	920977048	/nfs/dbraw/zinc/97/70/48/920977048.db2.gz	DKXPYQUIJCUJKW-CHWSQXEVSA-N	1	3	314.430	-1.127	20	0		DAADHO
CNC(=O)[C@@H](C)NCCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001376546202	920977066	/nfs/dbraw/zinc/97/70/66/920977066.db2.gz	DKXPYQUIJCUJKW-CHWSQXEVSA-N	1	3	314.430	-1.127	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCN1C	ZINC001378748364	922002786	/nfs/dbraw/zinc/00/27/86/922002786.db2.gz	CXSVAGVYCIUSKM-QWRGUYRKSA-N	1	3	313.402	-1.027	20	0		DAADHO
CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001379204922	922066339	/nfs/dbraw/zinc/06/63/39/922066339.db2.gz	CTAUMSJGJFLSIU-GRYCIOLGSA-N	1	3	300.403	-1.471	20	0		DAADHO
CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001379204922	922066346	/nfs/dbraw/zinc/06/63/46/922066346.db2.gz	CTAUMSJGJFLSIU-GRYCIOLGSA-N	1	3	300.403	-1.471	20	0		DAADHO
CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C1(N(C)C)CCC1	ZINC001379208341	922075402	/nfs/dbraw/zinc/07/54/02/922075402.db2.gz	SFAPJPITFKEJOU-MNOVXSKESA-N	1	3	300.403	-1.328	20	0		DAADHO
C[C@@H]([NH2+]C[C@H](O)CNC(=O)CN(C)CC(C)(C)C)C(N)=O	ZINC001379241040	922092146	/nfs/dbraw/zinc/09/21/46/922092146.db2.gz	JPBWEGQIDMNYFT-MNOVXSKESA-N	1	3	302.419	-1.095	20	0		DAADHO
C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CN(C)CC(C)(C)C)C(N)=O	ZINC001379241037	922094084	/nfs/dbraw/zinc/09/40/84/922094084.db2.gz	JPBWEGQIDMNYFT-GHMZBOCLSA-N	1	3	302.419	-1.095	20	0		DAADHO
CCNC(=O)CNC[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001379258933	922103811	/nfs/dbraw/zinc/10/38/11/922103811.db2.gz	NHBUDPULMZLTDF-NEPJUHHUSA-N	1	3	300.403	-1.469	20	0		DAADHO
CCNC(=O)CNC[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001379258933	922103820	/nfs/dbraw/zinc/10/38/20/922103820.db2.gz	NHBUDPULMZLTDF-NEPJUHHUSA-N	1	3	300.403	-1.469	20	0		DAADHO
CNC(=O)CNC[C@H](O)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1	ZINC001379295814	922119704	/nfs/dbraw/zinc/11/97/04/922119704.db2.gz	SMQWWLPUHYXINT-JSGCOSHPSA-N	1	3	314.430	-1.081	20	0		DAADHO
C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)NCCn2cncn2)C1	ZINC001379503884	922207774	/nfs/dbraw/zinc/20/77/74/922207774.db2.gz	JHOIVVJGNMQACZ-CHWSQXEVSA-N	1	3	310.402	-1.313	20	0		DAADHO
C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NCCn2cncn2)C1	ZINC001379503884	922207786	/nfs/dbraw/zinc/20/77/86/922207786.db2.gz	JHOIVVJGNMQACZ-CHWSQXEVSA-N	1	3	310.402	-1.313	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCCN2CCNC2=O)C1	ZINC001379531345	922220457	/nfs/dbraw/zinc/22/04/57/922220457.db2.gz	VQADKLCGBXZBHO-VXGBXAGGSA-N	1	3	313.402	-1.970	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCCN2CCNC2=O)C1	ZINC001379531345	922220502	/nfs/dbraw/zinc/22/05/02/922220502.db2.gz	VQADKLCGBXZBHO-VXGBXAGGSA-N	1	3	313.402	-1.970	20	0		DAADHO
CNC(=O)CNC[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1	ZINC001379564396	922226036	/nfs/dbraw/zinc/22/60/36/922226036.db2.gz	KAYHIQKSFVFPED-NSHDSACASA-N	1	3	310.402	-1.101	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C	ZINC001379549676	922226525	/nfs/dbraw/zinc/22/65/25/922226525.db2.gz	IKUFOUJSQNPFEQ-MNOVXSKESA-N	1	3	313.402	-1.027	20	0		DAADHO
CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CN1CC[C@@H](C)C1	ZINC001379838040	922275443	/nfs/dbraw/zinc/27/54/43/922275443.db2.gz	VYWLPRLERCKSBU-OLZOCXBDSA-N	1	3	314.430	-1.127	20	0		DAADHO
C[C@]1(C[NH2+]CC(=O)NC(N)=O)CCN(C(=O)Cc2c[nH]cn2)C1	ZINC001380417730	922359752	/nfs/dbraw/zinc/35/97/52/922359752.db2.gz	BWFXSZOMWCHELC-CQSZACIVSA-N	1	3	322.369	-1.025	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)N(CCO)CCN[C@@H]2CCCNC2=O)C1	ZINC001380774434	922458260	/nfs/dbraw/zinc/45/82/60/922458260.db2.gz	PKQOCYARZOYMTH-QWHCGFSZSA-N	1	3	312.414	-1.373	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)N(CCO)CCN[C@@H]2CCCNC2=O)C1	ZINC001380774434	922458268	/nfs/dbraw/zinc/45/82/68/922458268.db2.gz	PKQOCYARZOYMTH-QWHCGFSZSA-N	1	3	312.414	-1.373	20	0		DAADHO
C[N@@H+]1CC[C@@H](CC(=O)N(CCO)CCN[C@@H]2CCNC2=O)C1	ZINC001380773931	922458508	/nfs/dbraw/zinc/45/85/08/922458508.db2.gz	NZPUGFLSMHYUKS-QWHCGFSZSA-N	1	3	312.414	-1.373	20	0		DAADHO
C[N@H+]1CC[C@@H](CC(=O)N(CCO)CCN[C@@H]2CCNC2=O)C1	ZINC001380773931	922458520	/nfs/dbraw/zinc/45/85/20/922458520.db2.gz	NZPUGFLSMHYUKS-QWHCGFSZSA-N	1	3	312.414	-1.373	20	0		DAADHO
CNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1	ZINC001380917037	922478110	/nfs/dbraw/zinc/47/81/10/922478110.db2.gz	XPMXNVCOOMVGAP-UONOGXRCSA-N	1	3	324.425	-1.109	20	0		DAADHO
CC[N@H+](C)CCC(=O)N1CCC(O)(CNCC(N)=O)CC1	ZINC001381158058	922507383	/nfs/dbraw/zinc/50/73/83/922507383.db2.gz	RPLZVIGDJUFNEW-UHFFFAOYSA-N	1	3	300.403	-1.243	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N1CCC(O)(CNCC(N)=O)CC1	ZINC001381158058	922507393	/nfs/dbraw/zinc/50/73/93/922507393.db2.gz	RPLZVIGDJUFNEW-UHFFFAOYSA-N	1	3	300.403	-1.243	20	0		DAADHO
O=C(NC[C@H](CO)NCCN1CCCC1=O)C12CC[NH+](CC1)C2	ZINC001382268661	922655237	/nfs/dbraw/zinc/65/52/37/922655237.db2.gz	YITXREUPQXPZKV-CYBMUJFWSA-N	1	3	324.425	-1.229	20	0		DAADHO
Cn1ccc(CN[C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1=O	ZINC001382276845	922661148	/nfs/dbraw/zinc/66/11/48/922661148.db2.gz	YYUFGAPHEJOMLR-UONOGXRCSA-N	1	3	322.409	-1.096	20	0		DAADHO
Cn1ccc(CN[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1=O	ZINC001382276845	922661161	/nfs/dbraw/zinc/66/11/61/922661161.db2.gz	YYUFGAPHEJOMLR-UONOGXRCSA-N	1	3	322.409	-1.096	20	0		DAADHO
CCCN(C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001382554855	922804987	/nfs/dbraw/zinc/80/49/87/922804987.db2.gz	DVAMISADLIUXGF-CHWSQXEVSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCCN(C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001382554855	922805000	/nfs/dbraw/zinc/80/50/00/922805000.db2.gz	DVAMISADLIUXGF-CHWSQXEVSA-N	1	3	314.430	-1.127	20	0		DAADHO
CC(C)N(C)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001383923150	922975988	/nfs/dbraw/zinc/97/59/88/922975988.db2.gz	CYXSRMOEKCMFHF-QWHCGFSZSA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)N(C)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001383923150	922975998	/nfs/dbraw/zinc/97/59/98/922975998.db2.gz	CYXSRMOEKCMFHF-QWHCGFSZSA-N	1	3	314.430	-1.128	20	0		DAADHO
CCCN(C)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001383926283	922980493	/nfs/dbraw/zinc/98/04/93/922980493.db2.gz	KVTSIMYJUPCUCI-QWHCGFSZSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCCN(C)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001383926283	922980504	/nfs/dbraw/zinc/98/05/04/922980504.db2.gz	KVTSIMYJUPCUCI-QWHCGFSZSA-N	1	3	314.430	-1.127	20	0		DAADHO
C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1O	ZINC001385119429	923145283	/nfs/dbraw/zinc/14/52/83/923145283.db2.gz	ZAMRIAHPALVLNX-STQMWFEESA-N	1	3	323.397	-1.018	20	0		DAADHO
C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1O	ZINC001385119427	923145364	/nfs/dbraw/zinc/14/53/64/923145364.db2.gz	ZAMRIAHPALVLNX-OLZOCXBDSA-N	1	3	323.397	-1.018	20	0		DAADHO
CCCN(C)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001389095020	923550179	/nfs/dbraw/zinc/55/01/79/923550179.db2.gz	ILJQNSUBLGZGPZ-CHWSQXEVSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCCN(C)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001389095020	923550186	/nfs/dbraw/zinc/55/01/86/923550186.db2.gz	ILJQNSUBLGZGPZ-CHWSQXEVSA-N	1	3	314.430	-1.127	20	0		DAADHO
C[NH+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCOCC2)C1	ZINC001389800142	923680043	/nfs/dbraw/zinc/68/00/43/923680043.db2.gz	VGJBZBZEWPCVCD-ZDUSSCGKSA-N	1	3	312.414	-1.013	20	0		DAADHO
C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)NC(N)=O	ZINC001390584648	923762204	/nfs/dbraw/zinc/76/22/04/923762204.db2.gz	GQZSKVYNKAQRCR-ZJUUUORDSA-N	1	3	322.369	-1.026	20	0		DAADHO
C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1	ZINC001392100512	923935305	/nfs/dbraw/zinc/93/53/05/923935305.db2.gz	NIBSPVHQXQJNKU-QWRGUYRKSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)C[N@H+]1CC[C@H](C)C1	ZINC001392100512	923935314	/nfs/dbraw/zinc/93/53/14/923935314.db2.gz	NIBSPVHQXQJNKU-QWRGUYRKSA-N	1	3	313.402	-1.040	20	0		DAADHO
CN(CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)C1CCC1	ZINC001392371330	923986373	/nfs/dbraw/zinc/98/63/73/923986373.db2.gz	DXRLXZWVBCEEOI-SNVBAGLBSA-N	1	3	315.374	-2.268	20	0		DAADHO
CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1(N(C)C)CCC1	ZINC001392377682	923990502	/nfs/dbraw/zinc/99/05/02/923990502.db2.gz	UPVIAICFQOIUKS-NSHDSACASA-N	1	3	300.403	-1.327	20	0		DAADHO
C[NH+](C)CCC(=O)NC[C@H](O)CNCC(=O)N1CCOCC1	ZINC001392394173	924005925	/nfs/dbraw/zinc/00/59/25/924005925.db2.gz	OMBXWTQONBILAB-GFCCVEGCSA-N	1	3	316.402	-2.136	20	0		DAADHO
CC(C)(C(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O)N1CCCC1	ZINC001392392941	924006439	/nfs/dbraw/zinc/00/64/39/924006439.db2.gz	PWRMNLWUJAQCDW-VXGBXAGGSA-N	1	3	312.414	-1.184	20	0		DAADHO
CC(C)(C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O)[NH+]1CCCC1	ZINC001392392941	924006448	/nfs/dbraw/zinc/00/64/48/924006448.db2.gz	PWRMNLWUJAQCDW-VXGBXAGGSA-N	1	3	312.414	-1.184	20	0		DAADHO
CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)CN1CC[C@@H](C)C1	ZINC001392403331	924013648	/nfs/dbraw/zinc/01/36/48/924013648.db2.gz	UXUWSAWCIXWQHD-CHWSQXEVSA-N	1	3	314.430	-1.127	20	0		DAADHO
CNC(=O)CNC[C@H](O)CNC(=O)CC1CC[NH+](C)CC1	ZINC001392408623	924017078	/nfs/dbraw/zinc/01/70/78/924017078.db2.gz	LQCQMSSAPNQCDV-LBPRGKRZSA-N	1	3	300.403	-1.469	20	0		DAADHO
C[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)[NH+]1CCCCCC1	ZINC001392414100	924020448	/nfs/dbraw/zinc/02/04/48/924020448.db2.gz	VQDRPTVJMYUIQB-RYUDHWBXSA-N	1	3	300.403	-1.197	20	0		DAADHO
C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNCC(=O)NC(N)=O)C1	ZINC001392420489	924025088	/nfs/dbraw/zinc/02/50/88/924025088.db2.gz	HIMAYLYJOKGLHO-UWVGGRQHSA-N	1	3	315.374	-2.410	20	0		DAADHO
C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNCC(=O)NC(N)=O)C1	ZINC001392420489	924025100	/nfs/dbraw/zinc/02/51/00/924025100.db2.gz	HIMAYLYJOKGLHO-UWVGGRQHSA-N	1	3	315.374	-2.410	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001392429978	924030410	/nfs/dbraw/zinc/03/04/10/924030410.db2.gz	SQOFDDYVAFBNAI-NXEZZACHSA-N	1	3	315.374	-2.540	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001392429978	924030393	/nfs/dbraw/zinc/03/03/93/924030393.db2.gz	SQOFDDYVAFBNAI-NXEZZACHSA-N	1	3	315.374	-2.540	20	0		DAADHO
CC[N@H+](C)CCC(=O)N[C@@H](C)CNCC(=O)NC(=O)NC	ZINC001392600710	924055862	/nfs/dbraw/zinc/05/58/62/924055862.db2.gz	GRZPXJXVPBPRSZ-JTQLQIEISA-N	1	3	301.391	-1.122	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N[C@@H](C)CNCC(=O)NC(=O)NC	ZINC001392600710	924055869	/nfs/dbraw/zinc/05/58/69/924055869.db2.gz	GRZPXJXVPBPRSZ-JTQLQIEISA-N	1	3	301.391	-1.122	20	0		DAADHO
O=C(CN1CCCC1)NC[C@@]1(O)CC[N@@H+]([C@H]2CCCNC2=O)C1	ZINC001393272497	924144957	/nfs/dbraw/zinc/14/49/57/924144957.db2.gz	CZQIMJFFFOCLPO-BBRMVZONSA-N	1	3	324.425	-1.086	20	0		DAADHO
O=C(CN1CCCC1)NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1	ZINC001393272497	924144969	/nfs/dbraw/zinc/14/49/69/924144969.db2.gz	CZQIMJFFFOCLPO-BBRMVZONSA-N	1	3	324.425	-1.086	20	0		DAADHO
CC[C@@H](NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O	ZINC001393478117	924215779	/nfs/dbraw/zinc/21/57/79/924215779.db2.gz	HPWQUEQCFYEZBT-VXGBXAGGSA-N	1	3	300.403	-1.388	20	0		DAADHO
CC[C@@H](NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O	ZINC001393478117	924215794	/nfs/dbraw/zinc/21/57/94/924215794.db2.gz	HPWQUEQCFYEZBT-VXGBXAGGSA-N	1	3	300.403	-1.388	20	0		DAADHO
C[NH+](C)CCC(=O)N1CCO[C@@H](CNCC(=O)NC(N)=O)C1	ZINC001393585754	924231990	/nfs/dbraw/zinc/23/19/90/924231990.db2.gz	IIFOBGHUJTYARE-JTQLQIEISA-N	1	3	315.374	-2.050	20	0		DAADHO
C[NH+]1CCC(C(=O)N2CCC(O)(CNCC(N)=O)CC2)CC1	ZINC001393776072	924256332	/nfs/dbraw/zinc/25/63/32/924256332.db2.gz	OBRYICMLVNMVNM-UHFFFAOYSA-N	1	3	312.414	-1.243	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN1CCCC1	ZINC001394561779	924307166	/nfs/dbraw/zinc/30/71/66/924307166.db2.gz	YGZJVZCZIAFXKQ-NSHDSACASA-N	1	3	313.402	-1.026	20	0		DAADHO
CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCC1)N(C)C	ZINC001394738070	924369681	/nfs/dbraw/zinc/36/96/81/924369681.db2.gz	BOAOTABOFJAYPM-CHWSQXEVSA-N	1	3	314.430	-1.032	20	0		DAADHO
CCN(CC)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001395737752	924456102	/nfs/dbraw/zinc/45/61/02/924456102.db2.gz	QBJYYRWYLAIWQM-CHWSQXEVSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(CC)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001395737752	924456105	/nfs/dbraw/zinc/45/61/05/924456105.db2.gz	QBJYYRWYLAIWQM-CHWSQXEVSA-N	1	3	314.430	-1.127	20	0		DAADHO
Cc1[nH]cnc1CC(=O)NC[C@@H](CO)NC(=O)CC[NH+](C)C	ZINC001395780248	924473114	/nfs/dbraw/zinc/47/31/14/924473114.db2.gz	UNOSRSYTUDYLLM-NSHDSACASA-N	1	3	311.386	-1.194	20	0		DAADHO
CC(C)N(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1	ZINC001396395349	924519486	/nfs/dbraw/zinc/51/94/86/924519486.db2.gz	XRVAUZNCXUWFSD-CHWSQXEVSA-N	1	3	314.430	-1.034	20	0		DAADHO
C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H](C)C(=O)NC(N)=O	ZINC001399125513	924691081	/nfs/dbraw/zinc/69/10/81/924691081.db2.gz	TWUJRCJVSRLYOM-ZJUUUORDSA-N	1	3	311.386	-1.240	20	0		DAADHO
C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H](C)C(=O)NC(N)=O	ZINC001399125480	924692230	/nfs/dbraw/zinc/69/22/30/924692230.db2.gz	TWUJRCJVSRLYOM-NXEZZACHSA-N	1	3	311.386	-1.240	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001401262479	924854876	/nfs/dbraw/zinc/85/48/76/924854876.db2.gz	SJBJMMVDNUOCSM-QWRGUYRKSA-N	1	3	313.402	-1.170	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001401262479	924854885	/nfs/dbraw/zinc/85/48/85/924854885.db2.gz	SJBJMMVDNUOCSM-QWRGUYRKSA-N	1	3	313.402	-1.170	20	0		DAADHO
CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	ZINC001401519002	924874820	/nfs/dbraw/zinc/87/48/20/924874820.db2.gz	YNKWTJJGRZFFDN-RWMBFGLXSA-N	1	3	314.430	-1.081	20	0		DAADHO
CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC	ZINC001401519002	924874822	/nfs/dbraw/zinc/87/48/22/924874822.db2.gz	YNKWTJJGRZFFDN-RWMBFGLXSA-N	1	3	314.430	-1.081	20	0		DAADHO
CNC(=O)CNC[C@H](O)CNC(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001401536773	924878215	/nfs/dbraw/zinc/87/82/15/924878215.db2.gz	IZOVHRAKZJYOGG-NEPJUHHUSA-N	1	3	300.403	-1.327	20	0		DAADHO
CNC(=O)CNC[C@H](O)CNC(=O)CC[C@H]1CCC[N@H+]1C	ZINC001401536773	924878221	/nfs/dbraw/zinc/87/82/21/924878221.db2.gz	IZOVHRAKZJYOGG-NEPJUHHUSA-N	1	3	300.403	-1.327	20	0		DAADHO
CN1CC[C@@H](NC[C@@H](O)CNC(=O)C2CC[NH+](C)CC2)C1=O	ZINC001401556184	924888063	/nfs/dbraw/zinc/88/80/63/924888063.db2.gz	NTXAQKAJUQUKHR-CHWSQXEVSA-N	1	3	312.414	-1.374	20	0		DAADHO
CN(C)C1(C(=O)NC[C@@H](O)C[NH2+][C@@H]2CCCNC2=O)CCC1	ZINC001401556855	924888446	/nfs/dbraw/zinc/88/84/46/924888446.db2.gz	QRJRWLWLFXNHBV-NWDGAFQWSA-N	1	3	312.414	-1.184	20	0		DAADHO
CN(C)C1(C(=O)NC[C@H](O)C[NH2+][C@H]2CCCNC2=O)CCC1	ZINC001401556827	924888956	/nfs/dbraw/zinc/88/89/56/924888956.db2.gz	QRJRWLWLFXNHBV-NEPJUHHUSA-N	1	3	312.414	-1.184	20	0		DAADHO
CC(C)N1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O	ZINC001401560251	924890228	/nfs/dbraw/zinc/89/02/28/924890228.db2.gz	NKTMNKIWMKSGTM-NEPJUHHUSA-N	1	3	300.403	-1.199	20	0		DAADHO
CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)CN1CC[C@@H](C)C1	ZINC001401562054	924892493	/nfs/dbraw/zinc/89/24/93/924892493.db2.gz	TZWZQGIFXUHRIG-CHWSQXEVSA-N	1	3	314.430	-1.081	20	0		DAADHO
CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001401563456	924892618	/nfs/dbraw/zinc/89/26/18/924892618.db2.gz	HXAJTZWLSSXING-SRVKXCTJSA-N	1	3	300.403	-1.471	20	0		DAADHO
CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC001401563456	924892627	/nfs/dbraw/zinc/89/26/27/924892627.db2.gz	HXAJTZWLSSXING-SRVKXCTJSA-N	1	3	300.403	-1.471	20	0		DAADHO
CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@H](O)CNCC(N)=O)C1	ZINC001401563105	924893171	/nfs/dbraw/zinc/89/31/71/924893171.db2.gz	VMHHJXMEZIUNOL-YGRLFVJLSA-N	1	3	318.393	-1.249	20	0		DAADHO
CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@H](O)CNCC(N)=O)C1	ZINC001401563105	924893181	/nfs/dbraw/zinc/89/31/81/924893181.db2.gz	VMHHJXMEZIUNOL-YGRLFVJLSA-N	1	3	318.393	-1.249	20	0		DAADHO
CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)C12CCC[NH+]1CCC2	ZINC001401575209	924899046	/nfs/dbraw/zinc/89/90/46/924899046.db2.gz	WVGXKLCSISMBTE-RYUDHWBXSA-N	1	3	312.414	-1.184	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O	ZINC001401591938	924903645	/nfs/dbraw/zinc/90/36/45/924903645.db2.gz	VXMVXSLCHYUBHU-NWDGAFQWSA-N	1	3	300.403	-1.328	20	0		DAADHO
CC[C@H](C(=O)NCCN1CCC([NH2+]CC(N)=O)CC1)N(C)C	ZINC001402435452	924996595	/nfs/dbraw/zinc/99/65/95/924996595.db2.gz	QRZOABFIHYWGLT-CYBMUJFWSA-N	1	3	313.446	-1.018	20	0		DAADHO
C[C@@H]1[C@H](C(=O)N(CCO)CCN[C@H]2CCNC2=O)CC[N@@H+]1C	ZINC001402467321	925002082	/nfs/dbraw/zinc/00/20/82/925002082.db2.gz	NXZJOKGHSAWLSM-UPJWGTAASA-N	1	3	312.414	-1.374	20	0		DAADHO
C[C@@H]1[C@H](C(=O)N(CCO)CCN[C@H]2CCNC2=O)CC[N@H+]1C	ZINC001402467321	925002091	/nfs/dbraw/zinc/00/20/91/925002091.db2.gz	NXZJOKGHSAWLSM-UPJWGTAASA-N	1	3	312.414	-1.374	20	0		DAADHO
CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]CC(=O)NC)C1)N(C)C	ZINC001402603032	925015052	/nfs/dbraw/zinc/01/50/52/925015052.db2.gz	NFWUZZIQKKVGBT-NEPJUHHUSA-N	1	3	300.403	-1.110	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](CNCC(=O)N3CCC3)C2)C1	ZINC001402595890	925015461	/nfs/dbraw/zinc/01/54/61/925015461.db2.gz	KONJVIRXFFXPNO-UONOGXRCSA-N	1	3	324.425	-1.013	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](CNCC(=O)N3CCC3)C2)C1	ZINC001402595890	925015467	/nfs/dbraw/zinc/01/54/67/925015467.db2.gz	KONJVIRXFFXPNO-UONOGXRCSA-N	1	3	324.425	-1.013	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNCC(=O)N3CCC3)C2)C1	ZINC001402595894	925015635	/nfs/dbraw/zinc/01/56/35/925015635.db2.gz	KONJVIRXFFXPNO-ZIAGYGMSSA-N	1	3	324.425	-1.013	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNCC(=O)N3CCC3)C2)C1	ZINC001402595894	925015644	/nfs/dbraw/zinc/01/56/44/925015644.db2.gz	KONJVIRXFFXPNO-ZIAGYGMSSA-N	1	3	324.425	-1.013	20	0		DAADHO
C[NH+](C)CCC(=O)N1C[C@@H](NCC(=O)NC(N)=O)C(C)(C)C1	ZINC001403811200	925143654	/nfs/dbraw/zinc/14/36/54/925143654.db2.gz	CJASWMNSVBKPJR-SNVBAGLBSA-N	1	3	313.402	-1.040	20	0		DAADHO
CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C	ZINC001404309573	925190571	/nfs/dbraw/zinc/19/05/71/925190571.db2.gz	GLUTZHVZSWYUNN-NXEZZACHSA-N	1	3	301.391	-1.042	20	0		DAADHO
C[NH+](C)CCC(=O)NC1(CCO)CN(C(=O)Cc2c[nH]cn2)C1	ZINC001404545437	925204248	/nfs/dbraw/zinc/20/42/48/925204248.db2.gz	PELRSWRTMUCYED-UHFFFAOYSA-N	1	3	323.397	-1.017	20	0		DAADHO
CC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)NC(N)=O)N(C)C	ZINC001405736353	925333434	/nfs/dbraw/zinc/33/34/34/925333434.db2.gz	QLNIRJCDNYIXAI-ZJUUUORDSA-N	1	3	301.391	-1.137	20	0		DAADHO
CCCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001406217627	925359384	/nfs/dbraw/zinc/35/93/84/925359384.db2.gz	NGQOIQATTRRTCN-FRRDWIJNSA-N	1	3	314.430	-1.081	20	0		DAADHO
CCCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001406217627	925359392	/nfs/dbraw/zinc/35/93/92/925359392.db2.gz	NGQOIQATTRRTCN-FRRDWIJNSA-N	1	3	314.430	-1.081	20	0		DAADHO
CN(C)C1(C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)CCC1	ZINC001406241910	925371371	/nfs/dbraw/zinc/37/13/71/925371371.db2.gz	OGJOYEBTAHAKLR-GFCCVEGCSA-N	1	3	312.414	-1.230	20	0		DAADHO
CN1CCC[C@H](NC[C@@H](O)CNC(=O)CC[NH+](C)C)C1=O	ZINC001406253506	925379341	/nfs/dbraw/zinc/37/93/41/925379341.db2.gz	CRMXIYIWMRNCKP-NEPJUHHUSA-N	1	3	300.403	-1.374	20	0		DAADHO
CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNCC(N)=O	ZINC001406254110	925380181	/nfs/dbraw/zinc/38/01/81/925380181.db2.gz	MTPBUGGENQRIQU-RYUDHWBXSA-N	1	3	300.403	-1.341	20	0		DAADHO
CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNCC(N)=O	ZINC001406254110	925380190	/nfs/dbraw/zinc/38/01/90/925380190.db2.gz	MTPBUGGENQRIQU-RYUDHWBXSA-N	1	3	300.403	-1.341	20	0		DAADHO
CC[C@@H](NC[C@H](O)CNC(=O)C1CC[NH+](C)CC1)C(N)=O	ZINC001406258700	925382456	/nfs/dbraw/zinc/38/24/56/925382456.db2.gz	NHWSZAZXEMBBFT-NWDGAFQWSA-N	1	3	300.403	-1.341	20	0		DAADHO
CCNC(=O)CNC[C@H](O)CNC(=O)C1CC[NH+](C)CC1	ZINC001406262815	925384009	/nfs/dbraw/zinc/38/40/09/925384009.db2.gz	XOOHTIWRGUZDBW-LBPRGKRZSA-N	1	3	300.403	-1.469	20	0		DAADHO
CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1	ZINC001406263864	925386269	/nfs/dbraw/zinc/38/62/69/925386269.db2.gz	FZDHGAQQLVCJQJ-MNOVXSKESA-N	1	3	300.403	-1.471	20	0		DAADHO
C[NH+](C)CCCC(=O)NC[C@H](O)CN[C@@H]1CCCNC1=O	ZINC001406275745	925389385	/nfs/dbraw/zinc/38/93/85/925389385.db2.gz	VNMCMBUVIGHZTD-VXGBXAGGSA-N	1	3	300.403	-1.327	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O	ZINC001406315521	925400987	/nfs/dbraw/zinc/40/09/87/925400987.db2.gz	YUAGPAYIRIUHIM-VXGBXAGGSA-N	1	3	300.403	-1.376	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCN(C)C1=O	ZINC001406315011	925401037	/nfs/dbraw/zinc/40/10/37/925401037.db2.gz	YUAGPAYIRIUHIM-NEPJUHHUSA-N	1	3	300.403	-1.376	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1	ZINC001406399562	925413446	/nfs/dbraw/zinc/41/34/46/925413446.db2.gz	LPJMQHACXILUGQ-GHMZBOCLSA-N	1	3	313.402	-1.122	20	0		DAADHO
CN1CCC[C@@H](NCCN(CCO)C(=O)CC[NH+](C)C)C1=O	ZINC001407664399	925517201	/nfs/dbraw/zinc/51/72/01/925517201.db2.gz	RIWBALWEXDIPNU-CYBMUJFWSA-N	1	3	314.430	-1.031	20	0		DAADHO
C[C@H](NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)N(C)C	ZINC001407664519	925517592	/nfs/dbraw/zinc/51/75/92/925517592.db2.gz	COEAOVUFSLMRBV-STQMWFEESA-N	1	3	314.430	-1.175	20	0		DAADHO
C[C@H](NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C	ZINC001407664519	925517599	/nfs/dbraw/zinc/51/75/99/925517599.db2.gz	COEAOVUFSLMRBV-STQMWFEESA-N	1	3	314.430	-1.175	20	0		DAADHO
C[C@@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CN1CCCC1	ZINC001410840107	925787902	/nfs/dbraw/zinc/78/79/02/925787902.db2.gz	CLEKOINONCXFEZ-MNOVXSKESA-N	1	3	311.386	-1.144	20	0		DAADHO
C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)CN(C)C1CCC1)C(N)=O	ZINC001411036800	925802122	/nfs/dbraw/zinc/80/21/22/925802122.db2.gz	BSRREHCTTIDDBF-JQWIXIFHSA-N	1	3	300.403	-1.247	20	0		DAADHO
CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)CN(C)C1CCC1	ZINC001411044793	925804013	/nfs/dbraw/zinc/80/40/13/925804013.db2.gz	PSOSSPLLFVPSQK-CHWSQXEVSA-N	1	3	312.414	-1.232	20	0		DAADHO
CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)C1(C[NH+](C)C)CC1	ZINC001411101620	925813753	/nfs/dbraw/zinc/81/37/53/925813753.db2.gz	WREWPZCUXRJTGT-RYUDHWBXSA-N	1	3	312.414	-1.374	20	0		DAADHO
CCN(C)C(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001411148027	925820262	/nfs/dbraw/zinc/82/02/62/925820262.db2.gz	ULIMSZBQJLEIMS-STQMWFEESA-N	1	3	314.430	-1.175	20	0		DAADHO
CCN(C)C(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001411148027	925820270	/nfs/dbraw/zinc/82/02/70/925820270.db2.gz	ULIMSZBQJLEIMS-STQMWFEESA-N	1	3	314.430	-1.175	20	0		DAADHO
CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CC(=O)NC(N)=O)C1	ZINC001411240083	925833025	/nfs/dbraw/zinc/83/30/25/925833025.db2.gz	SNXAORJVDGPRHZ-ILDUYXDCSA-N	1	3	311.386	-1.146	20	0		DAADHO
CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1	ZINC001413341237	926038524	/nfs/dbraw/zinc/03/85/24/926038524.db2.gz	QCNYFNWFNYFQHD-AAEUAGOBSA-N	1	3	323.397	-1.161	20	0		DAADHO
CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1	ZINC001413341237	926038533	/nfs/dbraw/zinc/03/85/33/926038533.db2.gz	QCNYFNWFNYFQHD-AAEUAGOBSA-N	1	3	323.397	-1.161	20	0		DAADHO
NC(=O)NC(=O)CN[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1	ZINC001418011366	926358398	/nfs/dbraw/zinc/35/83/98/926358398.db2.gz	SIMJSVLERGQABX-NSHDSACASA-N	1	3	323.397	-1.239	20	0		DAADHO
CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1	ZINC001418349687	926384529	/nfs/dbraw/zinc/38/45/29/926384529.db2.gz	NQVMHCDVFBNQAA-LLVKDONJSA-N	1	3	313.402	-1.039	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1	ZINC001419364714	926473871	/nfs/dbraw/zinc/47/38/71/926473871.db2.gz	ISYSTOZHXCAYHM-QWRGUYRKSA-N	1	3	311.386	-1.273	20	0		DAADHO
CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O)N(C)C	ZINC001420191795	926558225	/nfs/dbraw/zinc/55/82/25/926558225.db2.gz	HCZDKCYLBRZCOM-IUCAKERBSA-N	1	3	303.363	-2.412	20	0		DAADHO
CC(C)NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001420192856	926558833	/nfs/dbraw/zinc/55/88/33/926558833.db2.gz	RSRWDHBMAIMYEO-NWDGAFQWSA-N	1	3	300.403	-1.471	20	0		DAADHO
CC(C)NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001420192856	926558844	/nfs/dbraw/zinc/55/88/44/926558844.db2.gz	RSRWDHBMAIMYEO-NWDGAFQWSA-N	1	3	300.403	-1.471	20	0		DAADHO
O=C(NC[C@H](O)CN[C@@H]1CCCNC1=O)C12CC[NH+](CC1)C2	ZINC001420197428	926559967	/nfs/dbraw/zinc/55/99/67/926559967.db2.gz	OJHLLUXACSTTNE-VXGBXAGGSA-N	1	3	310.398	-1.573	20	0		DAADHO
C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)C12CC[NH+](CC1)C2	ZINC001420502769	926597247	/nfs/dbraw/zinc/59/72/47/926597247.db2.gz	CKWSTGICPJYZNM-UWVGGRQHSA-N	1	3	311.386	-1.240	20	0		DAADHO
CC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C	ZINC001420723460	926611681	/nfs/dbraw/zinc/61/16/81/926611681.db2.gz	GLUTZHVZSWYUNN-ZJUUUORDSA-N	1	3	301.391	-1.042	20	0		DAADHO
CC[C@H](C(=O)NC[C@]1(O)CC[N@H+](C[C@@H](O)COC)C1)N(C)C	ZINC001421366712	926675832	/nfs/dbraw/zinc/67/58/32/926675832.db2.gz	WYOLADNTPZJCPR-UMVBOHGHSA-N	1	3	317.430	-1.113	20	0		DAADHO
CC[C@H](C(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](O)COC)C1)N(C)C	ZINC001421366712	926675837	/nfs/dbraw/zinc/67/58/37/926675837.db2.gz	WYOLADNTPZJCPR-UMVBOHGHSA-N	1	3	317.430	-1.113	20	0		DAADHO
CNC(=O)[C@H](C)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001421801770	926757484	/nfs/dbraw/zinc/75/74/84/926757484.db2.gz	KRCMBHUPOSEGJO-RYUDHWBXSA-N	1	3	300.403	-1.110	20	0		DAADHO
CC[N@H+](C)CCC(=O)N1CCO[C@@H](CNCC(=O)NC)C1	ZINC001421813953	926764777	/nfs/dbraw/zinc/76/47/77/926764777.db2.gz	DFJCMCVBXHNHFI-LBPRGKRZSA-N	1	3	300.403	-1.109	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N1CCO[C@@H](CNCC(=O)NC)C1	ZINC001421813953	926764784	/nfs/dbraw/zinc/76/47/84/926764784.db2.gz	DFJCMCVBXHNHFI-LBPRGKRZSA-N	1	3	300.403	-1.109	20	0		DAADHO
C[C@H](NC[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O	ZINC001422333068	926835562	/nfs/dbraw/zinc/83/55/62/926835562.db2.gz	AFEZEMPBAUXMTI-NWDGAFQWSA-N	1	3	312.414	-1.197	20	0		DAADHO
CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)CN1CC[C@H](C)C1	ZINC001422366421	926852038	/nfs/dbraw/zinc/85/20/38/926852038.db2.gz	ZQLKDLWZXTUZTE-RYUDHWBXSA-N	1	3	300.403	-1.469	20	0		DAADHO
CC[N@H+](C)CCC(=O)NC[C@@H](O)CN[C@H]1CCCNC1=O	ZINC001422379136	926857213	/nfs/dbraw/zinc/85/72/13/926857213.db2.gz	KHKNKYWJBSFOFA-RYUDHWBXSA-N	1	3	300.403	-1.327	20	0		DAADHO
CC[N@@H+](C)CCC(=O)NC[C@@H](O)CN[C@H]1CCCNC1=O	ZINC001422379136	926857223	/nfs/dbraw/zinc/85/72/23/926857223.db2.gz	KHKNKYWJBSFOFA-RYUDHWBXSA-N	1	3	300.403	-1.327	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1	ZINC001422547723	926884547	/nfs/dbraw/zinc/88/45/47/926884547.db2.gz	FERVMJZTFRXKCG-SNVBAGLBSA-N	1	3	313.402	-1.122	20	0		DAADHO
C[C@@H](CNCC(=O)N1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001422743550	926912146	/nfs/dbraw/zinc/91/21/46/926912146.db2.gz	LRYYDFQJLHDIMV-QWHCGFSZSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[C@@H](CNCC(=O)N1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001422743550	926912159	/nfs/dbraw/zinc/91/21/59/926912159.db2.gz	LRYYDFQJLHDIMV-QWHCGFSZSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NCCn2cncn2)CC[N@@H+]1C	ZINC001423211453	926973937	/nfs/dbraw/zinc/97/39/37/926973937.db2.gz	LOPHKKVSORQIHR-FRRDWIJNSA-N	1	3	310.402	-1.315	20	0		DAADHO
C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NCCn2cncn2)CC[N@H+]1C	ZINC001423211453	926973944	/nfs/dbraw/zinc/97/39/44/926973944.db2.gz	LOPHKKVSORQIHR-FRRDWIJNSA-N	1	3	310.402	-1.315	20	0		DAADHO
CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)C12CCC[NH+]1CCC2	ZINC001423455729	927058410	/nfs/dbraw/zinc/05/84/10/927058410.db2.gz	CMBRKJGBIBHEBT-CHWSQXEVSA-N	1	3	324.425	-1.088	20	0		DAADHO
CN(C[C@H](O)CN[C@H]1CCN(C)C1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001423478864	927068912	/nfs/dbraw/zinc/06/89/12/927068912.db2.gz	LERRGNKZFMTDDS-OLZOCXBDSA-N	1	3	324.425	-1.278	20	0		DAADHO
CN(C[C@@H](O)CNCC(N)=O)C(=O)CC[NH+]1CCCCC1	ZINC001423494990	927079766	/nfs/dbraw/zinc/07/97/66/927079766.db2.gz	LFESSHBDUJNWEG-LBPRGKRZSA-N	1	3	300.403	-1.243	20	0		DAADHO
CC(C)[C@@H](C(=O)N(CCO)CCN[C@@H]1CCNC1=O)[NH+](C)C	ZINC001424050870	927188770	/nfs/dbraw/zinc/18/87/70/927188770.db2.gz	QOEDIIIBCMLUFE-OLZOCXBDSA-N	1	3	314.430	-1.128	20	0		DAADHO
C[C@H](NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1)C(N)=O	ZINC001424238822	927210034	/nfs/dbraw/zinc/21/00/34/927210034.db2.gz	NFAIDTWUEZJOIV-NWDGAFQWSA-N	1	3	310.398	-1.227	20	0		DAADHO
Cc1[nH]cnc1CC(=O)N[C@@H](CO)CNC(=O)CC[NH+](C)C	ZINC001425494028	927379733	/nfs/dbraw/zinc/37/97/33/927379733.db2.gz	MBRYFCLDXCSVFY-LLVKDONJSA-N	1	3	311.386	-1.194	20	0		DAADHO
C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCC(=O)NC(N)=O	ZINC001425628552	927398322	/nfs/dbraw/zinc/39/83/22/927398322.db2.gz	ASEBFNGYJVWBIB-JTQLQIEISA-N	1	3	313.402	-1.040	20	0		DAADHO
CNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)C[NH+]1CCC(C)CC1	ZINC001425819470	927462412	/nfs/dbraw/zinc/46/24/12/927462412.db2.gz	HVUIOIDQGBSNCJ-QWHCGFSZSA-N	1	3	314.430	-1.081	20	0		DAADHO
CNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)C[NH+]1CCC(C)CC1	ZINC001425819464	927462436	/nfs/dbraw/zinc/46/24/36/927462436.db2.gz	HVUIOIDQGBSNCJ-CHWSQXEVSA-N	1	3	314.430	-1.081	20	0		DAADHO
CN(C[C@@H](O)CN[C@H]1CCCNC1=O)C(=O)CC[NH+](C)C	ZINC001426021936	927507435	/nfs/dbraw/zinc/50/74/35/927507435.db2.gz	FZQHLWYORYLDFE-RYUDHWBXSA-N	1	3	300.403	-1.374	20	0		DAADHO
CC[N@H+](C)CCC(=O)N(C)C[C@H](O)CN[C@@H]1CCN(C)C1=O	ZINC001426026772	927508308	/nfs/dbraw/zinc/50/83/08/927508308.db2.gz	BYBOXGNZTVGOBV-CHWSQXEVSA-N	1	3	314.430	-1.032	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N(C)C[C@H](O)CN[C@@H]1CCN(C)C1=O	ZINC001426026772	927508320	/nfs/dbraw/zinc/50/83/20/927508320.db2.gz	BYBOXGNZTVGOBV-CHWSQXEVSA-N	1	3	314.430	-1.032	20	0		DAADHO
CN(C[C@H](O)CN[C@H]1CCCNC1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001426032664	927512796	/nfs/dbraw/zinc/51/27/96/927512796.db2.gz	RWHRYQSWWJLYDY-OLZOCXBDSA-N	1	3	324.425	-1.230	20	0		DAADHO
Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O	ZINC001428934288	927830349	/nfs/dbraw/zinc/83/03/49/927830349.db2.gz	YMICWIUOFYOSPD-OLZOCXBDSA-N	1	3	323.397	-1.100	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001431536999	928055707	/nfs/dbraw/zinc/05/57/07/928055707.db2.gz	DHLKVKVFVVUCFR-STQMWFEESA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001431536999	928055718	/nfs/dbraw/zinc/05/57/18/928055718.db2.gz	DHLKVKVFVVUCFR-STQMWFEESA-N	1	3	314.430	-1.128	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C	ZINC001437259132	928441465	/nfs/dbraw/zinc/44/14/65/928441465.db2.gz	FBGWULHVQVWQCH-JTQLQIEISA-N	1	3	301.391	-1.124	20	0		DAADHO
CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1	ZINC001437281679	928444496	/nfs/dbraw/zinc/44/44/96/928444496.db2.gz	OLTRJYZTQMZLBS-NSHDSACASA-N	1	3	313.402	-1.026	20	0		DAADHO
CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C	ZINC001438995496	928565364	/nfs/dbraw/zinc/56/53/64/928565364.db2.gz	CTFDYIOTIYJUQU-QWHCGFSZSA-N	1	3	314.430	-1.081	20	0		DAADHO
CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C	ZINC001438995496	928565371	/nfs/dbraw/zinc/56/53/71/928565371.db2.gz	CTFDYIOTIYJUQU-QWHCGFSZSA-N	1	3	314.430	-1.081	20	0		DAADHO
C[C@@H](NC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C	ZINC001439025953	928583107	/nfs/dbraw/zinc/58/31/07/928583107.db2.gz	MJXUDTFOPVAARV-DGCLKSJQSA-N	1	3	314.430	-1.128	20	0		DAADHO
C[C@H](NC[C@H](O)CNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C	ZINC001439025930	928583654	/nfs/dbraw/zinc/58/36/54/928583654.db2.gz	MJXUDTFOPVAARV-AAEUAGOBSA-N	1	3	314.430	-1.128	20	0		DAADHO
C[C@@H](NC[C@H](O)CNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C	ZINC001439025961	928583946	/nfs/dbraw/zinc/58/39/46/928583946.db2.gz	MJXUDTFOPVAARV-YPMHNXCESA-N	1	3	314.430	-1.128	20	0		DAADHO
CCN(CC)C(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001439040777	928588219	/nfs/dbraw/zinc/58/82/19/928588219.db2.gz	FEBYUKOEBWCEHJ-QWHCGFSZSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(CC)C(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001439040777	928588228	/nfs/dbraw/zinc/58/82/28/928588228.db2.gz	FEBYUKOEBWCEHJ-QWHCGFSZSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(CC)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001439040772	928588609	/nfs/dbraw/zinc/58/86/09/928588609.db2.gz	FEBYUKOEBWCEHJ-OLZOCXBDSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(CC)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001439040772	928588618	/nfs/dbraw/zinc/58/86/18/928588618.db2.gz	FEBYUKOEBWCEHJ-OLZOCXBDSA-N	1	3	314.430	-1.127	20	0		DAADHO
CN1CC[C@H](N2CC[C@@](O)(CNC(=O)C[NH+]3CCCC3)C2)C1=O	ZINC001440023583	928668829	/nfs/dbraw/zinc/66/88/29/928668829.db2.gz	NFEHGKMVUHKATK-XJKSGUPXSA-N	1	3	324.425	-1.134	20	0		DAADHO
CN1CC[C@@H](N2CC[C@@](O)(CNC(=O)C[NH+]3CCCC3)C2)C1=O	ZINC001440023580	928670207	/nfs/dbraw/zinc/67/02/07/928670207.db2.gz	NFEHGKMVUHKATK-CZUORRHYSA-N	1	3	324.425	-1.134	20	0		DAADHO
C[C@@H]([NH2+]CCN(CCO)C(=O)CN1CC[C@@H](C)C1)C(N)=O	ZINC001440204021	928705101	/nfs/dbraw/zinc/70/51/01/928705101.db2.gz	GISGYQIOGLUAFB-VXGBXAGGSA-N	1	3	300.403	-1.388	20	0		DAADHO
CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC(N)=O)[C@@H](C)C1	ZINC001440592861	928732710	/nfs/dbraw/zinc/73/27/10/928732710.db2.gz	AYKPLCVFEMONKD-QWRGUYRKSA-N	1	3	313.402	-1.040	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC(N)=O)[C@@H](C)C1	ZINC001440592861	928732717	/nfs/dbraw/zinc/73/27/17/928732717.db2.gz	AYKPLCVFEMONKD-QWRGUYRKSA-N	1	3	313.402	-1.040	20	0		DAADHO
CNC(=O)CNCC1(O)CCN(C(=O)CC[NH+](C)C)CC1	ZINC001440622830	928735514	/nfs/dbraw/zinc/73/55/14/928735514.db2.gz	HUUXHHNIODIQBI-UHFFFAOYSA-N	1	3	300.403	-1.373	20	0		DAADHO
C[C@H](CN1CCOCC1)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21	ZINC001441319625	928782417	/nfs/dbraw/zinc/78/24/17/928782417.db2.gz	KVPOCEZNYLKGDJ-SYQHCUMBSA-N	1	3	324.425	-1.266	20	0		DAADHO
C[C@H](CN1CCOCC1)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21	ZINC001441319625	928782428	/nfs/dbraw/zinc/78/24/28/928782428.db2.gz	KVPOCEZNYLKGDJ-SYQHCUMBSA-N	1	3	324.425	-1.266	20	0		DAADHO
CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCCN1C	ZINC001441717711	928838588	/nfs/dbraw/zinc/83/85/88/928838588.db2.gz	RDHPOAQSMJTKCH-NWDGAFQWSA-N	1	3	300.403	-1.374	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@H](O)CN(C)C(=O)CC[NH+](C)C	ZINC001442003744	928904257	/nfs/dbraw/zinc/90/42/57/928904257.db2.gz	XQQHYVLBPULACG-JTQLQIEISA-N	1	3	317.390	-2.197	20	0		DAADHO
CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001442002361	928904864	/nfs/dbraw/zinc/90/48/64/928904864.db2.gz	VSYLVJCXGLUHJU-CYBMUJFWSA-N	1	3	314.430	-1.175	20	0		DAADHO
CN(C[C@H](O)CN[C@H]1CCCN(C)C1=O)C(=O)CC[NH+](C)C	ZINC001442003331	928905173	/nfs/dbraw/zinc/90/51/73/928905173.db2.gz	WOGHJJGSLMHFHH-OLZOCXBDSA-N	1	3	314.430	-1.032	20	0		DAADHO
CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(=O)NC)N(C)C	ZINC001442011041	928907613	/nfs/dbraw/zinc/90/76/13/928907613.db2.gz	PFTQOOOMTVEUMM-UWVGGRQHSA-N	1	3	301.391	-1.124	20	0		DAADHO
CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(=O)NC)N(C)C	ZINC001442011046	928908697	/nfs/dbraw/zinc/90/86/97/928908697.db2.gz	PFTQOOOMTVEUMM-ZJUUUORDSA-N	1	3	301.391	-1.124	20	0		DAADHO
CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC(N)=O	ZINC001442033884	928913120	/nfs/dbraw/zinc/91/31/20/928913120.db2.gz	MPUGZDUIACPZTE-JTQLQIEISA-N	1	3	317.390	-2.070	20	0		DAADHO
CN(C[C@@H](O)CNCC(=O)NC1CC1)C(=O)C12CC[NH+](CC1)C2	ZINC001442046458	928917171	/nfs/dbraw/zinc/91/71/71/928917171.db2.gz	RVRSPMRLVYIYEV-ZDUSSCGKSA-N	1	3	324.425	-1.230	20	0		DAADHO
C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)C1CC[NH+](C)CC1	ZINC001444661135	929142778	/nfs/dbraw/zinc/14/27/78/929142778.db2.gz	COEWWQNXXHIJDF-SNVBAGLBSA-N	1	3	313.402	-1.040	20	0		DAADHO
CNC(=O)CNC[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2	ZINC001445201571	929184945	/nfs/dbraw/zinc/18/49/45/929184945.db2.gz	GUFQBHGYGFTEAO-LBPRGKRZSA-N	1	3	312.414	-1.325	20	0		DAADHO
O=C(CNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)NC1CC1	ZINC001445266929	929207566	/nfs/dbraw/zinc/20/75/66/929207566.db2.gz	XQTQMYIGFANHIL-GFCCVEGCSA-N	1	3	310.398	-1.573	20	0		DAADHO
CCN(C)C(=O)CNC[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001445276447	929210178	/nfs/dbraw/zinc/21/01/78/929210178.db2.gz	MJADCNAVZCXCQA-OLZOCXBDSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(C)C(=O)CNC[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001445276447	929210189	/nfs/dbraw/zinc/21/01/89/929210189.db2.gz	MJADCNAVZCXCQA-OLZOCXBDSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(C)C(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001445276450	929210814	/nfs/dbraw/zinc/21/08/14/929210814.db2.gz	MJADCNAVZCXCQA-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(C)C(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001445276450	929210823	/nfs/dbraw/zinc/21/08/23/929210823.db2.gz	MJADCNAVZCXCQA-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001445278022	929213429	/nfs/dbraw/zinc/21/34/29/929213429.db2.gz	WZQIIKYRVKHIKW-NWDGAFQWSA-N	1	3	300.403	-1.517	20	0		DAADHO
CCN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001445278022	929213441	/nfs/dbraw/zinc/21/34/41/929213441.db2.gz	WZQIIKYRVKHIKW-NWDGAFQWSA-N	1	3	300.403	-1.517	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)C1CC[NH+](C)CC1	ZINC001445431834	929220006	/nfs/dbraw/zinc/22/00/06/929220006.db2.gz	BUHICVAYNPHQLP-SNVBAGLBSA-N	1	3	313.402	-1.122	20	0		DAADHO
CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NC)N(C)C	ZINC001445478196	929222377	/nfs/dbraw/zinc/22/23/77/929222377.db2.gz	CJEOHEUJGPAFRH-ZJUUUORDSA-N	1	3	301.391	-1.124	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2	ZINC001445483544	929225622	/nfs/dbraw/zinc/22/56/22/929225622.db2.gz	UHCNXOJCCUSCDG-SNVBAGLBSA-N	1	3	311.386	-1.368	20	0		DAADHO
CCCN(C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O	ZINC001445663549	929249328	/nfs/dbraw/zinc/24/93/28/929249328.db2.gz	OGSSVBUWRCJYCZ-OLZOCXBDSA-N	1	3	314.430	-1.032	20	0		DAADHO
CNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1	ZINC001447289662	929380507	/nfs/dbraw/zinc/38/05/07/929380507.db2.gz	YMIOITCCZPJILB-FRRDWIJNSA-N	1	3	312.414	-1.110	20	0		DAADHO
CNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1	ZINC001447289662	929380510	/nfs/dbraw/zinc/38/05/10/929380510.db2.gz	YMIOITCCZPJILB-FRRDWIJNSA-N	1	3	312.414	-1.110	20	0		DAADHO
CNC(=O)CNC[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1	ZINC001447294473	929381108	/nfs/dbraw/zinc/38/11/08/929381108.db2.gz	AHQNYOZIQPDPEH-CHWSQXEVSA-N	1	3	312.414	-1.109	20	0		DAADHO
CNC(=O)CNC[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1	ZINC001447294473	929381120	/nfs/dbraw/zinc/38/11/20/929381120.db2.gz	AHQNYOZIQPDPEH-CHWSQXEVSA-N	1	3	312.414	-1.109	20	0		DAADHO
CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1	ZINC001447289664	929381669	/nfs/dbraw/zinc/38/16/69/929381669.db2.gz	YMIOITCCZPJILB-JHJVBQTASA-N	1	3	312.414	-1.110	20	0		DAADHO
CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1	ZINC001447289664	929381680	/nfs/dbraw/zinc/38/16/80/929381680.db2.gz	YMIOITCCZPJILB-JHJVBQTASA-N	1	3	312.414	-1.110	20	0		DAADHO
COC[C@@H](O)CN1CCC(CO)(NC(=O)CC[NH+](C)C)CC1	ZINC001447733038	929409726	/nfs/dbraw/zinc/40/97/26/929409726.db2.gz	UXRRTACBUMQXQZ-ZDUSSCGKSA-N	1	3	317.430	-1.112	20	0		DAADHO
CNC(=O)CN[C@@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001448461743	929454638	/nfs/dbraw/zinc/45/46/38/929454638.db2.gz	ROOLADHEMIVYFM-RYUDHWBXSA-N	1	3	300.403	-1.110	20	0		DAADHO
CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001449141840	929551006	/nfs/dbraw/zinc/55/10/06/929551006.db2.gz	AEERDURIMZCUII-AAEUAGOBSA-N	1	3	314.430	-1.128	20	0		DAADHO
C[C@H](NC[C@@H](O)CN(C)C(=O)CC[NH+](C)C)C(=O)N(C)C	ZINC001449148420	929553657	/nfs/dbraw/zinc/55/36/57/929553657.db2.gz	TVZNXBUPEKXMJQ-NWDGAFQWSA-N	1	3	302.419	-1.176	20	0		DAADHO
CNC(=O)CNC[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2	ZINC001449148846	929554496	/nfs/dbraw/zinc/55/44/96/929554496.db2.gz	VUDQCVVKNZRXMT-LBPRGKRZSA-N	1	3	312.414	-1.230	20	0		DAADHO
CN(CCn1cncn1)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001449250294	929575531	/nfs/dbraw/zinc/57/55/31/929575531.db2.gz	WMHVMPHJEVCRGL-ZIAGYGMSSA-N	1	3	324.429	-1.019	20	0		DAADHO
CN(CCn1cncn1)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001449250294	929575539	/nfs/dbraw/zinc/57/55/39/929575539.db2.gz	WMHVMPHJEVCRGL-ZIAGYGMSSA-N	1	3	324.429	-1.019	20	0		DAADHO
CN(CCn1cncn1)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001449250290	929576927	/nfs/dbraw/zinc/57/69/27/929576927.db2.gz	WMHVMPHJEVCRGL-UONOGXRCSA-N	1	3	324.429	-1.019	20	0		DAADHO
CN(CCn1cncn1)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001449250290	929576935	/nfs/dbraw/zinc/57/69/35/929576935.db2.gz	WMHVMPHJEVCRGL-UONOGXRCSA-N	1	3	324.429	-1.019	20	0		DAADHO
C[C@H](C(=O)NCC[NH2+]CCNC(=O)[C@@H](C)N(C)C)N(C)C	ZINC001523665874	929729408	/nfs/dbraw/zinc/72/94/08/929729408.db2.gz	BHVCMGWWVKFYPV-VXGBXAGGSA-N	1	3	301.435	-1.291	20	0		DAADHO
CC(C)[C@@H](N)C(=O)NCC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC001549045541	930047671	/nfs/dbraw/zinc/04/76/71/930047671.db2.gz	CWOZEKQUXYMFPM-GXTWGEPZSA-N	1	3	311.430	-1.408	20	0		DAADHO
CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1	ZINC001549050345	930050357	/nfs/dbraw/zinc/05/03/57/930050357.db2.gz	LGPXTECQGICXNU-BZPMIXESSA-N	1	3	322.413	-1.227	20	0		DAADHO
NCc1cn([C@@H]2CCN(C(=O)[C@@]34C[NH2+]C[C@@H]3COC4)C2)nn1	ZINC001550096602	930062517	/nfs/dbraw/zinc/06/25/17/930062517.db2.gz	NDWBYGZNHZNQPS-MPKXVKKWSA-N	1	3	306.370	-1.254	20	0		DAADHO
N[C@@H]1C[C@@H]2CN(C(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)CCN2C1=O	ZINC001552376085	930072789	/nfs/dbraw/zinc/07/27/89/930072789.db2.gz	OPYCCNBUWWPDOF-HOSYDEDBSA-N	1	3	318.381	-1.129	20	0		DAADHO
CN(C)CCN1C[C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)CC1=O	ZINC000424046459	545776236	/nfs/dbraw/zinc/77/62/36/545776236.db2.gz	QOHJSQYOQDRFGM-FRRDWIJNSA-N	1	3	310.398	-1.404	20	0		DAADHO
CN1CCC[C@@H](N2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)C1	ZINC000642925086	372863903	/nfs/dbraw/zinc/86/39/03/372863903.db2.gz	YPLHAEMTHWZIDS-CYBMUJFWSA-N	1	3	309.414	-1.687	20	0		DAADHO
CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C)C[C@H]3C[NH3+])C[C@@H]21	ZINC000570919174	372920144	/nfs/dbraw/zinc/92/01/44/372920144.db2.gz	FRPDXVLPRWLBKB-UPJWGTAASA-N	1	3	309.414	-1.750	20	0		DAADHO
CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@@H](CN)C1	ZINC000575160352	372921526	/nfs/dbraw/zinc/92/15/26/372921526.db2.gz	YLCFABZJAGJQRX-MJBXVCDLSA-N	1	3	323.441	-1.169	20	0		DAADHO
CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@@H](CN)C1	ZINC000575160352	372921535	/nfs/dbraw/zinc/92/15/35/372921535.db2.gz	YLCFABZJAGJQRX-MJBXVCDLSA-N	1	3	323.441	-1.169	20	0		DAADHO
C[NH+](C)CCCS(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1	ZINC000601343414	372941094	/nfs/dbraw/zinc/94/10/94/372941094.db2.gz	NMMHPXBXFBYEIT-GHMZBOCLSA-N	1	3	304.416	-1.488	20	0		DAADHO
CN(CC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1	ZINC000595983534	373008138	/nfs/dbraw/zinc/00/81/38/373008138.db2.gz	DPOZOTAWDIJVER-WDEREUQCSA-N	1	3	311.386	-2.223	20	0		DAADHO
CN(CC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1	ZINC000595983531	373008450	/nfs/dbraw/zinc/00/84/50/373008450.db2.gz	DPOZOTAWDIJVER-GHMZBOCLSA-N	1	3	311.386	-2.223	20	0		DAADHO
Cn1cnc2c1c(=O)n(CCC[N@H+](C)C[C@@H](O)CN)c(=O)n2C	ZINC000563216339	373114085	/nfs/dbraw/zinc/11/40/85/373114085.db2.gz	YXTZEWNEDRENSW-JTQLQIEISA-N	1	3	324.385	-1.925	20	0		DAADHO
Cn1cnc2c1c(=O)n(CCC[N@@H+](C)C[C@@H](O)CN)c(=O)n2C	ZINC000563216339	373114092	/nfs/dbraw/zinc/11/40/92/373114092.db2.gz	YXTZEWNEDRENSW-JTQLQIEISA-N	1	3	324.385	-1.925	20	0		DAADHO
CN1CCN(C[C@H](O)C[NH2+][C@H](CO)CN2CCCC2)CC1	ZINC000571283909	373142050	/nfs/dbraw/zinc/14/20/50/373142050.db2.gz	FLYFIRINFVCIBA-LSDHHAIUSA-N	1	3	300.447	-1.359	20	0		DAADHO
CN(CCOCC[NH3+])C(=O)C(=O)N(C)C[C@@H]1CCCN1C	ZINC000629809582	373411136	/nfs/dbraw/zinc/41/11/36/373411136.db2.gz	SCCLYJXRIQARGC-LBPRGKRZSA-N	1	3	300.403	-1.027	20	0		DAADHO
CN(CCOCC[NH3+])C(=O)C(=O)N(C)C[C@H]1CCCN1C	ZINC000629809581	373411373	/nfs/dbraw/zinc/41/13/73/373411373.db2.gz	SCCLYJXRIQARGC-GFCCVEGCSA-N	1	3	300.403	-1.027	20	0		DAADHO
CN(CCOCC[NH3+])CCn1cnc2c1c(=O)n(C)c(=O)n2C	ZINC000629577967	373399492	/nfs/dbraw/zinc/39/94/92/373399492.db2.gz	MBZSWZOIUVPCOE-UHFFFAOYSA-N	1	3	324.385	-1.659	20	0		DAADHO
CN(C)CCN1C[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)CC1=O	ZINC000152722736	373513711	/nfs/dbraw/zinc/51/37/11/373513711.db2.gz	GVOISBDZHXEOEK-IUODEOHRSA-N	1	3	314.430	-1.175	20	0		DAADHO
CC[NH+]1CCC(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1	ZINC000578884364	373586221	/nfs/dbraw/zinc/58/62/21/373586221.db2.gz	LMIKOTFGWYIIKS-UONOGXRCSA-N	1	3	323.441	-1.169	20	0		DAADHO
CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(C)C[C@H]1CN	ZINC000568235193	373541888	/nfs/dbraw/zinc/54/18/88/373541888.db2.gz	JPUJRKFCQLNKQI-CYBMUJFWSA-N	1	3	313.446	-1.064	20	0		DAADHO
CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN(C)C[C@H]1CN	ZINC000568235193	373541897	/nfs/dbraw/zinc/54/18/97/373541897.db2.gz	JPUJRKFCQLNKQI-CYBMUJFWSA-N	1	3	313.446	-1.064	20	0		DAADHO
C[NH2+]CCN(C)C(=O)C(=O)N(CCN(C)C)CCN(C)C	ZINC000574269033	373559744	/nfs/dbraw/zinc/55/97/44/373559744.db2.gz	YRIIXVKKJVVCTI-UHFFFAOYSA-N	1	3	301.435	-1.384	20	0		DAADHO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC2CNC2)CC1	ZINC000577047953	373575146	/nfs/dbraw/zinc/57/51/46/373575146.db2.gz	ACYSOFVYANFYQG-CQSZACIVSA-N	1	3	323.441	-1.297	20	0		DAADHO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC2CNC2)CC1	ZINC000577047953	373575156	/nfs/dbraw/zinc/57/51/56/373575156.db2.gz	ACYSOFVYANFYQG-CQSZACIVSA-N	1	3	323.441	-1.297	20	0		DAADHO
CCN1CCC(NC(=O)C(=O)NCCOCC[NH2+]C)CC1	ZINC000627292858	373632028	/nfs/dbraw/zinc/63/20/28/373632028.db2.gz	GDNOQVFKXXIAMW-UHFFFAOYSA-N	1	3	300.403	-1.061	20	0		DAADHO
CN1CC[C@H]2CN(C(=O)C(=O)N3CCO[C@@H](C[NH+](C)C)C3)C[C@H]21	ZINC000581653035	373602353	/nfs/dbraw/zinc/60/23/53/373602353.db2.gz	CKUMHGCBVFAIHP-MELADBBJSA-N	1	3	324.425	-1.062	20	0		DAADHO
C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2COCCN2)C1	ZINC000627357847	373670726	/nfs/dbraw/zinc/67/07/26/373670726.db2.gz	SFLKSILMRYXMJG-OLZOCXBDSA-N	1	3	312.414	-1.061	20	0		DAADHO
C[NH2+]CCOCCNC(=O)C(=O)N(C)C[C@H]1CCCN1C	ZINC000627461808	373677493	/nfs/dbraw/zinc/67/74/93/373677493.db2.gz	ZVNBJIOSVLMLHB-GFCCVEGCSA-N	1	3	300.403	-1.109	20	0		DAADHO
C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1	ZINC000627461402	373677788	/nfs/dbraw/zinc/67/77/88/373677788.db2.gz	OKQYXQBMHYPOJY-GFCCVEGCSA-N	1	3	300.403	-1.109	20	0		DAADHO
C[NH2+]CCOCCNC(=O)C(=O)N(C)CCN1CCCC1	ZINC000627463556	373679644	/nfs/dbraw/zinc/67/96/44/373679644.db2.gz	AVVBTTOWJJVRND-UHFFFAOYSA-N	1	3	300.403	-1.107	20	0		DAADHO
CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCN(C)C[C@H]1CN	ZINC000631907162	373697970	/nfs/dbraw/zinc/69/79/70/373697970.db2.gz	FDDHJRUBMHXARR-GFCCVEGCSA-N	1	3	305.448	-1.510	20	0		DAADHO
CN(C)CCN1C[C@H](C(=O)NC[C@H]2C[NH2+]CCN2C)CC1=O	ZINC000649365962	545803160	/nfs/dbraw/zinc/80/31/60/545803160.db2.gz	AAFGZQQLFFMEHU-CHWSQXEVSA-N	1	3	311.430	-1.584	20	0		DAADHO
C[C@H]1CC[C@H](NC(=O)C(=O)NCCOCCN(C)C)C[NH2+]1	ZINC000627394129	545828839	/nfs/dbraw/zinc/82/88/39/545828839.db2.gz	XWRUYKMAFFAZST-RYUDHWBXSA-N	1	3	300.403	-1.063	20	0		DAADHO
CCO[C@@H]1CN(C(=O)CNC(=O)[C@@H](N)C(C)C)C[C@H]1C[NH3+]	ZINC000653247835	409339732	/nfs/dbraw/zinc/33/97/32/409339732.db2.gz	TYMYUXVBZZJHDU-WZRBSPASSA-N	1	3	300.403	-1.092	20	0		DAADHO
COCCN(C)CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1	ZINC000354695856	409480637	/nfs/dbraw/zinc/48/06/37/409480637.db2.gz	RUOJAOQFZIZDSP-GFCCVEGCSA-N	1	3	300.403	-1.061	20	0		DAADHO
CN(C)CCN(CCN(C)C)C(=O)C(=O)NC[C@H]1CCC[NH2+]1	ZINC000515048636	409557946	/nfs/dbraw/zinc/55/79/46/409557946.db2.gz	LKLSDZGCLCUYQS-CYBMUJFWSA-N	1	3	313.446	-1.194	20	0		DAADHO
COCCCN(C)CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000659698372	409519730	/nfs/dbraw/zinc/51/97/30/409519730.db2.gz	KATVRQCXZNKSIV-UHFFFAOYSA-N	1	3	312.414	-1.061	20	0		DAADHO
CCCN1CC[C@H](NC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1	ZINC000659738184	409533777	/nfs/dbraw/zinc/53/37/77/409533777.db2.gz	BEQLPUSKJBSGLM-QWHCGFSZSA-N	1	3	311.430	-1.312	20	0		DAADHO
CCCN1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C1	ZINC000659711383	409694441	/nfs/dbraw/zinc/69/44/41/409694441.db2.gz	XMAQBJCIDRMQJI-CYBMUJFWSA-N	1	3	311.430	-1.392	20	0		DAADHO
CN1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)C1	ZINC000659731503	409697210	/nfs/dbraw/zinc/69/72/10/409697210.db2.gz	KTYJMACHAKPSNA-UONOGXRCSA-N	1	3	323.441	-1.297	20	0		DAADHO
C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CCO1	ZINC000649274888	409654351	/nfs/dbraw/zinc/65/43/51/409654351.db2.gz	ZEPXENDVACGBQY-AVGNSLFASA-N	1	3	312.414	-1.029	20	0		DAADHO
C[C@@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)CCN(C)C	ZINC000581538785	409666607	/nfs/dbraw/zinc/66/66/07/409666607.db2.gz	LIWTXGKRGSGPCK-LBPRGKRZSA-N	1	3	301.435	-1.351	20	0		DAADHO
C[NH2+]C[C@H](C)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1	ZINC000659688646	409689615	/nfs/dbraw/zinc/68/96/15/409689615.db2.gz	DPTJCNWLWHWTCJ-LBPRGKRZSA-N	1	3	313.446	-1.147	20	0		DAADHO
C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1	ZINC000659709750	409689867	/nfs/dbraw/zinc/68/98/67/409689867.db2.gz	LNSLBWDCNHTDHE-OLZOCXBDSA-N	1	3	313.446	-1.290	20	0		DAADHO
C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1	ZINC000659709753	409690036	/nfs/dbraw/zinc/69/00/36/409690036.db2.gz	LNSLBWDCNHTDHE-STQMWFEESA-N	1	3	313.446	-1.290	20	0		DAADHO
CN1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C3)C2)CC1	ZINC000659682656	409690360	/nfs/dbraw/zinc/69/03/60/409690360.db2.gz	MVZQYYQAEFHURS-STQMWFEESA-N	1	3	323.441	-1.251	20	0		DAADHO
CN(CCNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1)C1CC1	ZINC000343295690	263238557	/nfs/dbraw/zinc/23/85/57/263238557.db2.gz	KTAWNHJAHDGXPQ-ZDUSSCGKSA-N	1	3	310.398	-1.260	20	0		DAADHO
CN(C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1)[C@H]1C[NH2+]C[C@@H]1O	ZINC000419694323	263282623	/nfs/dbraw/zinc/28/26/23/263282623.db2.gz	KOGNFJUROAWGFN-XBFCOCLRSA-N	1	3	324.425	-1.089	20	0		DAADHO
CN(CCOCC[N@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O	ZINC000512169326	263300306	/nfs/dbraw/zinc/30/03/06/263300306.db2.gz	XCKIXSRNFPTLRU-AAVRWANBSA-N	1	3	304.387	-1.614	20	0		DAADHO
CN(CCOCC[N@@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O	ZINC000512169326	263300307	/nfs/dbraw/zinc/30/03/07/263300307.db2.gz	XCKIXSRNFPTLRU-AAVRWANBSA-N	1	3	304.387	-1.614	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCOCC1	ZINC000517015724	263312069	/nfs/dbraw/zinc/31/20/69/263312069.db2.gz	DSGCPLBMPNIZNP-UHFFFAOYSA-N	1	3	300.403	-1.203	20	0		DAADHO
CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1	ZINC000357930966	263312884	/nfs/dbraw/zinc/31/28/84/263312884.db2.gz	WCFORBFNTCSUGC-UPJWGTAASA-N	1	3	312.414	-1.232	20	0		DAADHO
CCN1CCN(CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1	ZINC000351517840	263314557	/nfs/dbraw/zinc/31/45/57/263314557.db2.gz	BGDMPPNYBAKAPO-CYBMUJFWSA-N	1	3	311.430	-1.392	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CC[C@H](C(N)=O)O1	ZINC000584012746	331562365	/nfs/dbraw/zinc/56/23/65/331562365.db2.gz	ZDLSRODMUUEPEH-VXGBXAGGSA-N	1	3	300.403	-1.029	20	0		DAADHO
N[C@H]1C[C@@H]2CN(C(=O)NCCCN3CC[NH2+]CC3)CCN2C1=O	ZINC000566689251	332536722	/nfs/dbraw/zinc/53/67/22/332536722.db2.gz	MXFWRNDKTKYJIU-OLZOCXBDSA-N	1	3	324.429	-1.765	20	0		DAADHO
N[C@@H]1C[C@H]2CN(C(=O)NCCCN3CC[NH2+]CC3)CCN2C1=O	ZINC000566689320	332536831	/nfs/dbraw/zinc/53/68/31/332536831.db2.gz	MXFWRNDKTKYJIU-QWHCGFSZSA-N	1	3	324.429	-1.765	20	0		DAADHO
CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1	ZINC000582231683	336285975	/nfs/dbraw/zinc/28/59/75/336285975.db2.gz	IYROZVDOQYXWKH-LBPRGKRZSA-N	1	3	323.397	-2.161	20	0		DAADHO
COCC[N@H+](C)CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1	ZINC000582253065	336395448	/nfs/dbraw/zinc/39/54/48/336395448.db2.gz	BWXPXRJUZDSPBD-NWDGAFQWSA-N	1	3	313.402	-1.482	20	0		DAADHO
COCC[N@@H+](C)CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1	ZINC000582253065	336395449	/nfs/dbraw/zinc/39/54/49/336395449.db2.gz	BWXPXRJUZDSPBD-NWDGAFQWSA-N	1	3	313.402	-1.482	20	0		DAADHO
C[NH+](C)C1(CNC(=O)C(=O)N(CCN)CCO)CCCC1	ZINC000418837357	337422515	/nfs/dbraw/zinc/42/25/15/337422515.db2.gz	SNHPMTSMDNMRFC-UHFFFAOYSA-N	1	3	300.403	-1.243	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1nccn1C	ZINC000553194468	341419670	/nfs/dbraw/zinc/41/96/70/341419670.db2.gz	APRJHPRREFTSQX-UHFFFAOYSA-N	1	3	324.429	-1.012	20	0		DAADHO
CN(CCN1CCCC1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+]	ZINC000566091942	341547416	/nfs/dbraw/zinc/54/74/16/341547416.db2.gz	VLFDFFRUOGOVJO-CYBMUJFWSA-N	1	3	311.430	-1.358	20	0		DAADHO
COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C1	ZINC001198699376	782159372	/nfs/dbraw/zinc/15/93/72/782159372.db2.gz	OVTJHXOGWQCSJW-BFHYXJOUSA-N	1	3	315.414	-1.238	20	0		DAADHO
COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C1	ZINC001198699376	782159381	/nfs/dbraw/zinc/15/93/81/782159381.db2.gz	OVTJHXOGWQCSJW-BFHYXJOUSA-N	1	3	315.414	-1.238	20	0		DAADHO
CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1C[C@H](O)C[NH2+]1	ZINC000357930969	545738399	/nfs/dbraw/zinc/73/83/99/545738399.db2.gz	WCFORBFNTCSUGC-XQQFMLRXSA-N	1	3	312.414	-1.232	20	0		DAADHO
CN1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@H](CN)C1	ZINC000656039826	545813845	/nfs/dbraw/zinc/81/38/45/545813845.db2.gz	IHLHUFFPWNNBJZ-FRRDWIJNSA-N	1	3	311.430	-1.456	20	0		DAADHO
CN(C)CCn1ccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)n1	ZINC000351553545	545849834	/nfs/dbraw/zinc/84/98/34/545849834.db2.gz	FGJZVROVDPKSET-NSHDSACASA-N	1	3	308.386	-0.749	20	0		DAADHO
O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1	ZINC000970717912	662368519	/nfs/dbraw/zinc/36/85/19/662368519.db2.gz	PBVPAVLOXMFZPY-GFCCVEGCSA-N	1	3	323.397	-1.176	20	0		DAADHO
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCNCCNCC1	ZINC000926337490	662397363	/nfs/dbraw/zinc/39/73/63/662397363.db2.gz	PXVLAOMBNJOZQE-ZIAGYGMSSA-N	1	3	323.441	-1.297	20	0		DAADHO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCNCCNCC1	ZINC000926337490	662397364	/nfs/dbraw/zinc/39/73/64/662397364.db2.gz	PXVLAOMBNJOZQE-ZIAGYGMSSA-N	1	3	323.441	-1.297	20	0		DAADHO
C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCNCCNCC3)CC[C@H]21	ZINC000926398484	662403554	/nfs/dbraw/zinc/40/35/54/662403554.db2.gz	VSCRNOLMLDJZIV-UONOGXRCSA-N	1	3	323.441	-1.440	20	0		DAADHO
C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCNCCNCC3)CC[C@H]21	ZINC000926398484	662403559	/nfs/dbraw/zinc/40/35/59/662403559.db2.gz	VSCRNOLMLDJZIV-UONOGXRCSA-N	1	3	323.441	-1.440	20	0		DAADHO
C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCNCCNCC3)C2)C1	ZINC000926411129	662405860	/nfs/dbraw/zinc/40/58/60/662405860.db2.gz	UKIYWQOOZMEVHI-MRXNPFEDSA-N	1	3	323.441	-1.438	20	0		DAADHO
C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCNCCNCC3)C2)C1	ZINC000926411129	662405862	/nfs/dbraw/zinc/40/58/62/662405862.db2.gz	UKIYWQOOZMEVHI-MRXNPFEDSA-N	1	3	323.441	-1.438	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCOCC3)C2)C1	ZINC001019772813	662535705	/nfs/dbraw/zinc/53/57/05/662535705.db2.gz	SHCRPFZIAVCKRL-KBPBESRZSA-N	1	3	324.425	-1.013	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCOCC3)C2)C1	ZINC001019772813	662535707	/nfs/dbraw/zinc/53/57/07/662535707.db2.gz	SHCRPFZIAVCKRL-KBPBESRZSA-N	1	3	324.425	-1.013	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN([C@H]4CCC(=O)NC4=O)C[C@H]32)C1	ZINC001026145821	662542714	/nfs/dbraw/zinc/54/27/14/662542714.db2.gz	MGVOBBGWZXKKLF-BYNIDDHOSA-N	1	3	320.393	-1.210	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN([C@H]4CCC(=O)NC4=O)C[C@H]32)C1	ZINC001026145821	662542716	/nfs/dbraw/zinc/54/27/16/662542716.db2.gz	MGVOBBGWZXKKLF-BYNIDDHOSA-N	1	3	320.393	-1.210	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1	ZINC001026145824	662543123	/nfs/dbraw/zinc/54/31/23/662543123.db2.gz	MGVOBBGWZXKKLF-YCGPCKTQSA-N	1	3	320.393	-1.210	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1	ZINC001026145824	662543125	/nfs/dbraw/zinc/54/31/25/662543125.db2.gz	MGVOBBGWZXKKLF-YCGPCKTQSA-N	1	3	320.393	-1.210	20	0		DAADHO
[NH3+]CCNC(=O)[C@H]1CCCN(CCN2CCCS2(=O)=O)C1	ZINC000903713240	662790346	/nfs/dbraw/zinc/79/03/46/662790346.db2.gz	JEPPHIPVNSCITH-LBPRGKRZSA-N	1	3	318.443	-1.191	20	0		DAADHO
COC[C@H]1CNCCN1C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000905023781	662794732	/nfs/dbraw/zinc/79/47/32/662794732.db2.gz	VPCZNMSQFJSNIL-UONOGXRCSA-N	1	3	322.409	-1.094	20	0		DAADHO
C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C[C@H]1[NH3+]	ZINC000911147012	663137302	/nfs/dbraw/zinc/13/73/02/663137302.db2.gz	DQNWNVKABWAZLI-YVECIDJPSA-N	1	3	310.398	-1.229	20	0		DAADHO
C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1	ZINC000911148477	663137753	/nfs/dbraw/zinc/13/77/53/663137753.db2.gz	PESLKOBAYMIASG-RFGFWPKPSA-N	1	3	324.425	-1.063	20	0		DAADHO
O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2	ZINC000911147814	663137780	/nfs/dbraw/zinc/13/77/80/663137780.db2.gz	JQZFDONIBOBSID-QSLWVIQJSA-N	1	3	322.409	-1.025	20	0		DAADHO
[NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1	ZINC000911148934	663137854	/nfs/dbraw/zinc/13/78/54/663137854.db2.gz	SYSUEHMUCAEKTH-RWMBFGLXSA-N	1	3	310.398	-1.085	20	0		DAADHO
O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2	ZINC000911147813	663137874	/nfs/dbraw/zinc/13/78/74/663137874.db2.gz	JQZFDONIBOBSID-PEBLQZBPSA-N	1	3	322.409	-1.025	20	0		DAADHO
O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCNCCNCC1	ZINC000911269553	663140472	/nfs/dbraw/zinc/14/04/72/663140472.db2.gz	LMMMQVSTRSSUHI-ZIAGYGMSSA-N	1	3	323.441	-1.249	20	0		DAADHO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCNCCNCC1	ZINC000911269553	663140473	/nfs/dbraw/zinc/14/04/73/663140473.db2.gz	LMMMQVSTRSSUHI-ZIAGYGMSSA-N	1	3	323.441	-1.249	20	0		DAADHO
O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCNCCNCC1	ZINC000911223681	663140503	/nfs/dbraw/zinc/14/05/03/663140503.db2.gz	RHIJYMOUYQLIOY-AWEZNQCLSA-N	1	3	323.441	-1.392	20	0		DAADHO
O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCNCCNCC1	ZINC000911223681	663140505	/nfs/dbraw/zinc/14/05/05/663140505.db2.gz	RHIJYMOUYQLIOY-AWEZNQCLSA-N	1	3	323.441	-1.392	20	0		DAADHO
CCC[N@H+](CC)CCNC(=O)C(=O)N1CCNCCNCC1	ZINC000911255905	663141039	/nfs/dbraw/zinc/14/10/39/663141039.db2.gz	NYGRFXMOQCATEU-UHFFFAOYSA-N	1	3	313.446	-1.144	20	0		DAADHO
CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCNCCNCC1	ZINC000911255905	663141043	/nfs/dbraw/zinc/14/10/43/663141043.db2.gz	NYGRFXMOQCATEU-UHFFFAOYSA-N	1	3	313.446	-1.144	20	0		DAADHO
CC1(C)CCN(CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1	ZINC000911312073	663141494	/nfs/dbraw/zinc/14/14/94/663141494.db2.gz	UHWYAUKPTDNEDT-LBPRGKRZSA-N	1	3	312.414	-1.061	20	0		DAADHO
C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CNCCO3)C[C@]2(C)C1	ZINC000911311262	663142032	/nfs/dbraw/zinc/14/20/32/663142032.db2.gz	QOMUCRJDHCRFEZ-XUJVJEKNSA-N	1	3	310.398	-1.499	20	0		DAADHO
C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CNCCO3)C[C@]2(C)C1	ZINC000911311262	663142033	/nfs/dbraw/zinc/14/20/33/663142033.db2.gz	QOMUCRJDHCRFEZ-XUJVJEKNSA-N	1	3	310.398	-1.499	20	0		DAADHO
CCO[C@H](CNC(=O)C(=O)N1CCCNCC1)C[NH+](C)C	ZINC000911436505	663144492	/nfs/dbraw/zinc/14/44/92/663144492.db2.gz	UJRBFPAYORAOOD-GFCCVEGCSA-N	1	3	300.403	-1.109	20	0		DAADHO
COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1	ZINC000911555475	663148771	/nfs/dbraw/zinc/14/87/71/663148771.db2.gz	BLYCHKCLGUHGGM-HAQNSBGRSA-N	1	3	300.403	-1.124	20	0		DAADHO
NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1	ZINC000996622906	663489877	/nfs/dbraw/zinc/48/98/77/663489877.db2.gz	TYXQHACWHJBRRL-CHWSQXEVSA-N	1	3	310.398	-1.085	20	0		DAADHO
CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)C1CC([NH2+]CC(N)=O)C1	ZINC000999142961	663556661	/nfs/dbraw/zinc/55/66/61/663556661.db2.gz	IGFXUJBKZSBHBC-RRHJKOLHSA-N	1	3	322.409	-1.086	20	0		DAADHO
CN(CCNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)CCOCCO	ZINC000922129228	663623024	/nfs/dbraw/zinc/62/30/24/663623024.db2.gz	POGJSGQIJISGDE-HNNXBMFYSA-N	1	3	317.430	-1.110	20	0		DAADHO
CN(CCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)CCOCCO	ZINC000922129228	663623026	/nfs/dbraw/zinc/62/30/26/663623026.db2.gz	POGJSGQIJISGDE-HNNXBMFYSA-N	1	3	317.430	-1.110	20	0		DAADHO
CN1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1	ZINC000946918722	663698279	/nfs/dbraw/zinc/69/82/79/663698279.db2.gz	PXYPOZOLUMZDQY-CHWSQXEVSA-N	1	3	324.425	-1.088	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnnn1C	ZINC000810394621	663848836	/nfs/dbraw/zinc/84/88/36/663848836.db2.gz	DRVZNEWTEHHGFD-UHFFFAOYSA-N	1	3	311.390	-1.295	20	0		DAADHO
[NH3+]CC12CC(C1)CN2C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1	ZINC000851685789	663896328	/nfs/dbraw/zinc/89/63/28/663896328.db2.gz	WFHMPKAPXHIJLX-BTJONVMOSA-N	1	3	322.409	-1.085	20	0		DAADHO
C[NH+](C)CCn1cc(CNS(=O)(=O)N2CCNCC2)nn1	ZINC000864623838	663929029	/nfs/dbraw/zinc/92/90/29/663929029.db2.gz	PSPNTGIIVKBHFO-UHFFFAOYSA-N	1	3	317.419	-1.921	20	0		DAADHO
O=C1COC[C@@]2(C[NH2+]C[C@H](O)CN3CCCC3)COCCN12	ZINC000872232820	663939343	/nfs/dbraw/zinc/93/93/43/663939343.db2.gz	HNLMBQUAOAKXEZ-DZGCQCFKSA-N	1	3	313.398	-1.340	20	0		DAADHO
CN(C)C[C@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000876841322	663948701	/nfs/dbraw/zinc/94/87/01/663948701.db2.gz	OVZZTCZEBGGQDA-VHSXEESVSA-N	1	3	311.352	-1.172	20	0		DAADHO
O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCNCC1	ZINC000923673148	663952441	/nfs/dbraw/zinc/95/24/41/663952441.db2.gz	ZPGYNFYGCUVUNC-LBPRGKRZSA-N	1	3	318.443	-1.115	20	0		DAADHO
[NH3+][C@@H]1CN(S(=O)(=O)N2CCNCC2)C[C@H]1C(F)(F)F	ZINC000923678106	663952696	/nfs/dbraw/zinc/95/26/96/663952696.db2.gz	SDIGYNHYOMXIDB-HTQZYQBOSA-N	1	3	302.322	-1.042	20	0		DAADHO
C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1	ZINC000884559987	663965150	/nfs/dbraw/zinc/96/51/50/663965150.db2.gz	KNGKSMSRYYIUNC-XQHKEYJVSA-N	1	3	310.398	-1.086	20	0		DAADHO
O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2	ZINC000884560355	663965175	/nfs/dbraw/zinc/96/51/75/663965175.db2.gz	VOTVVUSGUCXIBE-QNWHQSFQSA-N	1	3	308.382	-1.462	20	0		DAADHO
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC[C@@H]21	ZINC000884725395	663966250	/nfs/dbraw/zinc/96/62/50/663966250.db2.gz	IKWHWFYNKBGIJM-AGIUHOORSA-N	1	3	310.398	-1.356	20	0		DAADHO
C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC[C@@H]21	ZINC000884725395	663966253	/nfs/dbraw/zinc/96/62/53/663966253.db2.gz	IKWHWFYNKBGIJM-AGIUHOORSA-N	1	3	310.398	-1.356	20	0		DAADHO
O=C(C(=O)N1CCNCCNCC1)N1CC[C@@H]([NH+]2CCCC2)C1	ZINC000926325206	663982141	/nfs/dbraw/zinc/98/21/41/663982141.db2.gz	GRXZTAQABUEOAD-CQSZACIVSA-N	1	3	323.441	-1.296	20	0		DAADHO
CN(C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CCO1	ZINC000926335849	663982265	/nfs/dbraw/zinc/98/22/65/663982265.db2.gz	VFEHUCAYMIHIJO-QWHCGFSZSA-N	1	3	312.414	-1.027	20	0		DAADHO
C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCNCCNCC1	ZINC000926337487	663982276	/nfs/dbraw/zinc/98/22/76/663982276.db2.gz	PXVLAOMBNJOZQE-KBPBESRZSA-N	1	3	323.441	-1.297	20	0		DAADHO
C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCNCCNCC1	ZINC000926337487	663982278	/nfs/dbraw/zinc/98/22/78/663982278.db2.gz	PXVLAOMBNJOZQE-KBPBESRZSA-N	1	3	323.441	-1.297	20	0		DAADHO
CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1	ZINC000926328701	663982283	/nfs/dbraw/zinc/98/22/83/663982283.db2.gz	RYPSZXHTEQHMMO-HNNXBMFYSA-N	1	3	312.414	-1.147	20	0		DAADHO
C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCNCCNCC1	ZINC000926337488	663982520	/nfs/dbraw/zinc/98/25/20/663982520.db2.gz	PXVLAOMBNJOZQE-KGLIPLIRSA-N	1	3	323.441	-1.297	20	0		DAADHO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCNCCNCC1	ZINC000926337488	663982524	/nfs/dbraw/zinc/98/25/24/663982524.db2.gz	PXVLAOMBNJOZQE-KGLIPLIRSA-N	1	3	323.441	-1.297	20	0		DAADHO
CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1	ZINC000926328704	663982641	/nfs/dbraw/zinc/98/26/41/663982641.db2.gz	RYPSZXHTEQHMMO-OAHLLOKOSA-N	1	3	312.414	-1.147	20	0		DAADHO
C[C@H]1CN(C(=O)C(=O)N2CCNCCNCC2)C[C@H]1[NH+](C)C	ZINC000926340256	663982675	/nfs/dbraw/zinc/98/26/75/663982675.db2.gz	FBJZTSYHNCFKAU-QWHCGFSZSA-N	1	3	311.430	-1.584	20	0		DAADHO
CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1	ZINC000926358580	663983839	/nfs/dbraw/zinc/98/38/39/663983839.db2.gz	BCALFPQYCUINGC-HNNXBMFYSA-N	1	3	312.414	-1.149	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cn(C)cn1	ZINC000933871518	664001805	/nfs/dbraw/zinc/00/18/05/664001805.db2.gz	MOEBGAOGASXULP-UHFFFAOYSA-N	1	3	324.429	-1.012	20	0		DAADHO
CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1	ZINC000967923721	664467587	/nfs/dbraw/zinc/46/75/87/664467587.db2.gz	BPIPXDXNGMIYAV-VXGBXAGGSA-N	1	3	323.397	-1.177	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)Cc2c[nH]cn2)C1	ZINC001058948985	677689854	/nfs/dbraw/zinc/68/98/54/677689854.db2.gz	INXFPXCAJUVWSH-GFCCVEGCSA-N	1	3	323.397	-1.159	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)Cc2c[nH]cn2)C1	ZINC001058948985	677689855	/nfs/dbraw/zinc/68/98/55/677689855.db2.gz	INXFPXCAJUVWSH-GFCCVEGCSA-N	1	3	323.397	-1.159	20	0		DAADHO
C[NH+](C)CCC(=O)NCCN(CCO)C(=O)Cc1c[nH]cn1	ZINC001058949100	677689927	/nfs/dbraw/zinc/68/99/27/677689927.db2.gz	IWLPUXHPJUBDSV-UHFFFAOYSA-N	1	3	311.386	-1.159	20	0		DAADHO
C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1O	ZINC001081733881	678103170	/nfs/dbraw/zinc/10/31/70/678103170.db2.gz	ZXVVWDTUVAEQQE-YPMHNXCESA-N	1	3	323.397	-1.161	20	0		DAADHO
CC[C@@H](C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1)N(C)C	ZINC001044043855	678410620	/nfs/dbraw/zinc/41/06/20/678410620.db2.gz	FJXKTJXHQMDOAH-LBPRGKRZSA-N	1	3	314.430	-1.032	20	0		DAADHO
CC[C@H](C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1)N(C)C	ZINC001045713531	678469917	/nfs/dbraw/zinc/46/99/17/678469917.db2.gz	JMCPKOQMARHYCW-GFCCVEGCSA-N	1	3	314.430	-1.032	20	0		DAADHO
C[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1NCC(N)=O	ZINC001054653730	678634192	/nfs/dbraw/zinc/63/41/92/678634192.db2.gz	FMQHBYSCFPWWHQ-AAEUAGOBSA-N	1	3	322.413	-1.020	20	0		DAADHO
O=C(N1CCO[C@@H](CN[C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2	ZINC001051904494	678778775	/nfs/dbraw/zinc/77/87/75/678778775.db2.gz	OOFCNHYEIBJMFV-STQMWFEESA-N	1	3	322.409	-1.212	20	0		DAADHO
C[NH+](C)CCOCC(=O)N1CCCO[C@H](CNCC(N)=O)C1	ZINC001201864689	782222220	/nfs/dbraw/zinc/22/22/20/782222220.db2.gz	ZKINCGNBHUFXGZ-GFCCVEGCSA-N	1	3	316.402	-1.743	20	0		DAADHO
NC(=O)CNC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1	ZINC001201870926	782223479	/nfs/dbraw/zinc/22/34/79/782223479.db2.gz	DUJBEIAHHYOLMS-LBPRGKRZSA-N	1	3	310.398	-1.225	20	0		DAADHO
CNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1	ZINC001202060225	782227136	/nfs/dbraw/zinc/22/71/36/782227136.db2.gz	VPWCFNZKPTXTIS-STQMWFEESA-N	1	3	312.414	-1.109	20	0		DAADHO
CNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1	ZINC001202060225	782227141	/nfs/dbraw/zinc/22/71/41/782227141.db2.gz	VPWCFNZKPTXTIS-STQMWFEESA-N	1	3	312.414	-1.109	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1	ZINC001202667411	782255508	/nfs/dbraw/zinc/25/55/08/782255508.db2.gz	KFKYJHZVTRNHEO-UHFFFAOYSA-N	1	3	322.369	-1.012	20	0		DAADHO
C[NH+](C)CCN1C[C@@]2(CCN(C[C@H](O)CO)C2)OCC1=O	ZINC001274564632	782283592	/nfs/dbraw/zinc/28/35/92/782283592.db2.gz	KMAQIBDQCUGWHP-JSGCOSHPSA-N	1	3	301.387	-1.796	20	0		DAADHO
C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21	ZINC001115126722	782644022	/nfs/dbraw/zinc/64/40/22/782644022.db2.gz	SSOQEGBGCWNXFI-KZVDOYCCSA-N	1	3	310.398	-1.501	20	0		DAADHO
C[C@H]([NH3+])CCNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1	ZINC001119294980	782751378	/nfs/dbraw/zinc/75/13/78/782751378.db2.gz	PRXDYRDLIPZSGW-LBPRGKRZSA-N	1	3	313.446	-1.018	20	0		DAADHO
CN(CCNCCNS(C)(=O)=O)C(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001266989158	775193429	/nfs/dbraw/zinc/19/34/29/775193429.db2.gz	UDFDVGGQFCQLLK-LBPRGKRZSA-N	1	3	320.459	-1.075	20	0		DAADHO
CN(CCNCCNS(C)(=O)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001266989158	775193436	/nfs/dbraw/zinc/19/34/36/775193436.db2.gz	UDFDVGGQFCQLLK-LBPRGKRZSA-N	1	3	320.459	-1.075	20	0		DAADHO
CNC(=O)NC(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001267455661	775241213	/nfs/dbraw/zinc/24/12/13/775241213.db2.gz	ARBQDTVWGPZUPK-NSHDSACASA-N	1	3	313.402	-1.168	20	0		DAADHO
CNC(=O)NC(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001267455661	775241219	/nfs/dbraw/zinc/24/12/19/775241219.db2.gz	ARBQDTVWGPZUPK-NSHDSACASA-N	1	3	313.402	-1.168	20	0		DAADHO
CC[C@H](C(=O)N[C@H](C)C[NH2+]CCN1C(=O)CNC1=O)N(C)C	ZINC001268670058	775414576	/nfs/dbraw/zinc/41/45/76/775414576.db2.gz	RMEUKKMPAABHEF-GHMZBOCLSA-N	1	3	313.402	-1.027	20	0		DAADHO
CN(C)CCN1CC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)OCC1=O	ZINC001269247708	775451267	/nfs/dbraw/zinc/45/12/67/775451267.db2.gz	JGNCJZUVWSIPIU-ZDUSSCGKSA-N	1	3	324.425	-1.061	20	0		DAADHO
CN(C)CCN1CC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)OCC1=O	ZINC001269247708	775451273	/nfs/dbraw/zinc/45/12/73/775451273.db2.gz	JGNCJZUVWSIPIU-ZDUSSCGKSA-N	1	3	324.425	-1.061	20	0		DAADHO
CNC(=O)CNCCN(CCO)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001272243488	775663154	/nfs/dbraw/zinc/66/31/54/775663154.db2.gz	TUBAWQHXGFFFJT-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
CNC(=O)CNCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC001272243488	775663162	/nfs/dbraw/zinc/66/31/62/775663162.db2.gz	TUBAWQHXGFFFJT-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
CNC(=O)CNCCN(CCO)C(=O)CC1CC[NH+](C)CC1	ZINC001272271332	775711030	/nfs/dbraw/zinc/71/10/30/775711030.db2.gz	JKJHXKAOGHDEKO-UHFFFAOYSA-N	1	3	314.430	-1.125	20	0		DAADHO
CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001127474824	775807985	/nfs/dbraw/zinc/80/79/85/775807985.db2.gz	PIMPCIHPUYCLLM-LLVKDONJSA-N	1	3	311.386	-1.510	20	0		DAADHO
CNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001127474826	775808090	/nfs/dbraw/zinc/80/80/90/775808090.db2.gz	PIMPCIHPUYCLLM-NSHDSACASA-N	1	3	311.386	-1.510	20	0		DAADHO
O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001127479722	775808649	/nfs/dbraw/zinc/80/86/49/775808649.db2.gz	GVXPRLXGNHWNHV-VXGBXAGGSA-N	1	3	308.382	-1.161	20	0		DAADHO
O=C(CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)N1CCOCC1	ZINC001127473697	775808828	/nfs/dbraw/zinc/80/88/28/775808828.db2.gz	COERMGJWSHCRID-CQSZACIVSA-N	1	3	324.425	-1.107	20	0		DAADHO
O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@H]1C[NH+]2CCC1CC2	ZINC001127479721	775808839	/nfs/dbraw/zinc/80/88/39/775808839.db2.gz	GVXPRLXGNHWNHV-RYUDHWBXSA-N	1	3	308.382	-1.161	20	0		DAADHO
C[NH+](C)CCn1ccc(C(=O)NCCN[C@@H]2CCNC2=O)n1	ZINC001127558243	775811527	/nfs/dbraw/zinc/81/15/27/775811527.db2.gz	HWPNWIDPWPZBEN-LLVKDONJSA-N	1	3	308.386	-1.347	20	0		DAADHO
COC(=O)CS(=O)(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1	ZINC001238243700	775839463	/nfs/dbraw/zinc/83/94/63/775839463.db2.gz	VELSUUGFBXLSPT-JTQLQIEISA-N	1	3	305.400	-1.047	20	0		DAADHO
COC(=O)CS(=O)(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1	ZINC001238243716	775839691	/nfs/dbraw/zinc/83/96/91/775839691.db2.gz	VELSUUGFBXLSPT-SNVBAGLBSA-N	1	3	305.400	-1.047	20	0		DAADHO
NC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001127779158	775862781	/nfs/dbraw/zinc/86/27/81/775862781.db2.gz	JQTBKRCDYOEFJI-UWVGGRQHSA-N	1	3	313.358	-2.250	20	0		DAADHO
NC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1	ZINC001127779158	775862790	/nfs/dbraw/zinc/86/27/90/775862790.db2.gz	JQTBKRCDYOEFJI-UWVGGRQHSA-N	1	3	313.358	-2.250	20	0		DAADHO
O=C(CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC1	ZINC001127779324	775864100	/nfs/dbraw/zinc/86/41/00/775864100.db2.gz	LGPWOCAJQIEOQF-CHWSQXEVSA-N	1	3	310.398	-1.212	20	0		DAADHO
O=C(CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC1	ZINC001127779324	775864110	/nfs/dbraw/zinc/86/41/10/775864110.db2.gz	LGPWOCAJQIEOQF-CHWSQXEVSA-N	1	3	310.398	-1.212	20	0		DAADHO
O=C(CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC1CC1	ZINC001127777789	775864809	/nfs/dbraw/zinc/86/48/09/775864809.db2.gz	BQNARQAIKAHUHT-STQMWFEESA-N	1	3	310.398	-1.166	20	0		DAADHO
O=C(CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)NC1CC1	ZINC001127777789	775864817	/nfs/dbraw/zinc/86/48/17/775864817.db2.gz	BQNARQAIKAHUHT-STQMWFEESA-N	1	3	310.398	-1.166	20	0		DAADHO
CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](O)C3)C2)C1	ZINC001273069252	775977710	/nfs/dbraw/zinc/97/77/10/775977710.db2.gz	GUPHHQCCVSFFQU-CYBMUJFWSA-N	1	3	324.425	-1.325	20	0		DAADHO
CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](O)C3)C2)C1	ZINC001273069252	775977714	/nfs/dbraw/zinc/97/77/14/775977714.db2.gz	GUPHHQCCVSFFQU-CYBMUJFWSA-N	1	3	324.425	-1.325	20	0		DAADHO
CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O	ZINC001128552133	775984679	/nfs/dbraw/zinc/98/46/79/775984679.db2.gz	KPHLGFOJJLTLJL-ZJUUUORDSA-N	1	3	319.381	-1.045	20	0		DAADHO
NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1	ZINC001086152331	776245244	/nfs/dbraw/zinc/24/52/44/776245244.db2.gz	AWXTVWIYMPQGFQ-JUDIDYJCSA-N	1	3	322.409	-1.181	20	0		DAADHO
CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC(N)=O)C1	ZINC001129329097	776256679	/nfs/dbraw/zinc/25/66/79/776256679.db2.gz	URRNRIAJSAWGPW-LLVKDONJSA-N	1	3	313.402	-1.135	20	0		DAADHO
CC(C)C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC(N)=O)C1	ZINC001129329097	776256683	/nfs/dbraw/zinc/25/66/83/776256683.db2.gz	URRNRIAJSAWGPW-LLVKDONJSA-N	1	3	313.402	-1.135	20	0		DAADHO
CC[NH+]1CCC(NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CC1	ZINC001169244726	776286433	/nfs/dbraw/zinc/28/64/33/776286433.db2.gz	SYTOKWCHSYWYQX-INMIOYRUSA-N	1	3	318.414	-1.096	20	0		DAADHO
[NH3+]CCCC[C@H](NC(=O)[C@@H]1CNCCN1)C(=O)N1CCCC1	ZINC001157380129	776386113	/nfs/dbraw/zinc/38/61/13/776386113.db2.gz	WJPKTFHUYRXXPY-STQMWFEESA-N	1	3	311.430	-1.216	20	0		DAADHO
CN(C)[C@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)C1CC1	ZINC001129444010	776470998	/nfs/dbraw/zinc/47/09/98/776470998.db2.gz	OIDRIKFCFXYNBV-LBPRGKRZSA-N	1	3	311.386	-1.416	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C	ZINC001129448577	776471264	/nfs/dbraw/zinc/47/12/64/776471264.db2.gz	BTQPVJOGMYOTDP-GXSJLCMTSA-N	1	3	313.402	-1.124	20	0		DAADHO
CC[C@H](C(=O)NCC[NH2+]CCNS(=O)(=O)CC)N(C)C	ZINC001130205882	776497155	/nfs/dbraw/zinc/49/71/55/776497155.db2.gz	ZNYBMSXJQYDCSH-LLVKDONJSA-N	1	3	308.448	-1.028	20	0		DAADHO
CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)N(C)C	ZINC001130200621	776497989	/nfs/dbraw/zinc/49/79/89/776497989.db2.gz	LSGZAWWPOCORST-VHSXEESVSA-N	1	3	301.391	-1.124	20	0		DAADHO
CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131521949	776571530	/nfs/dbraw/zinc/57/15/30/776571530.db2.gz	MVGFVRMJBANBEG-BVWOZKJXSA-N	1	3	310.398	-1.310	20	0		DAADHO
CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1	ZINC001131521949	776571537	/nfs/dbraw/zinc/57/15/37/776571537.db2.gz	MVGFVRMJBANBEG-BVWOZKJXSA-N	1	3	310.398	-1.310	20	0		DAADHO
O=C(NCCN[C@H]1CCNC1=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131519281	776571872	/nfs/dbraw/zinc/57/18/72/776571872.db2.gz	CJYFPSKBUGUPGY-WVIDZAQPSA-N	1	3	308.382	-1.556	20	0		DAADHO
O=C(NCCN[C@H]1CCNC1=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1	ZINC001131519281	776571878	/nfs/dbraw/zinc/57/18/78/776571878.db2.gz	CJYFPSKBUGUPGY-WVIDZAQPSA-N	1	3	308.382	-1.556	20	0		DAADHO
O=C(CNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC1	ZINC001131520312	776573537	/nfs/dbraw/zinc/57/35/37/776573537.db2.gz	XGLKQIDUTLLQRV-UYJPIKCFSA-N	1	3	322.409	-1.212	20	0		DAADHO
O=C(CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCC1	ZINC001131520312	776573542	/nfs/dbraw/zinc/57/35/42/776573542.db2.gz	XGLKQIDUTLLQRV-UYJPIKCFSA-N	1	3	322.409	-1.212	20	0		DAADHO
O=C(NCCN[C@H]1CCCNC1=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131520237	776574691	/nfs/dbraw/zinc/57/46/91/776574691.db2.gz	VQKGBMKFQKATSA-BWAOXVRWSA-N	1	3	322.409	-1.166	20	0		DAADHO
O=C(NCCN[C@H]1CCCNC1=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1	ZINC001131520237	776574693	/nfs/dbraw/zinc/57/46/93/776574693.db2.gz	VQKGBMKFQKATSA-BWAOXVRWSA-N	1	3	322.409	-1.166	20	0		DAADHO
NC(=O)NC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1	ZINC001131790248	776588456	/nfs/dbraw/zinc/58/84/56/776588456.db2.gz	JMIFZCMZHFXPPH-LBPRGKRZSA-N	1	3	311.386	-1.239	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1	ZINC001132995241	776648021	/nfs/dbraw/zinc/64/80/21/776648021.db2.gz	OVUJTVLNNAYZPG-JTQLQIEISA-N	1	3	313.402	-1.122	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CCC[NH+](C)C	ZINC001133052051	776650463	/nfs/dbraw/zinc/65/04/63/776650463.db2.gz	ZYYLNZZVWYAFMN-SNVBAGLBSA-N	1	3	301.391	-1.122	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)NCCNC(=O)CCC[NH+](C)C	ZINC001133052050	776650661	/nfs/dbraw/zinc/65/06/61/776650661.db2.gz	ZYYLNZZVWYAFMN-JTQLQIEISA-N	1	3	301.391	-1.122	20	0		DAADHO
CN(CCNCCNC(=O)CCC[NH+](C)C)S(C)(=O)=O	ZINC001133040255	776650794	/nfs/dbraw/zinc/65/07/94/776650794.db2.gz	IEFNXYXLSADOKI-UHFFFAOYSA-N	1	3	308.448	-1.075	20	0		DAADHO
C[C@H]1CN(C(=O)CNCCNC(=O)CC[NH+](C)C)CCO1	ZINC001133291189	776662587	/nfs/dbraw/zinc/66/25/87/776662587.db2.gz	KWMBLUNGIHAJPF-LBPRGKRZSA-N	1	3	300.403	-1.109	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C1CC[NH+](C)CC1	ZINC001133285981	776663747	/nfs/dbraw/zinc/66/37/47/776663747.db2.gz	QTOXGRXPQUSMPM-SNVBAGLBSA-N	1	3	313.402	-1.122	20	0		DAADHO
C[NH+](C)CCC(=O)NCCNCC(=O)NC[C@H]1CCCO1	ZINC001133294621	776665634	/nfs/dbraw/zinc/66/56/34/776665634.db2.gz	NQCFZIMPNMXVCC-GFCCVEGCSA-N	1	3	300.403	-1.061	20	0		DAADHO
C[NH+](C)CCC(=O)NCCNCCN1CCCS1(=O)=O	ZINC001133297968	776665684	/nfs/dbraw/zinc/66/56/84/776665684.db2.gz	VFHSIGAWDVMLKB-UHFFFAOYSA-N	1	3	306.432	-1.321	20	0		DAADHO
C[C@H]1CCCN1CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O	ZINC001133823661	776678525	/nfs/dbraw/zinc/67/85/25/776678525.db2.gz	LOIYBTVYVGVZQO-NSHDSACASA-N	1	3	311.386	-1.272	20	0		DAADHO
C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O	ZINC001133823660	776678775	/nfs/dbraw/zinc/67/87/75/776678775.db2.gz	LOIYBTVYVGVZQO-LLVKDONJSA-N	1	3	311.386	-1.272	20	0		DAADHO
C[C@@H]1CCN(CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)C1	ZINC001133845682	776679255	/nfs/dbraw/zinc/67/92/55/776679255.db2.gz	LPFMIFZLRWOFEF-GFCCVEGCSA-N	1	3	320.459	-1.075	20	0		DAADHO
C[C@@H]1CCN(CC(=O)NCC[NH2+]CCNS(C)(=O)=O)C1	ZINC001133850668	776679656	/nfs/dbraw/zinc/67/96/56/776679656.db2.gz	PLJGLNMTIYMQMK-LLVKDONJSA-N	1	3	306.432	-1.417	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C	ZINC001133870633	776680481	/nfs/dbraw/zinc/68/04/81/776680481.db2.gz	UZERSURZBFOFCZ-QWRGUYRKSA-N	1	3	313.402	-1.264	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C	ZINC001133870633	776680492	/nfs/dbraw/zinc/68/04/92/776680492.db2.gz	UZERSURZBFOFCZ-QWRGUYRKSA-N	1	3	313.402	-1.264	20	0		DAADHO
C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCCNS(C)(=O)=O	ZINC001133862647	776681646	/nfs/dbraw/zinc/68/16/46/776681646.db2.gz	DYGJOPVMNOXIIS-WDEREUQCSA-N	1	3	306.432	-1.561	20	0		DAADHO
C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCCNS(C)(=O)=O	ZINC001133862647	776681650	/nfs/dbraw/zinc/68/16/50/776681650.db2.gz	DYGJOPVMNOXIIS-WDEREUQCSA-N	1	3	306.432	-1.561	20	0		DAADHO
CCN(CC)C[C@@H](F)C(=O)NCCC[NH2+]CC(=O)NC(N)=O	ZINC001159148367	776698035	/nfs/dbraw/zinc/69/80/35/776698035.db2.gz	DPXFJDZDHAJUSN-SNVBAGLBSA-N	1	3	319.381	-1.043	20	0		DAADHO
C[NH+](C)CCn1cc(C(=O)NCCNCC(=O)N2CCC2)cn1	ZINC001135114643	776735131	/nfs/dbraw/zinc/73/51/31/776735131.db2.gz	LIEJLZGRGACHAA-UHFFFAOYSA-N	1	3	322.413	-1.004	20	0		DAADHO
CCN(CC)CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O	ZINC001135510632	776760387	/nfs/dbraw/zinc/76/03/87/776760387.db2.gz	CZICVHBYTQXGPT-UHFFFAOYSA-N	1	3	308.448	-1.075	20	0		DAADHO
CN(C)C(=O)CNCCNC(=O)COC1CC[NH+](C)CC1	ZINC001135959590	776776664	/nfs/dbraw/zinc/77/66/64/776776664.db2.gz	QBTRTXVRJGUULZ-UHFFFAOYSA-N	1	3	300.403	-1.109	20	0		DAADHO
CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)C[C@@H]21	ZINC001119705818	779511826	/nfs/dbraw/zinc/51/18/26/779511826.db2.gz	ZXGGMJNGFSOOKL-XUJVJEKNSA-N	1	3	310.398	-1.539	20	0		DAADHO
O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCNCCNCC1	ZINC001120419573	779520135	/nfs/dbraw/zinc/52/01/35/779520135.db2.gz	BVAMWVFUBZWLEF-UHFFFAOYSA-N	1	3	323.441	-1.249	20	0		DAADHO
C[C@@H](C(=O)NCC[NH2+]CCNC(=O)[C@H](C)N(C)C)N(C)C	ZINC001122450379	779566652	/nfs/dbraw/zinc/56/66/52/779566652.db2.gz	BHVCMGWWVKFYPV-RYUDHWBXSA-N	1	3	301.435	-1.291	20	0		DAADHO
CN1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C	ZINC001124867419	779603890	/nfs/dbraw/zinc/60/38/90/779603890.db2.gz	VPUHOGNIAWLFLU-LBPRGKRZSA-N	1	3	323.397	-1.616	20	0		DAADHO
CCOCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001151049619	779669541	/nfs/dbraw/zinc/66/95/41/779669541.db2.gz	UPXRZFGYXRRLAB-GFCCVEGCSA-N	1	3	300.403	-1.203	20	0		DAADHO
CCOCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001151049619	779669545	/nfs/dbraw/zinc/66/95/45/779669545.db2.gz	UPXRZFGYXRRLAB-GFCCVEGCSA-N	1	3	300.403	-1.203	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NC[C@@H]2CCCO2)C1	ZINC001151049819	779670643	/nfs/dbraw/zinc/67/06/43/779670643.db2.gz	ZMCWQVLUAGTWAB-STQMWFEESA-N	1	3	312.414	-1.061	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NC[C@@H]2CCCO2)C1	ZINC001151049819	779670649	/nfs/dbraw/zinc/67/06/49/779670649.db2.gz	ZMCWQVLUAGTWAB-STQMWFEESA-N	1	3	312.414	-1.061	20	0		DAADHO
C[C@@H]1CN(C(=O)CNCCNC(=O)[C@H]2CC[N@H+](C)C2)CCO1	ZINC001151064967	779671701	/nfs/dbraw/zinc/67/17/01/779671701.db2.gz	GJVPUUIEOZFCPS-OLZOCXBDSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[C@@H]1CN(C(=O)CNCCNC(=O)[C@H]2CC[N@@H+](C)C2)CCO1	ZINC001151064967	779671702	/nfs/dbraw/zinc/67/17/02/779671702.db2.gz	GJVPUUIEOZFCPS-OLZOCXBDSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC[C@H]2CCCO2)C1	ZINC001151049816	779671800	/nfs/dbraw/zinc/67/18/00/779671800.db2.gz	ZMCWQVLUAGTWAB-CHWSQXEVSA-N	1	3	312.414	-1.061	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC[C@H]2CCCO2)C1	ZINC001151049816	779671805	/nfs/dbraw/zinc/67/18/05/779671805.db2.gz	ZMCWQVLUAGTWAB-CHWSQXEVSA-N	1	3	312.414	-1.061	20	0		DAADHO
CN[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1	ZINC001157379650	779753416	/nfs/dbraw/zinc/75/34/16/779753416.db2.gz	PIDMWAVDRHWEBC-RYUDHWBXSA-N	1	3	300.403	-1.197	20	0		DAADHO
N[C@H]1CN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C[C@H]1F	ZINC001157531243	779756075	/nfs/dbraw/zinc/75/60/75/779756075.db2.gz	OFJNLKVWTBXFRV-BBBLOLIVSA-N	1	3	309.349	-1.568	20	0		DAADHO
CC1([NH3+])CN(C(=O)[C@@H](N)CCCNC(=O)c2cnccn2)C1	ZINC001157628684	779757690	/nfs/dbraw/zinc/75/76/90/779757690.db2.gz	JKBXOGWFFQCEDE-JTQLQIEISA-N	1	3	306.370	-1.127	20	0		DAADHO
CN(C[C@H]1CNCCO1)C(=O)[C@@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001157716172	779757946	/nfs/dbraw/zinc/75/79/46/779757946.db2.gz	MEWNOMOMRRLHOT-NEPJUHHUSA-N	1	3	310.398	-1.451	20	0		DAADHO
C[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)C[C@@H]1[NH3+]	ZINC001157799715	779758568	/nfs/dbraw/zinc/75/85/68/779758568.db2.gz	RDICBRZZEOWMOR-MXWKQRLJSA-N	1	3	301.412	-1.041	20	0		DAADHO
[NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2COC3(CNC3)CN2)CC1	ZINC001157739812	779758625	/nfs/dbraw/zinc/75/86/25/779758625.db2.gz	KAKNILPXMSZQHT-AAEUAGOBSA-N	1	3	300.378	-1.004	20	0		DAADHO
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCNC[C@@H]1c1ccccc1	ZINC001157973351	779762628	/nfs/dbraw/zinc/76/26/28/779762628.db2.gz	RTYDWINOAJIPSW-FPMFFAJLSA-N	1	3	320.393	-1.016	20	0		DAADHO
CCOC(=O)[C@H]1CNCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001157998810	779763819	/nfs/dbraw/zinc/76/38/19/779763819.db2.gz	IDEIBGCSPDFFQN-LALPHHSUSA-N	1	3	310.398	-1.451	20	0		DAADHO
O=C([C@@H]1CC[C@@]2(C1)CNCCO2)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158091697	779765578	/nfs/dbraw/zinc/76/55/78/779765578.db2.gz	HAVWDTVTUDARQC-DAXOMENPSA-N	1	3	322.409	-1.164	20	0		DAADHO
NCc1nnnn1-c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2	ZINC001158077494	779766101	/nfs/dbraw/zinc/76/61/01/779766101.db2.gz	SGBQPJLMYALPFN-UHFFFAOYSA-N	1	3	303.330	-1.649	20	0		DAADHO
O=C([C@@H]1CCC2(CNC2)O1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158109892	779767229	/nfs/dbraw/zinc/76/72/29/779767229.db2.gz	FKXUGPKWBWDPKX-ZBEGNZNMSA-N	1	3	320.393	-1.555	20	0		DAADHO
O=C([C@H]1CCC2(CNC2)O1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158109887	779767384	/nfs/dbraw/zinc/76/73/84/779767384.db2.gz	FKXUGPKWBWDPKX-BZNIZROVSA-N	1	3	320.393	-1.555	20	0		DAADHO
O=C([C@@H]1CNC[C@@H](F)C1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158112158	779768000	/nfs/dbraw/zinc/76/80/00/779768000.db2.gz	WFXUSTORJDTOGW-PGUXBMHVSA-N	1	3	310.373	-1.128	20	0		DAADHO
N[C@H](Cc1c[nH]cn1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158111497	779768844	/nfs/dbraw/zinc/76/88/44/779768844.db2.gz	ONUQVUBQIWAHHH-IAQYHMDHSA-N	1	3	318.381	-1.782	20	0		DAADHO
N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158111497	779768850	/nfs/dbraw/zinc/76/88/50/779768850.db2.gz	ONUQVUBQIWAHHH-IAQYHMDHSA-N	1	3	318.381	-1.782	20	0		DAADHO
C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]21)C(N)=O	ZINC001158214868	779770617	/nfs/dbraw/zinc/77/06/17/779770617.db2.gz	DWSCQGIEDPTLCJ-UKKRHICBSA-N	1	3	311.386	-1.953	20	0		DAADHO
CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1	ZINC001158179392	779770814	/nfs/dbraw/zinc/77/08/14/779770814.db2.gz	LJZAKOGGAXFKAG-SFTQSGBHSA-N	1	3	312.414	-1.077	20	0		DAADHO
CC(C)C[C@H](N)C(=O)NCC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1	ZINC001158168299	779770973	/nfs/dbraw/zinc/77/09/73/779770973.db2.gz	SNNNZSQBNRXAFH-FRRDWIJNSA-N	1	3	312.414	-1.077	20	0		DAADHO
N[C@H]1CCCCN(CC(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)C1=O	ZINC001158180128	779771004	/nfs/dbraw/zinc/77/10/04/779771004.db2.gz	VMNILXAMTSWKPF-FRRDWIJNSA-N	1	3	310.398	-1.227	20	0		DAADHO
C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1	ZINC001158179300	779771363	/nfs/dbraw/zinc/77/13/63/779771363.db2.gz	JNVGHQONKIZEJU-QNWHQSFQSA-N	1	3	310.398	-1.229	20	0		DAADHO
COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H](N)C1CC[NH2+]CC1)C2	ZINC001158235265	779772396	/nfs/dbraw/zinc/77/23/96/779772396.db2.gz	BDEDCVMVQWFDFF-HUBLWGQQSA-N	1	3	311.382	-1.039	20	0		DAADHO
COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@H](N)C1CC[NH2+]CC1)C2	ZINC001158235266	779772847	/nfs/dbraw/zinc/77/28/47/779772847.db2.gz	BDEDCVMVQWFDFF-ZOWXZIJZSA-N	1	3	311.382	-1.039	20	0		DAADHO
CN1CCNC[C@@H]1C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001158277111	779773077	/nfs/dbraw/zinc/77/30/77/779773077.db2.gz	IZOSRARQWYFDBV-GFCCVEGCSA-N	1	3	319.413	-1.397	20	0		DAADHO
N[C@@H](CSCC[NH3+])C(=O)N1CCC2(CC1)COCC(=O)N2	ZINC001158326072	779774612	/nfs/dbraw/zinc/77/46/12/779774612.db2.gz	FWSJTUPJQIUJOR-JTQLQIEISA-N	1	3	316.427	-1.487	20	0		DAADHO
[NH3+]C1([C@@H]2CN(C(=O)[C@H]3COC4(CNC4)CN3)C[C@@H]2CF)CC1	ZINC001158568965	779777596	/nfs/dbraw/zinc/77/75/96/779777596.db2.gz	UOTJISPUALJRDF-QJPTWQEYSA-N	1	3	312.389	-1.148	20	0		DAADHO
CNC(=O)CN1CCCC12CCN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)CC2	ZINC001158890184	779781252	/nfs/dbraw/zinc/78/12/52/779781252.db2.gz	BDNRYNJYOGJDKC-JSGCOSHPSA-N	1	3	324.425	-1.088	20	0		DAADHO
CNC(=O)CN1CCCC12CCN(C(=O)[C@]1(N)CC[NH2+]C1)CC2	ZINC001158891179	779782277	/nfs/dbraw/zinc/78/22/77/779782277.db2.gz	VOJQSFPCLQAEBX-INIZCTEOSA-N	1	3	323.441	-1.120	20	0		DAADHO
CNC(=O)CN1CCCC12CCN(C(=O)[C@H]1[NH2+]CC[C@H]1O)CC2	ZINC001158890186	779782299	/nfs/dbraw/zinc/78/22/99/779782299.db2.gz	BDNRYNJYOGJDKC-OCCSQVGLSA-N	1	3	324.425	-1.088	20	0		DAADHO
N[C@H](CCC[NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1	ZINC001158968457	779783530	/nfs/dbraw/zinc/78/35/30/779783530.db2.gz	QXMCZDDTLNFKDC-UPJWGTAASA-N	1	3	320.397	-1.041	20	0		DAADHO
CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H]1C[NH2+]CC12CNC2	ZINC001160438756	779806494	/nfs/dbraw/zinc/80/64/94/779806494.db2.gz	CDUZGRAISMFYRO-MNOVXSKESA-N	1	3	324.381	-1.924	20	0		DAADHO
CS(=O)(=O)N1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)CC1	ZINC001160432279	779806859	/nfs/dbraw/zinc/80/68/59/779806859.db2.gz	SMIVCOUYSVTLGF-LLVKDONJSA-N	1	3	304.416	-1.583	20	0		DAADHO
COC(=O)CN1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1	ZINC001160534494	779811052	/nfs/dbraw/zinc/81/10/52/779811052.db2.gz	JMJCEPSQDCYVPJ-JTQLQIEISA-N	1	3	304.416	-1.677	20	0		DAADHO
O=C([C@H]1C[NH2+]CC12CNC2)N1CCN(c2cccnn2)CC1	ZINC001160570620	779811311	/nfs/dbraw/zinc/81/13/11/779811311.db2.gz	NZAJAYZDXYNSMP-GFCCVEGCSA-N	1	3	302.382	-1.066	20	0		DAADHO
CS(=O)(=O)CCCN1CCN(C(=O)[C@H](N)CCC[NH3+])CC1	ZINC001160585809	779811451	/nfs/dbraw/zinc/81/14/51/779811451.db2.gz	SOBAZOPNODGNKW-GFCCVEGCSA-N	1	3	320.459	-1.369	20	0		DAADHO
COC(=O)C[C@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])CCO1	ZINC001160595495	779812322	/nfs/dbraw/zinc/81/23/22/779812322.db2.gz	CPGWTRYUCMNXOF-UWVGGRQHSA-N	1	3	305.400	-1.204	20	0		DAADHO
O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC(N2CCNC(=O)C2)C1	ZINC001160637800	779813254	/nfs/dbraw/zinc/81/32/54/779813254.db2.gz	TYOVZGKPRNWZNF-ZDUSSCGKSA-N	1	3	321.425	-1.497	20	0		DAADHO
O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CC(N2CCNC(=O)C2)C1	ZINC001160637800	779813261	/nfs/dbraw/zinc/81/32/61/779813261.db2.gz	TYOVZGKPRNWZNF-ZDUSSCGKSA-N	1	3	321.425	-1.497	20	0		DAADHO
O=C([C@H]1C[NH2+]CC12CNC2)N1CCN(C2CCOCC2)C(=O)C1	ZINC001160637144	779813977	/nfs/dbraw/zinc/81/39/77/779813977.db2.gz	RSBPHEORJHTPBJ-CYBMUJFWSA-N	1	3	322.409	-1.355	20	0		DAADHO
C[NH+](C)CCCC[C@H](N)C(=O)N1CC(NS(C)(=O)=O)C1	ZINC001160661791	779814550	/nfs/dbraw/zinc/81/45/50/779814550.db2.gz	QMOZUYMYJGGMCW-NSHDSACASA-N	1	3	306.432	-1.194	20	0		DAADHO
C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1)C(N)=O	ZINC001160650149	779814695	/nfs/dbraw/zinc/81/46/95/779814695.db2.gz	RWYNNZYHBMMZDK-AXTSPUMRSA-N	1	3	317.365	-2.018	20	0		DAADHO
CS(=O)(=O)NC1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1	ZINC001160658582	779815055	/nfs/dbraw/zinc/81/50/55/779815055.db2.gz	WXFMCWBYJHRFQN-NSHDSACASA-N	1	3	316.427	-1.379	20	0		DAADHO
CS(=O)(=O)NC1CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1	ZINC001160658582	779815058	/nfs/dbraw/zinc/81/50/58/779815058.db2.gz	WXFMCWBYJHRFQN-NSHDSACASA-N	1	3	316.427	-1.379	20	0		DAADHO
CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCN2CCC1CC2	ZINC001160725547	779817024	/nfs/dbraw/zinc/81/70/24/779817024.db2.gz	CFNZWHBXMLQEGH-UHFFFAOYSA-N	1	3	304.416	-1.487	20	0		DAADHO
N[C@H](C(=O)N1CCC2(CC1)CNC(=O)CO2)C1CC[NH2+]CC1	ZINC001160771879	779818598	/nfs/dbraw/zinc/81/85/98/779818598.db2.gz	ILILLJPZGPTGID-ZDUSSCGKSA-N	1	3	310.398	-1.179	20	0		DAADHO
C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H](N)CCCNC(N)=O	ZINC001160838852	779822033	/nfs/dbraw/zinc/82/20/33/779822033.db2.gz	OVQZOWYVGKXQSQ-GHMZBOCLSA-N	1	3	301.391	-1.449	20	0		DAADHO
COC(=O)c1cn2c(n1)CN(C(=O)[C@H]1C[NH2+]CC13CNC3)CC2	ZINC001160902042	779823449	/nfs/dbraw/zinc/82/34/49/779823449.db2.gz	KLHMVSVRHOBTAG-SNVBAGLBSA-N	1	3	319.365	-1.179	20	0		DAADHO
O=C([C@H]1COC2(CNC2)CN1)N(c1ncccn1)C1C[NH2+]C1	ZINC001160915862	779823466	/nfs/dbraw/zinc/82/34/66/779823466.db2.gz	PSEPSBHQHQYLDV-LLVKDONJSA-N	1	3	304.354	-1.888	20	0		DAADHO
CCOC(=O)[C@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001161093104	779826302	/nfs/dbraw/zinc/82/63/02/779826302.db2.gz	IEMBKNMBZWJSCF-LALPHHSUSA-N	1	3	311.382	-1.024	20	0		DAADHO
CCOC(=O)[C@H]1COCCN1C(=O)[C@@H](N)CSCC[NH3+]	ZINC001161093765	779826808	/nfs/dbraw/zinc/82/68/08/779826808.db2.gz	WPKXGKHKLNJQLJ-VHSXEESVSA-N	1	3	305.400	-1.204	20	0		DAADHO
COC(=O)[C@]1(N)CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1	ZINC001161138531	779827530	/nfs/dbraw/zinc/82/75/30/779827530.db2.gz	UVBACQYDALKXQF-ABAIWWIYSA-N	1	3	310.398	-1.037	20	0		DAADHO
COC(=O)[C@]1(N)CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1	ZINC001161138531	779827537	/nfs/dbraw/zinc/82/75/37/779827537.db2.gz	UVBACQYDALKXQF-ABAIWWIYSA-N	1	3	310.398	-1.037	20	0		DAADHO
CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H](N)CC[S@@](C)=O	ZINC001161157810	779829797	/nfs/dbraw/zinc/82/97/97/779829797.db2.gz	KJKUTWRBYWSFKS-WVDJIFEKSA-N	1	3	307.416	-1.177	20	0		DAADHO
O=C([C@@H]1C[NH2+]CC12CNC2)N1Cc2ccnn2CC[C@@H]1CO	ZINC001161170082	779830494	/nfs/dbraw/zinc/83/04/94/779830494.db2.gz	ISJBDMDINIMKGS-OLZOCXBDSA-N	1	3	305.382	-1.215	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@](F)(C[NH3+])C1	ZINC001161247084	779831195	/nfs/dbraw/zinc/83/11/95/779831195.db2.gz	WFSCBMBKJQDAAC-UBJUHAIHSA-N	1	3	303.338	-2.407	20	0		DAADHO
O=C([C@H]1C[NH2+]CC12CNC2)N1Cc2ccnn2CC[C@H]1CO	ZINC001161170084	779831586	/nfs/dbraw/zinc/83/15/86/779831586.db2.gz	ISJBDMDINIMKGS-QWHCGFSZSA-N	1	3	305.382	-1.215	20	0		DAADHO
CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)[C@H]1CCC[NH2+]C1	ZINC001161342235	779834491	/nfs/dbraw/zinc/83/44/91/779834491.db2.gz	ZZHHSPRRYKDLRE-DCAQKATOSA-N	1	3	313.402	-1.706	20	0		DAADHO
COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CNCCN1C)CC2	ZINC001161481417	779839998	/nfs/dbraw/zinc/83/99/98/779839998.db2.gz	SLCBXSWADJFTRE-ZOWXZIJZSA-N	1	3	310.398	-1.356	20	0		DAADHO
COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1CNCCN1C)CC2	ZINC001161481416	779840635	/nfs/dbraw/zinc/84/06/35/779840635.db2.gz	SLCBXSWADJFTRE-XUJVJEKNSA-N	1	3	310.398	-1.356	20	0		DAADHO
O=C(NCCC[NH2+][C@H]1CCNC1=O)[C@@H]1CN2CC3CC2(C3)CO1	ZINC001162872261	779862624	/nfs/dbraw/zinc/86/26/24/779862624.db2.gz	MHWGDGZNGOYOSF-BTJONVMOSA-N	1	3	322.409	-1.166	20	0		DAADHO
C[C@H]([NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1)C(N)=O	ZINC001162872209	779863016	/nfs/dbraw/zinc/86/30/16/779863016.db2.gz	KMUGQIZGOKEUIF-DILZAHMFSA-N	1	3	310.398	-1.181	20	0		DAADHO
O=C(NCCC[NH2+][C@@H]1CCNC1=O)[C@@H]1CN2CC3CC2(C3)CO1	ZINC001162872264	779863181	/nfs/dbraw/zinc/86/31/81/779863181.db2.gz	MHWGDGZNGOYOSF-WULFKBJJSA-N	1	3	322.409	-1.166	20	0		DAADHO
O=C(NCCC[NH2+][C@@H]1CCNC1=O)[C@H]1CN2CC3CC2(C3)CO1	ZINC001162872263	779863527	/nfs/dbraw/zinc/86/35/27/779863527.db2.gz	MHWGDGZNGOYOSF-LGESCRJUSA-N	1	3	322.409	-1.166	20	0		DAADHO
CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1	ZINC001162872031	779863698	/nfs/dbraw/zinc/86/36/98/779863698.db2.gz	DMICBVFHJPBWTE-AVERBVTBSA-N	1	3	310.398	-1.309	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1	ZINC001166667923	779892452	/nfs/dbraw/zinc/89/24/52/779892452.db2.gz	LKNAUPWYWPCLNV-LLVKDONJSA-N	1	3	313.402	-1.120	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1	ZINC001209447093	779952099	/nfs/dbraw/zinc/95/20/99/779952099.db2.gz	XAYANRTUYYJTCB-LLVKDONJSA-N	1	3	313.402	-1.026	20	0		DAADHO
NC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001210684445	779963002	/nfs/dbraw/zinc/96/30/02/779963002.db2.gz	GLBXTJWFMMMTIQ-LLVKDONJSA-N	1	3	323.397	-1.142	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NCC(=O)NC(N)=O)C2)C1	ZINC001211065744	779967024	/nfs/dbraw/zinc/96/70/24/779967024.db2.gz	ZDLWAZXCYAUUIA-GHMZBOCLSA-N	1	3	311.386	-1.286	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NCC(=O)NC(N)=O)C2)C1	ZINC001211065744	779967026	/nfs/dbraw/zinc/96/70/26/779967026.db2.gz	ZDLWAZXCYAUUIA-GHMZBOCLSA-N	1	3	311.386	-1.286	20	0		DAADHO
CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H](C)CN1CCOCC1	ZINC001213863782	779984425	/nfs/dbraw/zinc/98/44/25/779984425.db2.gz	SGDVGXPUUDHASO-BFHYXJOUSA-N	1	3	315.414	-1.238	20	0		DAADHO
CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H](C)CN1CCOCC1	ZINC001213863782	779984433	/nfs/dbraw/zinc/98/44/33/779984433.db2.gz	SGDVGXPUUDHASO-BFHYXJOUSA-N	1	3	315.414	-1.238	20	0		DAADHO
CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1)N(C)C	ZINC001214952606	780003948	/nfs/dbraw/zinc/00/39/48/780003948.db2.gz	CZCIIPGKPOSOLQ-GMTAPVOTSA-N	1	3	313.402	-1.042	20	0		DAADHO
CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1	ZINC001216221113	780013037	/nfs/dbraw/zinc/01/30/37/780013037.db2.gz	AYKPLCVFEMONKD-GHMZBOCLSA-N	1	3	313.402	-1.040	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1	ZINC001216221113	780013042	/nfs/dbraw/zinc/01/30/42/780013042.db2.gz	AYKPLCVFEMONKD-GHMZBOCLSA-N	1	3	313.402	-1.040	20	0		DAADHO
Cn1nnnc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+]	ZINC001218496189	780031652	/nfs/dbraw/zinc/03/16/52/780031652.db2.gz	JHVWVJBOEKIOSQ-UWVGGRQHSA-N	1	3	324.389	-1.404	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cnn(C2C[NH2+]C2)c1	ZINC001218640516	780036429	/nfs/dbraw/zinc/03/64/29/780036429.db2.gz	ISFRMPVAGFFNSU-XVKPBYJWSA-N	1	3	323.357	-2.327	20	0		DAADHO
N[C@@H]1C[NH2+][C@H](C(=O)Nc2cnn(CCN3CCOCC3)c2)C1	ZINC001218669356	780038629	/nfs/dbraw/zinc/03/86/29/780038629.db2.gz	PUPVRGOQHDFVFL-AAEUAGOBSA-N	1	3	308.386	-1.157	20	0		DAADHO
C[C@H](N)C(=O)N[C@H](CCC(=O)Nc1cncc(C[NH3+])c1)C(N)=O	ZINC001218705130	780039092	/nfs/dbraw/zinc/03/90/92/780039092.db2.gz	IZQISWJWAOVROX-GZMMTYOYSA-N	1	3	322.369	-1.424	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cncc(C[NH3+])c1	ZINC001218705559	780039865	/nfs/dbraw/zinc/03/98/65/780039865.db2.gz	UHEATXXQGRZFRC-XVKPBYJWSA-N	1	3	308.342	-1.814	20	0		DAADHO
C[C@H](N)C(=O)N[C@H](CCC(=O)n1ccc(=[NH2+])c(N)c1)C(N)=O	ZINC001218693757	780039996	/nfs/dbraw/zinc/03/99/96/780039996.db2.gz	NWULYLBYVJEAJM-OIBJUYFYSA-N	1	3	308.342	-1.713	20	0		DAADHO
N[C@H](C(=O)Nc1cncc(S(N)(=O)=O)c1)C1CC[NH2+]CC1	ZINC001218751094	780040379	/nfs/dbraw/zinc/04/03/79/780040379.db2.gz	QIKMSFAHQXEUQX-NSHDSACASA-N	1	3	313.383	-1.006	20	0		DAADHO
CCc1c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c(C(N)=O)nn1C	ZINC001218788470	780041478	/nfs/dbraw/zinc/04/14/78/780041478.db2.gz	PSNUYDUPVNLLAX-QMMMGPOBSA-N	1	3	306.370	-1.171	20	0		DAADHO
O=C(CCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)N1CCOCC1	ZINC001219572962	780119493	/nfs/dbraw/zinc/11/94/93/780119493.db2.gz	CRHDNZYWOGJCHI-IUODEOHRSA-N	1	3	310.398	-1.449	20	0		DAADHO
[NH3+][C@H]1CN[C@H](C(=O)NCCS(=O)(=O)N2CCNCC2)C1	ZINC001219678295	780132732	/nfs/dbraw/zinc/13/27/32/780132732.db2.gz	JSCFINIOIJADKT-ZJUUUORDSA-N	1	3	305.404	-2.973	20	0		DAADHO
N[C@H]1C[NH2+][C@H](C(=O)NCCS(=O)(=O)N2CCNCC2)C1	ZINC001219678295	780132744	/nfs/dbraw/zinc/13/27/44/780132744.db2.gz	JSCFINIOIJADKT-ZJUUUORDSA-N	1	3	305.404	-2.973	20	0		DAADHO
C[C@@H]1C[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)C23CNC3)C[NH2+]1	ZINC001219684351	780133597	/nfs/dbraw/zinc/13/35/97/780133597.db2.gz	MXOAYNHZWCHZMX-GMTAPVOTSA-N	1	3	301.412	-1.123	20	0		DAADHO
CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCCC1(O)C[NH2+]C1	ZINC001219697229	780135752	/nfs/dbraw/zinc/13/57/52/780135752.db2.gz	PWGQQUYSRMUVTB-QWRGUYRKSA-N	1	3	300.403	-1.295	20	0		DAADHO
NC(=O)c1ccc(C[C@H](N)C(=O)NCCC2(O)C[NH2+]C2)cc1	ZINC001219697869	780136514	/nfs/dbraw/zinc/13/65/14/780136514.db2.gz	ZITTVBJVPTUZMI-LBPRGKRZSA-N	1	3	306.366	-1.504	20	0		DAADHO
N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N[C@@H]1COC[C@@H]1[NH3+]	ZINC001219719914	780137831	/nfs/dbraw/zinc/13/78/31/780137831.db2.gz	ADNVXPNULDIJNK-JBLDHEPKSA-N	1	3	322.369	-1.844	20	0		DAADHO
CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1	ZINC001219739294	780141444	/nfs/dbraw/zinc/14/14/44/780141444.db2.gz	LCERBRUFQUHFRU-GVXVVHGQSA-N	1	3	312.414	-1.029	20	0		DAADHO
O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1COC2(CNC2)CN1	ZINC001219741799	780141523	/nfs/dbraw/zinc/14/15/23/780141523.db2.gz	UTPWIOZYKPIXSN-QWHCGFSZSA-N	1	3	324.425	-1.266	20	0		DAADHO
O=C(NC[C@]1(F)CCC[NH2+]C1)[C@H]1CCS(=O)(=O)C12CNC2	ZINC001219768303	780147035	/nfs/dbraw/zinc/14/70/35/780147035.db2.gz	LSOAYCZMCBFPRR-PWSUYJOCSA-N	1	3	319.402	-1.029	20	0		DAADHO
C[S@@](=O)CC[C@H](N)C(=O)NCC[C@H]1CCOC12C[NH2+]C2	ZINC001219801391	780148290	/nfs/dbraw/zinc/14/82/90/780148290.db2.gz	YXRODLZRYFDYHB-SULUTDIPSA-N	1	3	303.428	-1.033	20	0		DAADHO
O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CNCc2ccnn2C1	ZINC001219812522	780150994	/nfs/dbraw/zinc/15/09/94/780150994.db2.gz	DDRIINRBFYNRPQ-XUJVJEKNSA-N	1	3	305.382	-1.045	20	0		DAADHO
N[C@H]1CCCCN(CC(=O)NC[C@]23C[NH2+]C[C@H]2COC3)C1=O	ZINC001219813625	780151025	/nfs/dbraw/zinc/15/10/25/780151025.db2.gz	XODUZCWUCDTCDK-HUBLWGQQSA-N	1	3	310.398	-1.322	20	0		DAADHO
CC(=O)NCCCC[C@H](N)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2	ZINC001219815006	780152225	/nfs/dbraw/zinc/15/22/25/780152225.db2.gz	QFYNESSRFIQRCB-YDHLFZDLSA-N	1	3	312.414	-1.028	20	0		DAADHO
N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219833349	780153489	/nfs/dbraw/zinc/15/34/89/780153489.db2.gz	CCQDRARTRBEHJU-WHOFXGATSA-N	1	3	323.397	-1.209	20	0		DAADHO
CC(C)(O)[C@H](N)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219834315	780153734	/nfs/dbraw/zinc/15/37/34/780153734.db2.gz	PKTTUIOLBKENPJ-WDMOLILDSA-N	1	3	301.387	-1.404	20	0		DAADHO
NC(=O)NCCC[C@H](N)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21	ZINC001219849907	780156031	/nfs/dbraw/zinc/15/60/31/780156031.db2.gz	JGXOTVINXMLNFB-FIQHERPVSA-N	1	3	313.402	-1.497	20	0		DAADHO
O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1COC2(CNC2)CN1	ZINC001219850203	780156188	/nfs/dbraw/zinc/15/61/88/780156188.db2.gz	NPPNXGZPSFQPGP-WUHRBBMRSA-N	1	3	310.398	-1.943	20	0		DAADHO
O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001219848006	780156743	/nfs/dbraw/zinc/15/67/43/780156743.db2.gz	VCAUAJBKALNIBD-ZDEQEGDKSA-N	1	3	322.409	-1.262	20	0		DAADHO
O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1CCS(=O)(=O)C12CNC2	ZINC001219854325	780157413	/nfs/dbraw/zinc/15/74/13/780157413.db2.gz	IBXZRKOJJIESDQ-VPOLOUISSA-N	1	3	315.395	-2.134	20	0		DAADHO
O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H]1CCS(=O)(=O)C12CNC2	ZINC001219854324	780157428	/nfs/dbraw/zinc/15/74/28/780157428.db2.gz	IBXZRKOJJIESDQ-CHWFTXMASA-N	1	3	315.395	-2.134	20	0		DAADHO
N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)CO	ZINC001219865119	780158762	/nfs/dbraw/zinc/15/87/62/780158762.db2.gz	AQULCCUYJPLEDG-WOPDTQHZSA-N	1	3	316.402	-2.097	20	0		DAADHO
Cn1cc2c(n1)[C@H](CNC(=O)[C@H]1C[NH2+]CC13CNC3)OCC2	ZINC001219884693	780158823	/nfs/dbraw/zinc/15/88/23/780158823.db2.gz	AMPHPKJWIQTLQK-NEPJUHHUSA-N	1	3	305.382	-1.041	20	0		DAADHO
O=C(NCCNC(=O)[C@@H]1C[NH2+]CC12CNC2)c1ccncc1	ZINC001219936394	780164363	/nfs/dbraw/zinc/16/43/63/780164363.db2.gz	CLMSMMHJUBLFDO-LBPRGKRZSA-N	1	3	303.366	-1.263	20	0		DAADHO
CNS(=O)(=O)CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1	ZINC001219961462	780166068	/nfs/dbraw/zinc/16/60/68/780166068.db2.gz	MEISKTVPYXDUKS-JTQLQIEISA-N	1	3	304.416	-1.474	20	0		DAADHO
CNS(=O)(=O)CCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1	ZINC001219961462	780166074	/nfs/dbraw/zinc/16/60/74/780166074.db2.gz	MEISKTVPYXDUKS-JTQLQIEISA-N	1	3	304.416	-1.474	20	0		DAADHO
COC(=O)CC[C@@H](N)C(=O)NC1(C(=O)OC)CC[NH2+]CC1	ZINC001219999618	780169403	/nfs/dbraw/zinc/16/94/03/780169403.db2.gz	YTHNTNJMTKTVIO-SECBINFHSA-N	1	3	301.343	-1.322	20	0		DAADHO
COC(=O)CC[C@H](N)C(=O)NC1(C(=O)OC)CC[NH2+]CC1	ZINC001219999619	780169451	/nfs/dbraw/zinc/16/94/51/780169451.db2.gz	YTHNTNJMTKTVIO-VIFPVBQESA-N	1	3	301.343	-1.322	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)n1ccc(C[NH3+])cc1=N	ZINC001220045225	780173438	/nfs/dbraw/zinc/17/34/38/780173438.db2.gz	QXPMSEOANAYDQN-CBAPKCEASA-N	1	3	308.342	-2.226	20	0		DAADHO
C[NH2+]CCCCNC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O	ZINC001220077498	780177383	/nfs/dbraw/zinc/17/73/83/780177383.db2.gz	MICVUBSQSLXMSP-VHSXEESVSA-N	1	3	301.391	-1.800	20	0		DAADHO
O=C(NC1CC2(C1)CS(=O)(=O)C2)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001220143568	780184642	/nfs/dbraw/zinc/18/46/42/780184642.db2.gz	NBAYNQUUQHASBH-QMTHXVAHSA-N	1	3	313.423	-1.121	20	0		DAADHO
CS(=O)(=O)N1CC(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1	ZINC001220145588	780186157	/nfs/dbraw/zinc/18/61/57/780186157.db2.gz	HSTSJGZWZDGDJP-NSHDSACASA-N	1	3	316.427	-1.379	20	0		DAADHO
CS(=O)(=O)N1CC(NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1	ZINC001220145588	780186167	/nfs/dbraw/zinc/18/61/67/780186167.db2.gz	HSTSJGZWZDGDJP-NSHDSACASA-N	1	3	316.427	-1.379	20	0		DAADHO
N[C@@H](CSCC[NH3+])C(=O)N[C@H]1COCCC12OCCO2	ZINC001220172787	780187907	/nfs/dbraw/zinc/18/79/07/780187907.db2.gz	BKBIJCWQRBXFRI-UWVGGRQHSA-N	1	3	305.400	-1.346	20	0		DAADHO
N[C@@H](CSCC[NH3+])C(=O)NCC1(N2CCCC2)COC1	ZINC001220197937	780189181	/nfs/dbraw/zinc/18/91/81/780189181.db2.gz	XBLILKBIQZYBQR-NSHDSACASA-N	1	3	302.444	-1.013	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC[C@H]1CCC[N@@H+]1C	ZINC001220253883	780196877	/nfs/dbraw/zinc/19/68/77/780196877.db2.gz	GKTZVLKYWBPLAQ-AXFHLTTASA-N	1	3	313.402	-1.706	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC[C@H]1CCC[N@H+]1C	ZINC001220253883	780196884	/nfs/dbraw/zinc/19/68/84/780196884.db2.gz	GKTZVLKYWBPLAQ-AXFHLTTASA-N	1	3	313.402	-1.706	20	0		DAADHO
NC(=O)CC[C@H]([NH3+])CC(=O)NCc1ncn2c1CNCCC2	ZINC001220311775	780201236	/nfs/dbraw/zinc/20/12/36/780201236.db2.gz	QXXNESMKANCALH-JTQLQIEISA-N	1	3	308.386	-1.025	20	0		DAADHO
NC(=O)NCCC[C@@H](N)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2	ZINC001220315196	780201720	/nfs/dbraw/zinc/20/17/20/780201720.db2.gz	AOAUSPIQEVMWAR-GYSYKLTISA-N	1	3	313.402	-1.211	20	0		DAADHO
NC(=O)NCCC[C@@H](N)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2	ZINC001220315200	780201857	/nfs/dbraw/zinc/20/18/57/780201857.db2.gz	AOAUSPIQEVMWAR-MISXGVKJSA-N	1	3	313.402	-1.211	20	0		DAADHO
CN(CC[NH3+])CCNC(=O)[C@@H](N)Cc1ccc(C(N)=O)cc1	ZINC001220517652	780221974	/nfs/dbraw/zinc/22/19/74/780221974.db2.gz	UVELQABDVCEKIR-ZDUSSCGKSA-N	1	3	307.398	-1.338	20	0		DAADHO
COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@@H]1C[NH2+]CC12CNC2	ZINC001220514831	780222099	/nfs/dbraw/zinc/22/20/99/780222099.db2.gz	VRKYWTQJBPCKPE-ZETCQYMHSA-N	1	3	307.310	-1.284	20	0		DAADHO
CC(=O)NCCCC[C@H](N)C(=O)NCCOCCOCC[NH3+]	ZINC001220519677	780222811	/nfs/dbraw/zinc/22/28/11/780222811.db2.gz	XLUQJUYLKLXVJY-ZDUSSCGKSA-N	1	3	318.418	-1.272	20	0		DAADHO
COCCCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1	ZINC001220764307	780245036	/nfs/dbraw/zinc/24/50/36/780245036.db2.gz	GHDJOXWVRUYYKJ-OLZOCXBDSA-N	1	3	303.403	-1.238	20	0		DAADHO
O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@H]1COC2(CNC2)CN1	ZINC001220800021	780248632	/nfs/dbraw/zinc/24/86/32/780248632.db2.gz	KIVHLRRHSXRTJY-IVZWLZJFSA-N	1	3	322.331	-1.027	20	0		DAADHO
O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@H]1COC2(CNC2)CN1	ZINC001220800022	780248818	/nfs/dbraw/zinc/24/88/18/780248818.db2.gz	KIVHLRRHSXRTJY-OPRDCNLKSA-N	1	3	322.331	-1.027	20	0		DAADHO
N[C@H](Cc1c[nH]cn1)C(=O)NCCN(CC[NH3+])N(O)N=O	ZINC001220900228	780256736	/nfs/dbraw/zinc/25/67/36/780256736.db2.gz	DUTKBPKKKATMRB-SECBINFHSA-N	1	3	300.323	-2.056	20	0		DAADHO
CC(C)C[C@H](N)C(=O)NCC(=O)NCCO[C@H]1CC[NH2+]C1	ZINC001220936175	780261001	/nfs/dbraw/zinc/26/10/01/780261001.db2.gz	DBNFNRZWHIVCQJ-RYUDHWBXSA-N	1	3	300.403	-1.029	20	0		DAADHO
CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCCO[C@H]1CC[NH2+]C1	ZINC001220937311	780261919	/nfs/dbraw/zinc/26/19/19/780261919.db2.gz	OMZRKMXLHWLOTR-GVXVVHGQSA-N	1	3	300.403	-1.029	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCO[C@H]1CC[NH2+]C1	ZINC001220936902	780262242	/nfs/dbraw/zinc/26/22/42/780262242.db2.gz	KCENRVKCYQWLLB-GUBZILKMSA-N	1	3	315.374	-2.812	20	0		DAADHO
CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@H]1C[NH2+]CC12CNC2	ZINC001220961116	780264694	/nfs/dbraw/zinc/26/46/94/780264694.db2.gz	ZYAPZEAPKVFFAA-UTUOFQBUSA-N	1	3	311.382	-1.120	20	0		DAADHO
COC(=O)CC[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C(N)=O	ZINC001221019303	780270006	/nfs/dbraw/zinc/27/00/06/780270006.db2.gz	SVQCJGSSKSDAPD-ISTVAULSSA-N	1	3	312.370	-1.891	20	0		DAADHO
COCCOc1nccc(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)n1	ZINC001221157810	780277410	/nfs/dbraw/zinc/27/74/10/780277410.db2.gz	OHQLVINJHLKDCO-LBPRGKRZSA-N	1	3	321.381	-1.073	20	0		DAADHO
COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1COC2(CNC2)CN1	ZINC001221188347	780281806	/nfs/dbraw/zinc/28/18/06/780281806.db2.gz	SXTQWLQVAQXQHQ-VHSXEESVSA-N	1	3	300.359	-2.287	20	0		DAADHO
COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1CNCc2ccnn2C1	ZINC001221188089	780282357	/nfs/dbraw/zinc/28/23/57/780282357.db2.gz	NPGJIZINGSZXJA-JQWIXIFHSA-N	1	3	309.370	-1.001	20	0		DAADHO
CC(=O)OCN1CCC(NC(=O)[C@H]2C[NH2+]CC23CNC3)CC1	ZINC001221258375	780286020	/nfs/dbraw/zinc/28/60/20/780286020.db2.gz	GQYPQMNTQYBEHT-CYBMUJFWSA-N	1	3	310.398	-1.103	20	0		DAADHO
O=C(NCCN1CCCS1(=O)=O)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001221336198	780290946	/nfs/dbraw/zinc/29/09/46/780290946.db2.gz	LMHWZVYZQIRIMT-DGCLKSJQSA-N	1	3	316.427	-1.663	20	0		DAADHO
N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC1=CCOC1=O	ZINC001221328364	780291163	/nfs/dbraw/zinc/29/11/63/780291163.db2.gz	KGCDKGMPKATXHV-JQWIXIFHSA-N	1	3	324.381	-1.009	20	0		DAADHO
CC(C)N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C(C)(C)C[NH3+]	ZINC001221395349	780291730	/nfs/dbraw/zinc/29/17/30/780291730.db2.gz	TVFVFBGJCFWKTM-UWVGGRQHSA-N	1	3	315.418	-1.332	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F	ZINC001221368082	780293013	/nfs/dbraw/zinc/29/30/13/780293013.db2.gz	XOOUGLJWIMJGOU-UYXSQOIJSA-N	1	3	303.338	-2.490	20	0		DAADHO
[NH3+]CCNC(=O)c1cccc(CN2CCNC(=O)C23CNC3)c1	ZINC001235071531	780415178	/nfs/dbraw/zinc/41/51/78/780415178.db2.gz	XOTGCTLNCWJFDB-UHFFFAOYSA-N	1	3	317.393	-1.351	20	0		DAADHO
O=C1C[C@H]2[NH2+]CC[C@]2([N-]S(=O)(=O)CC2CC[NH2+]CC2)N1	ZINC001238334582	780436807	/nfs/dbraw/zinc/43/68/07/780436807.db2.gz	YYHQLIAVISBRPP-ZYHUDNBSSA-N	1	3	302.400	-1.517	20	0		DAADHO
O=C1C[C@@H]2[NH2+]CC[C@]2([N-]S(=O)(=O)CC2CC[NH2+]CC2)N1	ZINC001238334572	780436952	/nfs/dbraw/zinc/43/69/52/780436952.db2.gz	YYHQLIAVISBRPP-CMPLNLGQSA-N	1	3	302.400	-1.517	20	0		DAADHO
CCOC(=O)C1([N-]S(=O)(=O)[C@H]2CC[NH2+]C2)CC[NH2+]CC1	ZINC001238886301	780439139	/nfs/dbraw/zinc/43/91/39/780439139.db2.gz	CXVQQQXQDZXDLR-JTQLQIEISA-N	1	3	305.400	-1.047	20	0		DAADHO
O=S(=O)([C@@H]1CC[NH2+]C1)N1CCOC[C@@]2(CNCCO2)C1	ZINC001238999250	780440821	/nfs/dbraw/zinc/44/08/21/780440821.db2.gz	HZOKQWFOGFEHHM-VXGBXAGGSA-N	1	3	305.400	-1.631	20	0		DAADHO
COC(=O)[C@H]1CNCCN1C[C@H](O)CC1(O)CC[NH2+]CC1	ZINC001246028109	780447664	/nfs/dbraw/zinc/44/76/64/780447664.db2.gz	ZFTNNXJTCVYOQE-VXGBXAGGSA-N	1	3	301.387	-1.701	20	0		DAADHO
CCOC(=O)[C@@H]1CNCCN1C[C@H](O)CC1(O)CC[NH2+]CC1	ZINC001246031589	780447930	/nfs/dbraw/zinc/44/79/30/780447930.db2.gz	REMOMBQAXNFYBY-OLZOCXBDSA-N	1	3	315.414	-1.311	20	0		DAADHO
CCOC(=O)CC1(NC[C@@H](O)CC2(O)CC[NH2+]CC2)CNC1	ZINC001245995138	780448148	/nfs/dbraw/zinc/44/81/48/780448148.db2.gz	PNNDAQUODXUGGF-LBPRGKRZSA-N	1	3	315.414	-1.263	20	0		DAADHO
O[C@@H](CNCc1nnc2n1CCCNC2)CC1(O)CC[NH2+]CC1	ZINC001245988810	780448163	/nfs/dbraw/zinc/44/81/63/780448163.db2.gz	WSWJPWJJJSLFLR-GFCCVEGCSA-N	1	3	324.429	-1.274	20	0		DAADHO
[NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CCNC(=O)C12CNC2	ZINC001246025555	780448198	/nfs/dbraw/zinc/44/81/98/780448198.db2.gz	LCZCYIJUPSFSQL-UONOGXRCSA-N	1	3	304.394	-1.309	20	0		DAADHO
O=C([C@@H]1C[C@@H](N2CCOC3(CNC3)C2)C[NH2+]1)N1CCSC1	ZINC001246617608	780454916	/nfs/dbraw/zinc/45/49/16/780454916.db2.gz	COORYESVCVVKEM-NEPJUHHUSA-N	1	3	312.439	-1.076	20	0		DAADHO
O=C1NCC[C@@]12C[N@@H+](C1C[C@@H]3COC[C@H](C1)N3)CC21CNC1	ZINC001246630631	780455580	/nfs/dbraw/zinc/45/55/80/780455580.db2.gz	UJRUKKUAHUBYPP-TUURBPCVSA-N	1	3	306.410	-1.083	20	0		DAADHO
O=C1NCC[C@@]12C[N@H+](C1C[C@@H]3COC[C@H](C1)N3)CC21CNC1	ZINC001246630631	780455582	/nfs/dbraw/zinc/45/55/82/780455582.db2.gz	UJRUKKUAHUBYPP-TUURBPCVSA-N	1	3	306.410	-1.083	20	0		DAADHO
COC(=O)C1C[C@@H]2CC(N3CCN[C@H](C(N)=O)C3)C[C@H](C1)[NH2+]2	ZINC001246797221	780457096	/nfs/dbraw/zinc/45/70/96/780457096.db2.gz	NAKQNSAIAUWYEU-ZYLJPLBTSA-N	1	3	310.398	-1.182	20	0		DAADHO
O=C([C@@H]1C[C@@H](N2C[C@H]3CNC[C@@H](C2)O3)C[NH2+]1)N1CCSC1	ZINC001246676337	780457253	/nfs/dbraw/zinc/45/72/53/780457253.db2.gz	DGLFXGLYRVDWJO-NDBYEHHHSA-N	1	3	312.439	-1.078	20	0		DAADHO
C[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])CN1CCN(C)CC1	ZINC001261821768	780559922	/nfs/dbraw/zinc/55/99/22/780559922.db2.gz	JVXOPJOZXBYXQM-OLZOCXBDSA-N	1	3	313.446	-1.208	20	0		DAADHO
[NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1	ZINC001262067031	780567142	/nfs/dbraw/zinc/56/71/42/780567142.db2.gz	QIGJNHHILZPIJQ-CYDGBPFRSA-N	1	3	310.398	-1.181	20	0		DAADHO
[NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1	ZINC001262067034	780567202	/nfs/dbraw/zinc/56/72/02/780567202.db2.gz	QIGJNHHILZPIJQ-ZDEQEGDKSA-N	1	3	310.398	-1.181	20	0		DAADHO
[NH3+]C[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)CCO1	ZINC001160644195	781378719	/nfs/dbraw/zinc/37/87/19/781378719.db2.gz	WPEWUFBSJVXMOL-UWVGGRQHSA-N	1	3	303.384	-2.051	20	0		DAADHO
N[C@@H](CSCC[NH3+])C(=O)N1CCN2C(=O)COC[C@@H]2C1	ZINC001160791211	781406470	/nfs/dbraw/zinc/40/64/70/781406470.db2.gz	ZIXCRDLDTVPVGU-UWVGGRQHSA-N	1	3	302.400	-1.925	20	0		DAADHO
CC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NC	ZINC001146710293	781418004	/nfs/dbraw/zinc/41/80/04/781418004.db2.gz	JZBVYTOQWPMMKY-JTQLQIEISA-N	1	3	301.391	-1.122	20	0		DAADHO
CC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NC	ZINC001146710293	781418005	/nfs/dbraw/zinc/41/80/05/781418005.db2.gz	JZBVYTOQWPMMKY-JTQLQIEISA-N	1	3	301.391	-1.122	20	0		DAADHO
CC[N@H+](C)CCC(=O)NCCNCCNS(=O)(=O)CC	ZINC001146711344	781420282	/nfs/dbraw/zinc/42/02/82/781420282.db2.gz	QGTRHQJAVVJANB-UHFFFAOYSA-N	1	3	308.448	-1.027	20	0		DAADHO
CC[N@@H+](C)CCC(=O)NCCNCCNS(=O)(=O)CC	ZINC001146711344	781420287	/nfs/dbraw/zinc/42/02/87/781420287.db2.gz	QGTRHQJAVVJANB-UHFFFAOYSA-N	1	3	308.448	-1.027	20	0		DAADHO
CC[N@H+](C)CCC(=O)NCCNCC(=O)N1CCOCC1	ZINC001146718496	781421298	/nfs/dbraw/zinc/42/12/98/781421298.db2.gz	CQVWRMJNRKDHCO-UHFFFAOYSA-N	1	3	300.403	-1.107	20	0		DAADHO
CC[N@@H+](C)CCC(=O)NCCNCC(=O)N1CCOCC1	ZINC001146718496	781421304	/nfs/dbraw/zinc/42/13/04/781421304.db2.gz	CQVWRMJNRKDHCO-UHFFFAOYSA-N	1	3	300.403	-1.107	20	0		DAADHO
CCS(=O)(=O)NCCNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001147892060	781458499	/nfs/dbraw/zinc/45/84/99/781458499.db2.gz	HKTCXEQCMSGBHW-LBPRGKRZSA-N	1	3	320.459	-1.027	20	0		DAADHO
CCS(=O)(=O)NCCNCCNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001147892060	781458496	/nfs/dbraw/zinc/45/84/96/781458496.db2.gz	HKTCXEQCMSGBHW-LBPRGKRZSA-N	1	3	320.459	-1.027	20	0		DAADHO
C[C@@H](NCCNC(=O)COCC[NH+](C)C)C(=O)NC(N)=O	ZINC001147893471	781458620	/nfs/dbraw/zinc/45/86/20/781458620.db2.gz	QWRLVLMDYQGACA-SECBINFHSA-N	1	3	303.363	-2.146	20	0		DAADHO
C[C@H](NCCNC(=O)COCC[NH+](C)C)C(=O)NC(N)=O	ZINC001147893476	781458897	/nfs/dbraw/zinc/45/88/97/781458897.db2.gz	QWRLVLMDYQGACA-VIFPVBQESA-N	1	3	303.363	-2.146	20	0		DAADHO
CN(CCNCCNC(=O)C[C@H]1CC[N@H+](C)C1)S(C)(=O)=O	ZINC001147885974	781458912	/nfs/dbraw/zinc/45/89/12/781458912.db2.gz	QSHINVUGZQPJNO-GFCCVEGCSA-N	1	3	320.459	-1.075	20	0		DAADHO
CN(CCNCCNC(=O)C[C@H]1CC[N@@H+](C)C1)S(C)(=O)=O	ZINC001147885974	781458916	/nfs/dbraw/zinc/45/89/16/781458916.db2.gz	QSHINVUGZQPJNO-GFCCVEGCSA-N	1	3	320.459	-1.075	20	0		DAADHO
C[NH+](C)CCOCC(=O)NCCN[C@H]1CCC(=O)NC1=O	ZINC001147848913	781459040	/nfs/dbraw/zinc/45/90/40/781459040.db2.gz	YUMFXRNYLLKZSJ-JTQLQIEISA-N	1	3	300.359	-1.924	20	0		DAADHO
CN(CCNCCNC(=O)C12CC[NH+](CC1)C2)S(C)(=O)=O	ZINC001147977838	781460538	/nfs/dbraw/zinc/46/05/38/781460538.db2.gz	YAMFADYLADOTMK-UHFFFAOYSA-N	1	3	318.443	-1.321	20	0		DAADHO
O=C(CNCCNC(=O)C12CC[NH+](CC1)C2)N1CCOCC1	ZINC001147977653	781461758	/nfs/dbraw/zinc/46/17/58/781461758.db2.gz	UHVLWLVTYKZVKL-UHFFFAOYSA-N	1	3	310.398	-1.353	20	0		DAADHO
O=C(CNCCNC(=O)C12CC[NH+](CC1)C2)NC[C@@H]1CCOC1	ZINC001147994644	781463648	/nfs/dbraw/zinc/46/36/48/781463648.db2.gz	MYPVQFXRLGYSRW-ZDUSSCGKSA-N	1	3	324.425	-1.059	20	0		DAADHO
CCCN(C)CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O	ZINC001171762615	781587962	/nfs/dbraw/zinc/58/79/62/781587962.db2.gz	IDLBTUIGRFBVPL-UHFFFAOYSA-N	1	3	313.402	-1.024	20	0		DAADHO
C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)[C@H]1CC[N@H+](C)C1	ZINC001180124691	781666513	/nfs/dbraw/zinc/66/65/13/781666513.db2.gz	MTQUGQNJGWMNBW-DCAQKATOSA-N	1	3	311.386	-1.288	20	0		DAADHO
C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001180124691	781666516	/nfs/dbraw/zinc/66/65/16/781666516.db2.gz	MTQUGQNJGWMNBW-DCAQKATOSA-N	1	3	311.386	-1.288	20	0		DAADHO
CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001151044071	781686820	/nfs/dbraw/zinc/68/68/20/781686820.db2.gz	NEZYGOIHQZFOBO-QWRGUYRKSA-N	1	3	313.402	-1.122	20	0		DAADHO
CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001151044071	781686843	/nfs/dbraw/zinc/68/68/43/781686843.db2.gz	NEZYGOIHQZFOBO-QWRGUYRKSA-N	1	3	313.402	-1.122	20	0		DAADHO
CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1	ZINC001181652602	781690612	/nfs/dbraw/zinc/69/06/12/781690612.db2.gz	NNIDHNIPIXXSTJ-NEPJUHHUSA-N	1	3	318.443	-1.180	20	0		DAADHO
CN1CCC(O)(C(=O)NCCN(CC[NH3+])N(O)N=O)CC1	ZINC001182036288	781695667	/nfs/dbraw/zinc/69/56/67/781695667.db2.gz	NHKAYIUMLKAHAL-UHFFFAOYSA-N	1	3	304.351	-1.892	20	0		DAADHO
CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1)N(C)C	ZINC001183580950	781726861	/nfs/dbraw/zinc/72/68/61/781726861.db2.gz	ALTCAOPAGFISPE-GHMZBOCLSA-N	1	3	313.402	-1.027	20	0		DAADHO
CN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001183647780	781728436	/nfs/dbraw/zinc/72/84/36/781728436.db2.gz	LBNGPWBBCVNUIB-MNOVXSKESA-N	1	3	311.386	-1.144	20	0		DAADHO
CN1CC[C@@H](N[C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O	ZINC001187107220	781795818	/nfs/dbraw/zinc/79/58/18/781795818.db2.gz	XSQQBUAXKYMODG-CHWSQXEVSA-N	1	3	312.414	-1.014	20	0		DAADHO
CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1	ZINC001187842932	781808756	/nfs/dbraw/zinc/80/87/56/781808756.db2.gz	SDBRIDXRTHMSFF-GFCCVEGCSA-N	1	3	318.443	-1.178	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1	ZINC001187834799	781808777	/nfs/dbraw/zinc/80/87/77/781808777.db2.gz	IEANUUAPJLUUNJ-LLVKDONJSA-N	1	3	311.386	-1.272	20	0		DAADHO
C[NH+](C)CCOCC(=O)N1CC[C@H]2CN([C@H]3CCNC3=O)C[C@H]21	ZINC001189802368	781854749	/nfs/dbraw/zinc/85/47/49/781854749.db2.gz	WSIRPJPOZAVIJJ-MELADBBJSA-N	1	3	324.425	-1.014	20	0		DAADHO
C[NH+](C)CCOCC(=O)N1CC[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21	ZINC001189802367	781855065	/nfs/dbraw/zinc/85/50/65/781855065.db2.gz	WSIRPJPOZAVIJJ-BFHYXJOUSA-N	1	3	324.425	-1.014	20	0		DAADHO
CNC(=O)CNC[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1	ZINC001376875433	921742565	/nfs/dbraw/zinc/74/25/65/921742565.db2.gz	UYIQYDZLKIGSEK-LBPRGKRZSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)C1	ZINC001376912999	921747026	/nfs/dbraw/zinc/74/70/26/921747026.db2.gz	UDVWYKSSTOVOCJ-MNOVXSKESA-N	1	3	311.386	-1.286	20	0		DAADHO
C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)C1	ZINC001376912999	921747040	/nfs/dbraw/zinc/74/70/40/921747040.db2.gz	UDVWYKSSTOVOCJ-MNOVXSKESA-N	1	3	311.386	-1.286	20	0		DAADHO
C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H]1CCC(=O)NC1=O	ZINC001317281764	916280883	/nfs/dbraw/zinc/28/08/83/916280883.db2.gz	FMGWTHHDIZYDJZ-MNOVXSKESA-N	1	3	308.382	-1.018	20	0		DAADHO
C[C@H]1C[C@@H](C(=O)N(C)CCNCC(=O)NC(N)=O)CC[N@@H+]1C	ZINC001317622137	916341921	/nfs/dbraw/zinc/34/19/21/916341921.db2.gz	ITNZUXXDBMVFIT-QWRGUYRKSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@H]1C[C@@H](C(=O)N(C)CCNCC(=O)NC(N)=O)CC[N@H+]1C	ZINC001317622137	916341943	/nfs/dbraw/zinc/34/19/43/916341943.db2.gz	ITNZUXXDBMVFIT-QWRGUYRKSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[NH+](C)CCC(=O)NC[C@@H](O)CN[C@@H]1CCC(=O)NC1=O	ZINC001320271655	916492347	/nfs/dbraw/zinc/49/23/47/916492347.db2.gz	UATLTZLXSHFWGX-VHSXEESVSA-N	1	3	300.359	-2.190	20	0		DAADHO
OC[C@@H]1C[C@H](O)CN1CCOCC[N@@H+]1C[C@@H](O)C[C@H]1CO	ZINC001320710736	916524558	/nfs/dbraw/zinc/52/45/58/916524558.db2.gz	FTBMRIUODMQVJI-XUXIUFHCSA-N	1	3	304.387	-2.142	20	0		DAADHO
OC[C@@H]1C[C@H](O)CN1CCOCC[N@H+]1C[C@@H](O)C[C@H]1CO	ZINC001320710736	916524567	/nfs/dbraw/zinc/52/45/67/916524567.db2.gz	FTBMRIUODMQVJI-XUXIUFHCSA-N	1	3	304.387	-2.142	20	0		DAADHO
CN1CCN(CCCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1	ZINC001328593531	917097914	/nfs/dbraw/zinc/09/79/14/917097914.db2.gz	KUMFRKDRWKTUBR-CYBMUJFWSA-N	1	3	311.430	-1.392	20	0		DAADHO
C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)CN1CCN(C)CC1	ZINC001329453305	917171162	/nfs/dbraw/zinc/17/11/62/917171162.db2.gz	BMTBMWHDULNINT-CHWSQXEVSA-N	1	3	311.430	-1.536	20	0		DAADHO
C[C@@H](CNC(=O)CC[NH+](C)C)N(C)CCN1C(=O)CNC1=O	ZINC001329531861	917179442	/nfs/dbraw/zinc/17/94/42/917179442.db2.gz	MXANAVZRBJSSKC-NSHDSACASA-N	1	3	313.402	-1.074	20	0		DAADHO
CC[NH+](CC)CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1	ZINC001329838614	917204697	/nfs/dbraw/zinc/20/46/97/917204697.db2.gz	SYFMLRVLIZSEDW-UHFFFAOYSA-N	1	3	324.385	-1.285	20	0		DAADHO
C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1	ZINC001331165241	917284002	/nfs/dbraw/zinc/28/40/02/917284002.db2.gz	NYUXZAZPTOLANZ-LBPRGKRZSA-N	1	3	311.430	-1.312	20	0		DAADHO
CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1	ZINC001331585839	917301827	/nfs/dbraw/zinc/30/18/27/917301827.db2.gz	UHVAZIAKZPYKCG-CYBMUJFWSA-N	1	3	311.430	-1.392	20	0		DAADHO
CNC(=O)C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCN1C	ZINC001333207717	917427539	/nfs/dbraw/zinc/42/75/39/917427539.db2.gz	XEQZSYDEXVWPFQ-LBPRGKRZSA-N	1	3	300.403	-1.109	20	0		DAADHO
C[C@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])CN1CCN(C)CC1	ZINC001333180225	917427824	/nfs/dbraw/zinc/42/78/24/917427824.db2.gz	ZUMNLYSTUHXQBQ-OLZOCXBDSA-N	1	3	313.446	-1.160	20	0		DAADHO
C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)C2CNC2)CC1	ZINC001335181019	917529283	/nfs/dbraw/zinc/52/92/83/917529283.db2.gz	LDKXYNYPQOIVKS-UHFFFAOYSA-N	1	3	318.443	-1.132	20	0		DAADHO
CN1CCNC[C@H]1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC001343487838	917811677	/nfs/dbraw/zinc/81/16/77/917811677.db2.gz	SLDHZOSYRZLPCV-WDEREUQCSA-N	1	3	323.363	-1.158	20	0		DAADHO
C[C@@H](CN1CCN(C)CC1)[NH2+]C[C@H](O)CN1CCN(C)CC1	ZINC001348957466	917985237	/nfs/dbraw/zinc/98/52/37/917985237.db2.gz	GYKKRXVVQDHGCD-HOTGVXAUSA-N	1	3	313.490	-1.180	20	0		DAADHO
C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1	ZINC001353299256	918149036	/nfs/dbraw/zinc/14/90/36/918149036.db2.gz	METILFUAJVYFQN-GFCCVEGCSA-N	1	3	311.430	-1.312	20	0		DAADHO
C[C@H]([NH3+])CNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1	ZINC001353299258	918149051	/nfs/dbraw/zinc/14/90/51/918149051.db2.gz	METILFUAJVYFQN-LBPRGKRZSA-N	1	3	311.430	-1.312	20	0		DAADHO
Cn1ccc(=O)n(CCCNC[C@@H](O)C[NH+]2CCCC2)c1=O	ZINC001357165114	918274046	/nfs/dbraw/zinc/27/40/46/918274046.db2.gz	CJWQEGVTQDLJRX-CYBMUJFWSA-N	1	3	310.398	-1.017	20	0		DAADHO
C[NH+]1CCC(N2CCC(NC(=O)Cn3nnc(N)n3)CC2)CC1	ZINC001361996104	918436450	/nfs/dbraw/zinc/43/64/50/918436450.db2.gz	PNIXBTYNZCUYRZ-UHFFFAOYSA-N	1	3	322.417	-1.070	20	0		DAADHO
CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C2)CCC1	ZINC001366115918	919283276	/nfs/dbraw/zinc/28/32/76/919283276.db2.gz	USLWHSOPKQNQNL-MGCOHNPYSA-N	1	3	311.386	-1.098	20	0		DAADHO
CN(CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1)C1CCC1	ZINC001366382182	919319204	/nfs/dbraw/zinc/31/92/04/919319204.db2.gz	NIPYPJXFQCQZIJ-JTQLQIEISA-N	1	3	311.386	-1.144	20	0		DAADHO
NC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1	ZINC001366378705	919322565	/nfs/dbraw/zinc/32/25/65/919322565.db2.gz	HGZSJCNTIVXZHK-NWDGAFQWSA-N	1	3	323.397	-1.286	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCN1C	ZINC001366765122	919377433	/nfs/dbraw/zinc/37/74/33/919377433.db2.gz	RXZOFUMQVGYLFX-WDEREUQCSA-N	1	3	313.402	-1.027	20	0		DAADHO
CC[N@H+](C)CCC(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O	ZINC001367392785	919462179	/nfs/dbraw/zinc/46/21/79/919462179.db2.gz	DMBPVHSGFLCWNI-SNVBAGLBSA-N	1	3	301.391	-1.040	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O	ZINC001367392785	919462182	/nfs/dbraw/zinc/46/21/82/919462182.db2.gz	DMBPVHSGFLCWNI-SNVBAGLBSA-N	1	3	301.391	-1.040	20	0		DAADHO
CC(C)NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001367585172	919495471	/nfs/dbraw/zinc/49/54/71/919495471.db2.gz	FNHOMSYWWJBNHJ-JHJVBQTASA-N	1	3	314.430	-1.082	20	0		DAADHO
CC(C)NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001367585172	919495484	/nfs/dbraw/zinc/49/54/84/919495484.db2.gz	FNHOMSYWWJBNHJ-JHJVBQTASA-N	1	3	314.430	-1.082	20	0		DAADHO
C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCC(=O)NC2CC2)CC[N@@H+]1C	ZINC001367586362	919497427	/nfs/dbraw/zinc/49/74/27/919497427.db2.gz	GUPSXHAFMPONJL-RAIGVLPGSA-N	1	3	312.414	-1.328	20	0		DAADHO
C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCC(=O)NC2CC2)CC[N@H+]1C	ZINC001367586362	919497441	/nfs/dbraw/zinc/49/74/41/919497441.db2.gz	GUPSXHAFMPONJL-RAIGVLPGSA-N	1	3	312.414	-1.328	20	0		DAADHO
CC[N@H+](C)CCC(=O)NC[C@H](O)CN[C@H]1CCN(C)C1=O	ZINC001367626937	919539085	/nfs/dbraw/zinc/53/90/85/919539085.db2.gz	XRBCFEHEACKUFF-NEPJUHHUSA-N	1	3	300.403	-1.374	20	0		DAADHO
CC[N@@H+](C)CCC(=O)NC[C@H](O)CN[C@H]1CCN(C)C1=O	ZINC001367626937	919539094	/nfs/dbraw/zinc/53/90/94/919539094.db2.gz	XRBCFEHEACKUFF-NEPJUHHUSA-N	1	3	300.403	-1.374	20	0		DAADHO
CN(C)C(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001367628049	919539923	/nfs/dbraw/zinc/53/99/23/919539923.db2.gz	WMNPFVRQZCUZNY-RYUDHWBXSA-N	1	3	300.403	-1.517	20	0		DAADHO
CN(C)C(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001367628049	919539935	/nfs/dbraw/zinc/53/99/35/919539935.db2.gz	WMNPFVRQZCUZNY-RYUDHWBXSA-N	1	3	300.403	-1.517	20	0		DAADHO
CC(C)[C@@H](C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)[NH+](C)C	ZINC001367739659	919565402	/nfs/dbraw/zinc/56/54/02/919565402.db2.gz	WRSMAOBLBMTGDP-ONGXEEELSA-N	1	3	301.391	-1.138	20	0		DAADHO
CN1CCC[C@H]1C(=O)NCCN1CCC([NH2+]CC(N)=O)CC1	ZINC001368371818	919706664	/nfs/dbraw/zinc/70/66/64/919706664.db2.gz	YBTWLPDRGVVBNH-ZDUSSCGKSA-N	1	3	311.430	-1.264	20	0		DAADHO
C[C@@H](NCCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O	ZINC001368410919	919718968	/nfs/dbraw/zinc/71/89/68/919718968.db2.gz	ONKUTQIMKAXUKT-VXGBXAGGSA-N	1	3	300.403	-1.388	20	0		DAADHO
C[C@@H](NCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O	ZINC001368410919	919718952	/nfs/dbraw/zinc/71/89/52/919718952.db2.gz	ONKUTQIMKAXUKT-VXGBXAGGSA-N	1	3	300.403	-1.388	20	0		DAADHO
C[C@H](NCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O	ZINC001368410917	919719251	/nfs/dbraw/zinc/71/92/51/919719251.db2.gz	ONKUTQIMKAXUKT-RYUDHWBXSA-N	1	3	300.403	-1.388	20	0		DAADHO
C[C@H](NCCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O	ZINC001368410917	919719255	/nfs/dbraw/zinc/71/92/55/919719255.db2.gz	ONKUTQIMKAXUKT-RYUDHWBXSA-N	1	3	300.403	-1.388	20	0		DAADHO
CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CC(=O)NC)C1)N(C)C	ZINC001368513582	919735068	/nfs/dbraw/zinc/73/50/68/919735068.db2.gz	NFWUZZIQKKVGBT-VXGBXAGGSA-N	1	3	300.403	-1.110	20	0		DAADHO
C[C@H](NCC(N)=O)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1	ZINC001369147632	919822945	/nfs/dbraw/zinc/82/29/45/919822945.db2.gz	BUFNOUQZZQNSKJ-NWDGAFQWSA-N	1	3	310.398	-1.227	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)CC[NH+](C)C	ZINC001369273492	919836236	/nfs/dbraw/zinc/83/62/36/919836236.db2.gz	DLVLATZYHJLZDR-JTQLQIEISA-N	1	3	301.391	-1.170	20	0		DAADHO
Cn1ccc(CN[C@H](CO)CNC(=O)CC[NH+](C)C)cc1=O	ZINC001369350010	919888699	/nfs/dbraw/zinc/88/86/99/919888699.db2.gz	QTFCIRCOFQFJFA-ZDUSSCGKSA-N	1	3	310.398	-1.096	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCN1C	ZINC001369354291	919892011	/nfs/dbraw/zinc/89/20/11/919892011.db2.gz	UVOQZCXVYHLQTA-WDEREUQCSA-N	1	3	313.402	-1.027	20	0		DAADHO
CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C)N(C)C	ZINC001369476927	919951292	/nfs/dbraw/zinc/95/12/92/919951292.db2.gz	TYYVDIDWFGMXQL-RYUDHWBXSA-N	1	3	302.419	-1.176	20	0		DAADHO
CC[N@H+](C)CCC(=O)N(C)C[C@H](O)CN[C@@H]1CCNC1=O	ZINC001369481306	919956258	/nfs/dbraw/zinc/95/62/58/919956258.db2.gz	QBZGNUCFFKMVPO-VXGBXAGGSA-N	1	3	300.403	-1.374	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N(C)C[C@H](O)CN[C@@H]1CCNC1=O	ZINC001369481306	919956267	/nfs/dbraw/zinc/95/62/67/919956267.db2.gz	QBZGNUCFFKMVPO-VXGBXAGGSA-N	1	3	300.403	-1.374	20	0		DAADHO
CN(C[C@H](O)CNCC(=O)N1CCC1)C(=O)CC[NH+](C)C	ZINC001369483688	919956984	/nfs/dbraw/zinc/95/69/84/919956984.db2.gz	LOSSOKLNHVGDSO-GFCCVEGCSA-N	1	3	300.403	-1.421	20	0		DAADHO
CC(C)[C@H](C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)[NH+](C)C	ZINC001371435055	920250994	/nfs/dbraw/zinc/25/09/94/920250994.db2.gz	WVOFXOLNMVTTIF-MWLCHTKSSA-N	1	3	301.391	-1.138	20	0		DAADHO
CC[C@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O)N(C)C	ZINC001371463082	920262277	/nfs/dbraw/zinc/26/22/77/920262277.db2.gz	VGJGIYLXKCCYNL-JHJVBQTASA-N	1	3	314.430	-1.034	20	0		DAADHO
C[C@H](NCCN(C)C(=O)CCC[NH+](C)C)C(=O)NC(N)=O	ZINC001372948936	920438271	/nfs/dbraw/zinc/43/82/71/920438271.db2.gz	RMTRNWSDCCCENN-JTQLQIEISA-N	1	3	301.391	-1.040	20	0		DAADHO
C[C@H](NCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NC(N)=O	ZINC001372942578	920439480	/nfs/dbraw/zinc/43/94/80/920439480.db2.gz	FXIHHHZLXAZILA-MNOVXSKESA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@H](NCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)NC(N)=O	ZINC001372942578	920439488	/nfs/dbraw/zinc/43/94/88/920439488.db2.gz	FXIHHHZLXAZILA-MNOVXSKESA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@@H](NCCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)NC(N)=O	ZINC001372953590	920442345	/nfs/dbraw/zinc/44/23/45/920442345.db2.gz	YXGSORVSCZPLFT-SNVBAGLBSA-N	1	3	313.402	-1.040	20	0		DAADHO
CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O)N(C)C	ZINC001374284375	920599170	/nfs/dbraw/zinc/59/91/70/920599170.db2.gz	UWFUOGFGQIISOH-UWVGGRQHSA-N	1	3	301.391	-1.042	20	0		DAADHO
CNC(=O)[C@H](C)NCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1	ZINC001376546209	920975928	/nfs/dbraw/zinc/97/59/28/920975928.db2.gz	DKXPYQUIJCUJKW-QWHCGFSZSA-N	1	3	314.430	-1.127	20	0		DAADHO
CNC(=O)[C@H](C)NCCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001376546209	920975938	/nfs/dbraw/zinc/97/59/38/920975938.db2.gz	DKXPYQUIJCUJKW-QWHCGFSZSA-N	1	3	314.430	-1.127	20	0		DAADHO
CN(C)C(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1	ZINC001376857014	921045357	/nfs/dbraw/zinc/04/53/57/921045357.db2.gz	CGUPYWXWTMDMAO-OLZOCXBDSA-N	1	3	312.414	-1.157	20	0		DAADHO
CN(C)C(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1	ZINC001376857014	921045375	/nfs/dbraw/zinc/04/53/75/921045375.db2.gz	CGUPYWXWTMDMAO-OLZOCXBDSA-N	1	3	312.414	-1.157	20	0		DAADHO
CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C1(N(C)C)CCC1	ZINC001379208345	922075431	/nfs/dbraw/zinc/07/54/31/922075431.db2.gz	SFAPJPITFKEJOU-WDEREUQCSA-N	1	3	300.403	-1.328	20	0		DAADHO
CN(C)C1(C(=O)NC[C@H](O)C[NH2+][C@H]2CCN(C)C2=O)CCC1	ZINC001379208431	922076512	/nfs/dbraw/zinc/07/65/12/922076512.db2.gz	SPIVCEKUZCNCER-NEPJUHHUSA-N	1	3	312.414	-1.232	20	0		DAADHO
CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C1(N(C)C)CCC1	ZINC001379208343	922076891	/nfs/dbraw/zinc/07/68/91/922076891.db2.gz	SFAPJPITFKEJOU-QWRGUYRKSA-N	1	3	300.403	-1.328	20	0		DAADHO
C[C@H]1CCN(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)C1	ZINC001379241030	922091802	/nfs/dbraw/zinc/09/18/02/922091802.db2.gz	JNHXXRJKYAWZPB-RYUDHWBXSA-N	1	3	300.403	-1.517	20	0		DAADHO
C[C@H]([NH2+]C[C@@H](O)CNC(=O)CN(C)CC(C)(C)C)C(N)=O	ZINC001379241046	922092697	/nfs/dbraw/zinc/09/26/97/922092697.db2.gz	JPBWEGQIDMNYFT-WDEREUQCSA-N	1	3	302.419	-1.095	20	0		DAADHO
C[NH+](C)Cc1ccc(C(=O)NC[C@@H](O)CNCC(N)=O)cc1	ZINC001379255001	922101798	/nfs/dbraw/zinc/10/17/98/922101798.db2.gz	BODFYFVGLVGIRN-ZDUSSCGKSA-N	1	3	308.382	-1.086	20	0		DAADHO
CCNC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001379258940	922104318	/nfs/dbraw/zinc/10/43/18/922104318.db2.gz	NHBUDPULMZLTDF-RYUDHWBXSA-N	1	3	300.403	-1.469	20	0		DAADHO
CCNC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001379258940	922104330	/nfs/dbraw/zinc/10/43/30/922104330.db2.gz	NHBUDPULMZLTDF-RYUDHWBXSA-N	1	3	300.403	-1.469	20	0		DAADHO
C[NH+]1CCC(CC(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)CC1	ZINC001379258432	922104897	/nfs/dbraw/zinc/10/48/97/922104897.db2.gz	PKWHJQDJPIDRGT-STQMWFEESA-N	1	3	312.414	-1.327	20	0		DAADHO
O=C(CCC[NH+]1CCCC1)NC[C@H](O)CN[C@H]1CCNC1=O	ZINC001379287932	922115572	/nfs/dbraw/zinc/11/55/72/922115572.db2.gz	ILNJXFSXGDAKTM-OLZOCXBDSA-N	1	3	312.414	-1.182	20	0		DAADHO
O=C(CCC[NH+]1CCCC1)NC[C@H](O)CN[C@@H]1CCNC1=O	ZINC001379287929	922115864	/nfs/dbraw/zinc/11/58/64/922115864.db2.gz	ILNJXFSXGDAKTM-CHWSQXEVSA-N	1	3	312.414	-1.182	20	0		DAADHO
C[C@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)C1	ZINC001379473866	922191282	/nfs/dbraw/zinc/19/12/82/922191282.db2.gz	COYHCVCNWJUPRL-STQMWFEESA-N	1	3	310.402	-1.313	20	0		DAADHO
CN1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1	ZINC001379473562	922193146	/nfs/dbraw/zinc/19/31/46/922193146.db2.gz	QLESMMSAUSHVEI-OLZOCXBDSA-N	1	3	312.414	-1.230	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCCN2CCNC2=O)C1	ZINC001379531333	922222734	/nfs/dbraw/zinc/22/27/34/922222734.db2.gz	VQADKLCGBXZBHO-RYUDHWBXSA-N	1	3	313.402	-1.970	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCCN2CCNC2=O)C1	ZINC001379531333	922222745	/nfs/dbraw/zinc/22/27/45/922222745.db2.gz	VQADKLCGBXZBHO-RYUDHWBXSA-N	1	3	313.402	-1.970	20	0		DAADHO
CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1	ZINC001379601973	922233998	/nfs/dbraw/zinc/23/39/98/922233998.db2.gz	WWIWYBSEDNKWOG-QWRGUYRKSA-N	1	3	313.402	-1.122	20	0		DAADHO
CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001379601973	922234024	/nfs/dbraw/zinc/23/40/24/922234024.db2.gz	WWIWYBSEDNKWOG-QWRGUYRKSA-N	1	3	313.402	-1.122	20	0		DAADHO
CCNC(=O)CNC[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001379867709	922282439	/nfs/dbraw/zinc/28/24/39/922282439.db2.gz	HXXMFSJAWGWFCJ-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
CCNC(=O)CNC[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001379867709	922282454	/nfs/dbraw/zinc/28/24/54/922282454.db2.gz	HXXMFSJAWGWFCJ-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
CCNC(=O)CNC[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001379867702	922285166	/nfs/dbraw/zinc/28/51/66/922285166.db2.gz	HXXMFSJAWGWFCJ-QWHCGFSZSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCNC(=O)CNC[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001379867702	922285184	/nfs/dbraw/zinc/28/51/84/922285184.db2.gz	HXXMFSJAWGWFCJ-QWHCGFSZSA-N	1	3	314.430	-1.127	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)N[C@@H](CNCC(=O)NC(N)=O)C2CC2)C1	ZINC001379943419	922300818	/nfs/dbraw/zinc/30/08/18/922300818.db2.gz	YDUGYFJYHLLWGW-QWRGUYRKSA-N	1	3	311.386	-1.383	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)N[C@@H](CNCC(=O)NC(N)=O)C2CC2)C1	ZINC001379943419	922300826	/nfs/dbraw/zinc/30/08/26/922300826.db2.gz	YDUGYFJYHLLWGW-QWRGUYRKSA-N	1	3	311.386	-1.383	20	0		DAADHO
CC[C@H](C(=O)N(CCO)CC[NH2+][C@H]1CCN(C)C1=O)N(C)C	ZINC001380765493	922453821	/nfs/dbraw/zinc/45/38/21/922453821.db2.gz	MDADSBWALIACLW-QWHCGFSZSA-N	1	3	314.430	-1.032	20	0		DAADHO
CC(C)[C@H](C(=O)N1CCO[C@@H](CNCC(N)=O)C1)[NH+](C)C	ZINC001380913078	922475028	/nfs/dbraw/zinc/47/50/28/922475028.db2.gz	NYYVRHYBDPQSOF-WCQYABFASA-N	1	3	300.403	-1.125	20	0		DAADHO
CN1CCCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1	ZINC001381042907	922493824	/nfs/dbraw/zinc/49/38/24/922493824.db2.gz	ITPSDDFARUXPIN-WFASDCNBSA-N	1	3	312.414	-1.101	20	0		DAADHO
CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC(N)=O)N(C)C	ZINC001382433662	922747138	/nfs/dbraw/zinc/74/71/38/922747138.db2.gz	LKBKFFOTESUWTO-UWVGGRQHSA-N	1	3	317.390	-2.070	20	0		DAADHO
CC(C)NC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001382439926	922751243	/nfs/dbraw/zinc/75/12/43/922751243.db2.gz	HGJRFWUTNSYNJE-QWHCGFSZSA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)NC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001382439926	922751260	/nfs/dbraw/zinc/75/12/60/922751260.db2.gz	HGJRFWUTNSYNJE-QWHCGFSZSA-N	1	3	314.430	-1.128	20	0		DAADHO
CCCN(C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001382554857	922807100	/nfs/dbraw/zinc/80/71/00/922807100.db2.gz	DVAMISADLIUXGF-OLZOCXBDSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCCN(C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001382554857	922807114	/nfs/dbraw/zinc/80/71/14/922807114.db2.gz	DVAMISADLIUXGF-OLZOCXBDSA-N	1	3	314.430	-1.127	20	0		DAADHO
C[C@@H]1CCN(CC(=O)NC[C@@H](CO)NC(=O)CC[NH+](C)C)C1	ZINC001382632939	922825507	/nfs/dbraw/zinc/82/55/07/922825507.db2.gz	UJTYYALZMSUBIF-OLZOCXBDSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCCN(C)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001383926282	922978746	/nfs/dbraw/zinc/97/87/46/922978746.db2.gz	KVTSIMYJUPCUCI-OLZOCXBDSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCCN(C)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001383926282	922978754	/nfs/dbraw/zinc/97/87/54/922978754.db2.gz	KVTSIMYJUPCUCI-OLZOCXBDSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)CC[NH+](C)C	ZINC001390464979	923748076	/nfs/dbraw/zinc/74/80/76/923748076.db2.gz	FFNZWWOWTVORAS-JTQLQIEISA-N	1	3	301.391	-1.122	20	0		DAADHO
CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(=O)NC)C1	ZINC001390566343	923757685	/nfs/dbraw/zinc/75/76/85/923757685.db2.gz	XKYBYNYZIFBSFS-NSHDSACASA-N	1	3	313.402	-1.026	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(=O)NC)C1	ZINC001390566343	923757699	/nfs/dbraw/zinc/75/76/99/923757699.db2.gz	XKYBYNYZIFBSFS-NSHDSACASA-N	1	3	313.402	-1.026	20	0		DAADHO
C[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)NC(N)=O	ZINC001390584646	923760398	/nfs/dbraw/zinc/76/03/98/923760398.db2.gz	GQZSKVYNKAQRCR-VHSXEESVSA-N	1	3	322.369	-1.026	20	0		DAADHO
C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001392065205	923923731	/nfs/dbraw/zinc/92/37/31/923923731.db2.gz	OWWSRTHDTIJPMV-GMTAPVOTSA-N	1	3	313.402	-1.042	20	0		DAADHO
C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001392065205	923923745	/nfs/dbraw/zinc/92/37/45/923923745.db2.gz	OWWSRTHDTIJPMV-GMTAPVOTSA-N	1	3	313.402	-1.042	20	0		DAADHO
C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001392125878	923938619	/nfs/dbraw/zinc/93/86/19/923938619.db2.gz	QVAXITGIRGGANE-QWRGUYRKSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001392125878	923938630	/nfs/dbraw/zinc/93/86/30/923938630.db2.gz	QVAXITGIRGGANE-QWRGUYRKSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)C[C@H]1CC[N@H+](C)C1	ZINC001392125880	923938784	/nfs/dbraw/zinc/93/87/84/923938784.db2.gz	QVAXITGIRGGANE-WDEREUQCSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001392125880	923938796	/nfs/dbraw/zinc/93/87/96/923938796.db2.gz	QVAXITGIRGGANE-WDEREUQCSA-N	1	3	313.402	-1.040	20	0		DAADHO
CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O	ZINC001392135287	923942176	/nfs/dbraw/zinc/94/21/76/923942176.db2.gz	SDKXNTHZQOTOFW-JTQLQIEISA-N	1	3	301.391	-1.040	20	0		DAADHO
C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CC(=O)NC(N)=O	ZINC001392179581	923946192	/nfs/dbraw/zinc/94/61/92/923946192.db2.gz	HIDHHVIFCRISIP-GXSJLCMTSA-N	1	3	322.369	-1.026	20	0		DAADHO
CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001392374356	923986138	/nfs/dbraw/zinc/98/61/38/923986138.db2.gz	JVEKVKSGFMBBET-CHWSQXEVSA-N	1	3	312.414	-1.469	20	0		DAADHO
CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001392374362	923986829	/nfs/dbraw/zinc/98/68/29/923986829.db2.gz	JVEKVKSGFMBBET-QWHCGFSZSA-N	1	3	312.414	-1.469	20	0		DAADHO
CN(CC(=O)NC[C@H](O)C[NH2+][C@H]1CCN(C)C1=O)C1CCC1	ZINC001392376827	923988131	/nfs/dbraw/zinc/98/81/31/923988131.db2.gz	RADHILNUVROJCT-OLZOCXBDSA-N	1	3	312.414	-1.232	20	0		DAADHO
CN(C)C(=O)CNC[C@H](O)CNC(=O)C1CC[NH+](C)CC1	ZINC001392390002	924002309	/nfs/dbraw/zinc/00/23/09/924002309.db2.gz	FXWRNQJFUFKHQA-LBPRGKRZSA-N	1	3	300.403	-1.517	20	0		DAADHO
C[NH+](C)CCC(=O)NC[C@@H](O)CNCC(=O)N1CCCC1	ZINC001392396205	924010217	/nfs/dbraw/zinc/01/02/17/924010217.db2.gz	UUAUALQFRIIQAL-LBPRGKRZSA-N	1	3	300.403	-1.373	20	0		DAADHO
CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)CN1CC[C@H](C)C1	ZINC001392403336	924014198	/nfs/dbraw/zinc/01/41/98/924014198.db2.gz	UXUWSAWCIXWQHD-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
CC(C)[NH+]1CCC(C(=O)NC[C@H](O)CNCC(N)=O)CC1	ZINC001392409896	924017955	/nfs/dbraw/zinc/01/79/55/924017955.db2.gz	NCRBFZLTGXWZAS-GFCCVEGCSA-N	1	3	300.403	-1.341	20	0		DAADHO
CC(C)NC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001392427012	924028171	/nfs/dbraw/zinc/02/81/71/924028171.db2.gz	SLRLKXQNPOQSJZ-CHWSQXEVSA-N	1	3	314.430	-1.081	20	0		DAADHO
CC(C)NC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001392427012	924028183	/nfs/dbraw/zinc/02/81/83/924028183.db2.gz	SLRLKXQNPOQSJZ-CHWSQXEVSA-N	1	3	314.430	-1.081	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001392429979	924032074	/nfs/dbraw/zinc/03/20/74/924032074.db2.gz	SQOFDDYVAFBNAI-UWVGGRQHSA-N	1	3	315.374	-2.540	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001392429979	924032086	/nfs/dbraw/zinc/03/20/86/924032086.db2.gz	SQOFDDYVAFBNAI-UWVGGRQHSA-N	1	3	315.374	-2.540	20	0		DAADHO
C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)C12CC[NH+](CC1)C2	ZINC001392522708	924042434	/nfs/dbraw/zinc/04/24/34/924042434.db2.gz	CKWSTGICPJYZNM-NXEZZACHSA-N	1	3	311.386	-1.240	20	0		DAADHO
CC[C@@H](C(N)=O)N1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1	ZINC001393271703	924142923	/nfs/dbraw/zinc/14/29/23/924142923.db2.gz	BVQBGOUWWPFZOT-WFASDCNBSA-N	1	3	312.414	-1.101	20	0		DAADHO
CC[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CN2CCCC2)C1	ZINC001393271703	924142938	/nfs/dbraw/zinc/14/29/38/924142938.db2.gz	BVQBGOUWWPFZOT-WFASDCNBSA-N	1	3	312.414	-1.101	20	0		DAADHO
CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CN2CCCC2)C1	ZINC001393271703	924142950	/nfs/dbraw/zinc/14/29/50/924142950.db2.gz	BVQBGOUWWPFZOT-WFASDCNBSA-N	1	3	312.414	-1.101	20	0		DAADHO
C[C@H]([NH2+]C1CCN(CCNC(=O)Cc2cnc[nH]2)CC1)C(N)=O	ZINC001393423629	924197334	/nfs/dbraw/zinc/19/73/34/924197334.db2.gz	BCQAEUNZEHGNTC-NSHDSACASA-N	1	3	322.413	-1.004	20	0		DAADHO
CN1CC[C@@H](NCCN(CCO)C(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001393466627	924215032	/nfs/dbraw/zinc/21/50/32/924215032.db2.gz	DCHUKKWAERWVAI-CYBMUJFWSA-N	1	3	324.425	-1.277	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C	ZINC001393964122	924270777	/nfs/dbraw/zinc/27/07/77/924270777.db2.gz	BQBYGYDZCGSBGF-VHSXEESVSA-N	1	3	301.391	-1.124	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)CN1CCCC1	ZINC001394561777	924306927	/nfs/dbraw/zinc/30/69/27/924306927.db2.gz	YGZJVZCZIAFXKQ-LLVKDONJSA-N	1	3	313.402	-1.026	20	0		DAADHO
CN(C)Cc1ccsc1C(=O)NC[C@H](CO)[NH2+]CC(N)=O	ZINC001394584162	924322808	/nfs/dbraw/zinc/32/28/08/924322808.db2.gz	PZXKDIFTCXPVBZ-SNVBAGLBSA-N	1	3	314.411	-1.025	20	0		DAADHO
CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCC1)N(C)C	ZINC001394738072	924370580	/nfs/dbraw/zinc/37/05/80/924370580.db2.gz	BOAOTABOFJAYPM-QWHCGFSZSA-N	1	3	314.430	-1.032	20	0		DAADHO
CCN(CC)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1	ZINC001395737755	924456359	/nfs/dbraw/zinc/45/63/59/924456359.db2.gz	QBJYYRWYLAIWQM-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(CC)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001395737755	924456365	/nfs/dbraw/zinc/45/63/65/924456365.db2.gz	QBJYYRWYLAIWQM-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(CC)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1	ZINC001395737754	924457127	/nfs/dbraw/zinc/45/71/27/924457127.db2.gz	QBJYYRWYLAIWQM-QWHCGFSZSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(CC)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001395737754	924457131	/nfs/dbraw/zinc/45/71/31/924457131.db2.gz	QBJYYRWYLAIWQM-QWHCGFSZSA-N	1	3	314.430	-1.127	20	0		DAADHO
CN(CCN[C@@H]1CCNC1=O)C(=O)c1cnn(CC[NH+](C)C)c1	ZINC001400066942	924769039	/nfs/dbraw/zinc/76/90/39/924769039.db2.gz	QHNBUZMKOUIYCE-CYBMUJFWSA-N	1	3	322.413	-1.005	20	0		DAADHO
O=C(NC[C@H](O)CN[C@H]1CCNC1=O)C12CCC[NH+]1CCC2	ZINC001401548114	924885050	/nfs/dbraw/zinc/88/50/50/924885050.db2.gz	ANFMJZIBYJQUIC-NEPJUHHUSA-N	1	3	310.398	-1.430	20	0		DAADHO
CN1CC[C@H](NC[C@@H](O)CNC(=O)C2CC[NH+](C)CC2)C1=O	ZINC001401556185	924887972	/nfs/dbraw/zinc/88/79/72/924887972.db2.gz	NTXAQKAJUQUKHR-OLZOCXBDSA-N	1	3	312.414	-1.374	20	0		DAADHO
CN(C)C1(C(=O)NC[C@@H](O)C[NH2+][C@H]2CCCNC2=O)CCC1	ZINC001401556862	924889024	/nfs/dbraw/zinc/88/90/24/924889024.db2.gz	QRJRWLWLFXNHBV-RYUDHWBXSA-N	1	3	312.414	-1.184	20	0		DAADHO
CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O	ZINC001401560299	924890820	/nfs/dbraw/zinc/89/08/20/924890820.db2.gz	NKTMNKIWMKSGTM-VXGBXAGGSA-N	1	3	300.403	-1.199	20	0		DAADHO
CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@@H](O)CNCC(N)=O)C1	ZINC001401563094	924891915	/nfs/dbraw/zinc/89/19/15/924891915.db2.gz	VMHHJXMEZIUNOL-IINYFYTJSA-N	1	3	318.393	-1.249	20	0		DAADHO
CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@@H](O)CNCC(N)=O)C1	ZINC001401563094	924891926	/nfs/dbraw/zinc/89/19/26/924891926.db2.gz	VMHHJXMEZIUNOL-IINYFYTJSA-N	1	3	318.393	-1.249	20	0		DAADHO
CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001401563453	924892663	/nfs/dbraw/zinc/89/26/63/924892663.db2.gz	HXAJTZWLSSXING-SDDRHHMPSA-N	1	3	300.403	-1.471	20	0		DAADHO
CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC001401563453	924892666	/nfs/dbraw/zinc/89/26/66/924892666.db2.gz	HXAJTZWLSSXING-SDDRHHMPSA-N	1	3	300.403	-1.471	20	0		DAADHO
CNC(=O)CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1	ZINC001402252348	924954531	/nfs/dbraw/zinc/95/45/31/924954531.db2.gz	ZTEPKSBZQOQWJU-LBPRGKRZSA-N	1	3	312.414	-1.061	20	0		DAADHO
CNC(=O)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1	ZINC001402252348	924954537	/nfs/dbraw/zinc/95/45/37/924954537.db2.gz	ZTEPKSBZQOQWJU-LBPRGKRZSA-N	1	3	312.414	-1.061	20	0		DAADHO
CNC(=O)[C@H](C)N1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1	ZINC001402292863	924966154	/nfs/dbraw/zinc/96/61/54/924966154.db2.gz	ODBGZSAWBXFCCQ-WFASDCNBSA-N	1	3	312.414	-1.230	20	0		DAADHO
CC(C)N(C)CC(=O)NCCN1CCC([NH2+]CC(N)=O)CC1	ZINC001402431686	924994456	/nfs/dbraw/zinc/99/44/56/924994456.db2.gz	IQLZNQMFAZVIQR-UHFFFAOYSA-N	1	3	313.446	-1.018	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNCC(=O)N3CCC3)C2)C1	ZINC001402595881	925015670	/nfs/dbraw/zinc/01/56/70/925015670.db2.gz	KONJVIRXFFXPNO-KBPBESRZSA-N	1	3	324.425	-1.013	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNCC(=O)N3CCC3)C2)C1	ZINC001402595881	925015678	/nfs/dbraw/zinc/01/56/78/925015678.db2.gz	KONJVIRXFFXPNO-KBPBESRZSA-N	1	3	324.425	-1.013	20	0		DAADHO
CN(C)C(=O)CNC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001402605498	925017915	/nfs/dbraw/zinc/01/79/15/925017915.db2.gz	PYSRVACNGIMAHQ-LBPRGKRZSA-N	1	3	300.403	-1.157	20	0		DAADHO
C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCC(=O)NC(N)=O	ZINC001402769393	925028964	/nfs/dbraw/zinc/02/89/64/925028964.db2.gz	BZJNLWLTBRBWHY-QWRGUYRKSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2	ZINC001403049841	925049863	/nfs/dbraw/zinc/04/98/63/925049863.db2.gz	YIXZSGUXLKCLSG-NXEZZACHSA-N	1	3	311.386	-1.240	20	0		DAADHO
CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1	ZINC001403248524	925066205	/nfs/dbraw/zinc/06/62/05/925066205.db2.gz	CEMQOBWIUXIOMM-NSHDSACASA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCc1nc(=O)n(C)[nH]1	ZINC001403627298	925090474	/nfs/dbraw/zinc/09/04/74/925090474.db2.gz	JBJDJTWOHYVIIW-QWRGUYRKSA-N	1	3	310.402	-1.003	20	0		DAADHO
C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCc1nc(=O)n(C)[nH]1	ZINC001403627298	925090477	/nfs/dbraw/zinc/09/04/77/925090477.db2.gz	JBJDJTWOHYVIIW-QWRGUYRKSA-N	1	3	310.402	-1.003	20	0		DAADHO
CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O	ZINC001403624190	925091597	/nfs/dbraw/zinc/09/15/97/925091597.db2.gz	OEMMXEHRMCDPFT-SNVBAGLBSA-N	1	3	301.391	-1.042	20	0		DAADHO
CN(C[C@@H](O)CNCC(N)=O)C(=O)CC[C@H]1CCC[N@@H+]1C	ZINC001403854520	925155079	/nfs/dbraw/zinc/15/50/79/925155079.db2.gz	RPVJNQBYIVSRON-NEPJUHHUSA-N	1	3	300.403	-1.245	20	0		DAADHO
CN(C[C@@H](O)CNCC(N)=O)C(=O)CC[C@H]1CCC[N@H+]1C	ZINC001403854520	925155086	/nfs/dbraw/zinc/15/50/86/925155086.db2.gz	RPVJNQBYIVSRON-NEPJUHHUSA-N	1	3	300.403	-1.245	20	0		DAADHO
CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2	ZINC001403875081	925160356	/nfs/dbraw/zinc/16/03/56/925160356.db2.gz	FFMOORGYOVQJHY-NEPJUHHUSA-N	1	3	312.414	-1.374	20	0		DAADHO
CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O	ZINC001403878597	925162476	/nfs/dbraw/zinc/16/24/76/925162476.db2.gz	KSNFJNHHOSNXIX-STQMWFEESA-N	1	3	314.430	-1.034	20	0		DAADHO
CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O	ZINC001403878595	925162498	/nfs/dbraw/zinc/16/24/98/925162498.db2.gz	KSNFJNHHOSNXIX-QWHCGFSZSA-N	1	3	314.430	-1.034	20	0		DAADHO
C[C@H](CNCC(N)=O)N(C)C(=O)c1ccn(CC[NH+](C)C)n1	ZINC001405822010	925337354	/nfs/dbraw/zinc/33/73/54/925337354.db2.gz	YUMGLAKMZCKLDD-LLVKDONJSA-N	1	3	310.402	-1.020	20	0		DAADHO
CCCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001406217646	925360498	/nfs/dbraw/zinc/36/04/98/925360498.db2.gz	NGQOIQATTRRTCN-JHJVBQTASA-N	1	3	314.430	-1.081	20	0		DAADHO
CCCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001406217646	925360509	/nfs/dbraw/zinc/36/05/09/925360509.db2.gz	NGQOIQATTRRTCN-JHJVBQTASA-N	1	3	314.430	-1.081	20	0		DAADHO
CC(C)(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)N1CCCCC1	ZINC001406228624	925365770	/nfs/dbraw/zinc/36/57/70/925365770.db2.gz	YNWNBVVETONROC-LLVKDONJSA-N	1	3	300.403	-1.197	20	0		DAADHO
CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNCC(=O)NC	ZINC001406252545	925376546	/nfs/dbraw/zinc/37/65/46/925376546.db2.gz	XUCRRZPMUVPQFB-NEPJUHHUSA-N	1	3	300.403	-1.327	20	0		DAADHO
CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNCC(=O)NC	ZINC001406252545	925376557	/nfs/dbraw/zinc/37/65/57/925376557.db2.gz	XUCRRZPMUVPQFB-NEPJUHHUSA-N	1	3	300.403	-1.327	20	0		DAADHO
CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNCC(N)=O	ZINC001406254108	925378856	/nfs/dbraw/zinc/37/88/56/925378856.db2.gz	MTPBUGGENQRIQU-NWDGAFQWSA-N	1	3	300.403	-1.341	20	0		DAADHO
CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNCC(N)=O	ZINC001406254108	925378863	/nfs/dbraw/zinc/37/88/63/925378863.db2.gz	MTPBUGGENQRIQU-NWDGAFQWSA-N	1	3	300.403	-1.341	20	0		DAADHO
CN1CCC[C@@H](NC[C@@H](O)CNC(=O)CC[NH+](C)C)C1=O	ZINC001406253524	925379936	/nfs/dbraw/zinc/37/99/36/925379936.db2.gz	CRMXIYIWMRNCKP-VXGBXAGGSA-N	1	3	300.403	-1.374	20	0		DAADHO
CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1	ZINC001406263866	925385545	/nfs/dbraw/zinc/38/55/45/925385545.db2.gz	FZDHGAQQLVCJQJ-WDEREUQCSA-N	1	3	300.403	-1.471	20	0		DAADHO
O=C(CNC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)NCC1CC1	ZINC001406284048	925393698	/nfs/dbraw/zinc/39/36/98/925393698.db2.gz	OBXYDOVDYXOYPD-ZDUSSCGKSA-N	1	3	324.425	-1.325	20	0		DAADHO
CNC(=O)CNC[C@@H](O)CNC(=O)C1CC[NH+](C(C)C)CC1	ZINC001406297090	925398547	/nfs/dbraw/zinc/39/85/47/925398547.db2.gz	ZMWFJFRIRGPHDU-CYBMUJFWSA-N	1	3	314.430	-1.081	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)N(C)C	ZINC001406315692	925401340	/nfs/dbraw/zinc/40/13/40/925401340.db2.gz	ZFPUPEFYSRSDLC-VXGBXAGGSA-N	1	3	302.419	-1.130	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)NC[C@@H](C)NC(=O)CC[NH+](C)C	ZINC001406406072	925413404	/nfs/dbraw/zinc/41/34/04/925413404.db2.gz	MQMWSLPLKQEDIQ-ZJUUUORDSA-N	1	3	301.391	-1.124	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNCC(=O)NC(N)=O)C1	ZINC001407115864	925453292	/nfs/dbraw/zinc/45/32/92/925453292.db2.gz	SSGRMABIFWWTLD-WDEREUQCSA-N	1	3	311.386	-1.286	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNCC(=O)NC(N)=O)C1	ZINC001407115864	925453298	/nfs/dbraw/zinc/45/32/98/925453298.db2.gz	SSGRMABIFWWTLD-WDEREUQCSA-N	1	3	311.386	-1.286	20	0		DAADHO
O=C(N(CCO)CCN[C@H]1CCCNC1=O)C12CC[NH+](CC1)C2	ZINC001407658970	925515943	/nfs/dbraw/zinc/51/59/43/925515943.db2.gz	MIFJNLBBTWCUJV-ZDUSSCGKSA-N	1	3	324.425	-1.229	20	0		DAADHO
NC(=O)CNC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1	ZINC001407850672	925530923	/nfs/dbraw/zinc/53/09/23/925530923.db2.gz	DVLMMSYBSXPBOA-GFCCVEGCSA-N	1	3	310.398	-1.083	20	0		DAADHO
CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001408087009	925545714	/nfs/dbraw/zinc/54/57/14/925545714.db2.gz	ULMBDVSDYIUNNG-WDEREUQCSA-N	1	3	313.402	-1.042	20	0		DAADHO
CN1CCCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1	ZINC001408147387	925550834	/nfs/dbraw/zinc/55/08/34/925550834.db2.gz	WGSSZLCYAHESDE-GFCCVEGCSA-N	1	3	312.414	-1.101	20	0		DAADHO
C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)CN(C)C1CCC1)C(N)=O	ZINC001411036775	925803014	/nfs/dbraw/zinc/80/30/14/925803014.db2.gz	BSRREHCTTIDDBF-CMPLNLGQSA-N	1	3	300.403	-1.247	20	0		DAADHO
CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)C1(C[NH+](C)C)CC1	ZINC001411101612	925813641	/nfs/dbraw/zinc/81/36/41/925813641.db2.gz	WREWPZCUXRJTGT-NEPJUHHUSA-N	1	3	312.414	-1.374	20	0		DAADHO
CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)C1(C[NH+](C)C)CC1	ZINC001411101616	925813926	/nfs/dbraw/zinc/81/39/26/925813926.db2.gz	WREWPZCUXRJTGT-NWDGAFQWSA-N	1	3	312.414	-1.374	20	0		DAADHO
CN(C[C@H](O)CNCC(=O)N1CCC1)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001411138478	925819169	/nfs/dbraw/zinc/81/91/69/925819169.db2.gz	LVEWAOCBNPMCPJ-CHWSQXEVSA-N	1	3	312.414	-1.421	20	0		DAADHO
CN(C[C@H](O)CNCC(=O)N1CCC1)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001411138478	925819181	/nfs/dbraw/zinc/81/91/81/925819181.db2.gz	LVEWAOCBNPMCPJ-CHWSQXEVSA-N	1	3	312.414	-1.421	20	0		DAADHO
CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1	ZINC001413341238	926038693	/nfs/dbraw/zinc/03/86/93/926038693.db2.gz	QCNYFNWFNYFQHD-DGCLKSJQSA-N	1	3	323.397	-1.161	20	0		DAADHO
CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1	ZINC001413341238	926038704	/nfs/dbraw/zinc/03/87/04/926038704.db2.gz	QCNYFNWFNYFQHD-DGCLKSJQSA-N	1	3	323.397	-1.161	20	0		DAADHO
CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(=O)NC)N(C)C	ZINC001419775365	926500011	/nfs/dbraw/zinc/50/00/11/926500011.db2.gz	PFTQOOOMTVEUMM-VHSXEESVSA-N	1	3	301.391	-1.124	20	0		DAADHO
C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCCN(C)S(C)(=O)=O	ZINC001419927699	926509378	/nfs/dbraw/zinc/50/93/78/926509378.db2.gz	SIXDMHJIMXHPGV-VXGBXAGGSA-N	1	3	320.459	-1.076	20	0		DAADHO
C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCCN(C)S(C)(=O)=O	ZINC001419927699	926509389	/nfs/dbraw/zinc/50/93/89/926509389.db2.gz	SIXDMHJIMXHPGV-VXGBXAGGSA-N	1	3	320.459	-1.076	20	0		DAADHO
C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCC(=O)NC(N)=O)CC[N@@H+]1C	ZINC001420131996	926535822	/nfs/dbraw/zinc/53/58/22/926535822.db2.gz	WSGAHVOMZIERCW-OPRDCNLKSA-N	1	3	315.374	-2.412	20	0		DAADHO
C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCC(=O)NC(N)=O)CC[N@H+]1C	ZINC001420131996	926535830	/nfs/dbraw/zinc/53/58/30/926535830.db2.gz	WSGAHVOMZIERCW-OPRDCNLKSA-N	1	3	315.374	-2.412	20	0		DAADHO
CN1CC[C@@H](NC[C@@H](O)CNC(=O)C23CCC[NH+]2CCC3)C1=O	ZINC001420150658	926543870	/nfs/dbraw/zinc/54/38/70/926543870.db2.gz	GJMGXCXEZPUMBD-CHWSQXEVSA-N	1	3	324.425	-1.088	20	0		DAADHO
CN1CC[C@@H](NC[C@H](O)CNC(=O)C23CCC[NH+]2CCC3)C1=O	ZINC001420150680	926544759	/nfs/dbraw/zinc/54/47/59/926544759.db2.gz	GJMGXCXEZPUMBD-QWHCGFSZSA-N	1	3	324.425	-1.088	20	0		DAADHO
CC(C)CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001420185756	926555812	/nfs/dbraw/zinc/55/58/12/926555812.db2.gz	ANKYOOOCQXRKDH-OLZOCXBDSA-N	1	3	314.430	-1.223	20	0		DAADHO
CC(C)CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001420185756	926555818	/nfs/dbraw/zinc/55/58/18/926555818.db2.gz	ANKYOOOCQXRKDH-OLZOCXBDSA-N	1	3	314.430	-1.223	20	0		DAADHO
CC(C)CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001420185759	926556279	/nfs/dbraw/zinc/55/62/79/926556279.db2.gz	ANKYOOOCQXRKDH-QWHCGFSZSA-N	1	3	314.430	-1.223	20	0		DAADHO
CC(C)CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001420185759	926556286	/nfs/dbraw/zinc/55/62/86/926556286.db2.gz	ANKYOOOCQXRKDH-QWHCGFSZSA-N	1	3	314.430	-1.223	20	0		DAADHO
CN(C(=O)CNC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)C1CC1	ZINC001420197537	926561189	/nfs/dbraw/zinc/56/11/89/926561189.db2.gz	OQOULCMJQUYRMM-ZDUSSCGKSA-N	1	3	324.425	-1.230	20	0		DAADHO
NC(=O)CNC[C@H](O)CNC(=O)C1CC[NH+](CC2CC2)CC1	ZINC001420200991	926563289	/nfs/dbraw/zinc/56/32/89/926563289.db2.gz	WDRKJZRGFVFKOH-ZDUSSCGKSA-N	1	3	312.414	-1.340	20	0		DAADHO
O=C(CC[NH+]1CCCCC1)NC[C@H](O)CN[C@@H]1CCNC1=O	ZINC001420220852	926567883	/nfs/dbraw/zinc/56/78/83/926567883.db2.gz	YAFSYCZFMDXZGM-CHWSQXEVSA-N	1	3	312.414	-1.182	20	0		DAADHO
C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001420420521	926588918	/nfs/dbraw/zinc/58/89/18/926588918.db2.gz	KFAHPEXXBYARJK-GXSJLCMTSA-N	1	3	311.386	-1.383	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@H](C)NC(=O)CCC[NH+](C)C	ZINC001420459327	926594417	/nfs/dbraw/zinc/59/44/17/926594417.db2.gz	WBGUWHFYXRDJEP-JTQLQIEISA-N	1	3	301.391	-1.122	20	0		DAADHO
CNC(=O)CNC[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1	ZINC001421801818	926757621	/nfs/dbraw/zinc/75/76/21/926757621.db2.gz	LDMCRCWMDLAFQX-GFCCVEGCSA-N	1	3	300.403	-1.109	20	0		DAADHO
NC(=O)NC(=O)CNC1(CNC(=O)C23CC[NH+](CC2)C3)CCC1	ZINC001421793735	926757796	/nfs/dbraw/zinc/75/77/96/926757796.db2.gz	PYFQTODTDZQVKN-UHFFFAOYSA-N	1	3	323.397	-1.094	20	0		DAADHO
C[C@@H](NC[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O	ZINC001422333057	926835065	/nfs/dbraw/zinc/83/50/65/926835065.db2.gz	AFEZEMPBAUXMTI-NEPJUHHUSA-N	1	3	312.414	-1.197	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNCC(=O)N2CCCC2)C1	ZINC001422408850	926866097	/nfs/dbraw/zinc/86/60/97/926866097.db2.gz	WDGAGIZKBFCVIY-QWHCGFSZSA-N	1	3	312.414	-1.373	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNCC(=O)N2CCCC2)C1	ZINC001422408850	926866109	/nfs/dbraw/zinc/86/61/09/926866109.db2.gz	WDGAGIZKBFCVIY-QWHCGFSZSA-N	1	3	312.414	-1.373	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCCC2)C1	ZINC001422408855	926866866	/nfs/dbraw/zinc/86/68/66/926866866.db2.gz	WDGAGIZKBFCVIY-STQMWFEESA-N	1	3	312.414	-1.373	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCCC2)C1	ZINC001422408855	926866879	/nfs/dbraw/zinc/86/68/79/926866879.db2.gz	WDGAGIZKBFCVIY-STQMWFEESA-N	1	3	312.414	-1.373	20	0		DAADHO
CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(=O)NC)N(C)C	ZINC001422412964	926869342	/nfs/dbraw/zinc/86/93/42/926869342.db2.gz	VZMPHBUWAYLAJV-ZJUUUORDSA-N	1	3	317.390	-2.151	20	0		DAADHO
C[C@@H]1[C@H](C(=O)NC[C@H](CO)NCCn2cncn2)CC[N@@H+]1C	ZINC001423212749	926973393	/nfs/dbraw/zinc/97/33/93/926973393.db2.gz	LOPHKKVSORQIHR-JHJVBQTASA-N	1	3	310.402	-1.315	20	0		DAADHO
C[C@@H]1[C@H](C(=O)NC[C@H](CO)NCCn2cncn2)CC[N@H+]1C	ZINC001423212749	926973402	/nfs/dbraw/zinc/97/34/02/926973402.db2.gz	LOPHKKVSORQIHR-JHJVBQTASA-N	1	3	310.402	-1.315	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1	ZINC001423358038	927033891	/nfs/dbraw/zinc/03/38/91/927033891.db2.gz	QUAJPVGVXIXBEB-QWRGUYRKSA-N	1	3	313.402	-1.027	20	0		DAADHO
CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001423445919	927055048	/nfs/dbraw/zinc/05/50/48/927055048.db2.gz	QAMXRGDBWCFVGO-IJLUTSLNSA-N	1	3	300.403	-1.519	20	0		DAADHO
CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001423445919	927055062	/nfs/dbraw/zinc/05/50/62/927055062.db2.gz	QAMXRGDBWCFVGO-IJLUTSLNSA-N	1	3	300.403	-1.519	20	0		DAADHO
CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1	ZINC001423451632	927059804	/nfs/dbraw/zinc/05/98/04/927059804.db2.gz	IMGOLFQJKUTZIY-VXGBXAGGSA-N	1	3	314.430	-1.128	20	0		DAADHO
CN(C[C@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001423478858	927069941	/nfs/dbraw/zinc/06/99/41/927069941.db2.gz	LERRGNKZFMTDDS-CHWSQXEVSA-N	1	3	324.425	-1.278	20	0		DAADHO
CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001423487767	927073839	/nfs/dbraw/zinc/07/38/39/927073839.db2.gz	UZNDJFHIVJWUSR-NWDGAFQWSA-N	1	3	300.403	-1.565	20	0		DAADHO
CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001423487767	927073855	/nfs/dbraw/zinc/07/38/55/927073855.db2.gz	UZNDJFHIVJWUSR-NWDGAFQWSA-N	1	3	300.403	-1.565	20	0		DAADHO
CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCNC1=O	ZINC001423492680	927076402	/nfs/dbraw/zinc/07/64/02/927076402.db2.gz	IGILOQFQGDQZFS-VXGBXAGGSA-N	1	3	300.403	-1.376	20	0		DAADHO
CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCNC1=O	ZINC001423492675	927078151	/nfs/dbraw/zinc/07/81/51/927078151.db2.gz	IGILOQFQGDQZFS-RYUDHWBXSA-N	1	3	300.403	-1.376	20	0		DAADHO
CN1CC[C@@H](NCCN(CCO)C(=O)[C@H]2CC[N@H+](C)C2)C1=O	ZINC001424049049	927188634	/nfs/dbraw/zinc/18/86/34/927188634.db2.gz	JNDQYBARKHXFLC-QWHCGFSZSA-N	1	3	312.414	-1.421	20	0		DAADHO
CN1CC[C@@H](NCCN(CCO)C(=O)[C@H]2CC[N@@H+](C)C2)C1=O	ZINC001424049049	927188640	/nfs/dbraw/zinc/18/86/40/927188640.db2.gz	JNDQYBARKHXFLC-QWHCGFSZSA-N	1	3	312.414	-1.421	20	0		DAADHO
CN1CC[C@H](NCCN(CCO)C(=O)[C@@H]2CC[N@H+](C)C2)C1=O	ZINC001424049047	927188933	/nfs/dbraw/zinc/18/89/33/927188933.db2.gz	JNDQYBARKHXFLC-OLZOCXBDSA-N	1	3	312.414	-1.421	20	0		DAADHO
CN1CC[C@H](NCCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)C2)C1=O	ZINC001424049047	927188939	/nfs/dbraw/zinc/18/89/39/927188939.db2.gz	JNDQYBARKHXFLC-OLZOCXBDSA-N	1	3	312.414	-1.421	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1	ZINC001425411492	927352975	/nfs/dbraw/zinc/35/29/75/927352975.db2.gz	MWLGLTKISSIKJZ-STQMWFEESA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001425411492	927352994	/nfs/dbraw/zinc/35/29/94/927352994.db2.gz	MWLGLTKISSIKJZ-STQMWFEESA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001425411487	927353366	/nfs/dbraw/zinc/35/33/66/927353366.db2.gz	MWLGLTKISSIKJZ-OLZOCXBDSA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001425411487	927353380	/nfs/dbraw/zinc/35/33/80/927353380.db2.gz	MWLGLTKISSIKJZ-OLZOCXBDSA-N	1	3	314.430	-1.128	20	0		DAADHO
CNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)C[NH+]1CCC(C)CC1	ZINC001425819467	927462996	/nfs/dbraw/zinc/46/29/96/927462996.db2.gz	HVUIOIDQGBSNCJ-OLZOCXBDSA-N	1	3	314.430	-1.081	20	0		DAADHO
C[C@H](NC[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O	ZINC001426001344	927499348	/nfs/dbraw/zinc/49/93/48/927499348.db2.gz	PZBXRTOGRRYAGC-RYUDHWBXSA-N	1	3	312.414	-1.103	20	0		DAADHO
C[C@H](NC[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O	ZINC001426001340	927499902	/nfs/dbraw/zinc/49/99/02/927499902.db2.gz	PZBXRTOGRRYAGC-NWDGAFQWSA-N	1	3	312.414	-1.103	20	0		DAADHO
CN(C[C@H](O)CN[C@H]1CCCNC1=O)C(=O)CC[NH+](C)C	ZINC001426021919	927508491	/nfs/dbraw/zinc/50/84/91/927508491.db2.gz	FZQHLWYORYLDFE-NEPJUHHUSA-N	1	3	300.403	-1.374	20	0		DAADHO
CN(C[C@@H](O)CNCC(=O)NC(N)=O)C(=O)CC[NH+](C)C	ZINC001426021734	927509839	/nfs/dbraw/zinc/50/98/39/927509839.db2.gz	FUBUXSGLXVBAJH-VIFPVBQESA-N	1	3	303.363	-2.458	20	0		DAADHO
CN(C[C@@H](O)CNCC(=O)N1CCCC1)C(=O)CC[NH+](C)C	ZINC001426031616	927512571	/nfs/dbraw/zinc/51/25/71/927512571.db2.gz	SNEZPWODAQJVSW-ZDUSSCGKSA-N	1	3	314.430	-1.031	20	0		DAADHO
C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1O	ZINC001426669725	927570475	/nfs/dbraw/zinc/57/04/75/927570475.db2.gz	KSJJXMARNPXJKL-OLZOCXBDSA-N	1	3	323.397	-1.018	20	0		DAADHO
Cc1[nH]cnc1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001427909290	927703562	/nfs/dbraw/zinc/70/35/62/927703562.db2.gz	PTKRUXLCBGXKPU-NWDGAFQWSA-N	1	3	323.397	-1.194	20	0		DAADHO
Cc1[nH]cnc1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1	ZINC001427909290	927703571	/nfs/dbraw/zinc/70/35/71/927703571.db2.gz	PTKRUXLCBGXKPU-NWDGAFQWSA-N	1	3	323.397	-1.194	20	0		DAADHO
Cc1[nH]cnc1CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001427909288	927705249	/nfs/dbraw/zinc/70/52/49/927705249.db2.gz	PTKRUXLCBGXKPU-NEPJUHHUSA-N	1	3	323.397	-1.194	20	0		DAADHO
Cc1[nH]cnc1CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001427909288	927705258	/nfs/dbraw/zinc/70/52/58/927705258.db2.gz	PTKRUXLCBGXKPU-NEPJUHHUSA-N	1	3	323.397	-1.194	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001431536990	928055460	/nfs/dbraw/zinc/05/54/60/928055460.db2.gz	DHLKVKVFVVUCFR-OLZOCXBDSA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001431536990	928055471	/nfs/dbraw/zinc/05/54/71/928055471.db2.gz	DHLKVKVFVVUCFR-OLZOCXBDSA-N	1	3	314.430	-1.128	20	0		DAADHO
CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001438989951	928561059	/nfs/dbraw/zinc/56/10/59/928561059.db2.gz	JLCYYVBYHWNLDR-CHWSQXEVSA-N	1	3	312.414	-1.517	20	0		DAADHO
CNC(=O)CNC[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1	ZINC001439009380	928571775	/nfs/dbraw/zinc/57/17/75/928571775.db2.gz	BJMGSLIYYDEITK-LLVKDONJSA-N	1	3	300.403	-1.327	20	0		DAADHO
CN(C)C1(C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)CCC1	ZINC001439009420	928572377	/nfs/dbraw/zinc/57/23/77/928572377.db2.gz	ZARBHNNATVQZIH-SECBINFHSA-N	1	3	315.374	-2.268	20	0		DAADHO
CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C1(N(C)C)CCC1)C(N)=O	ZINC001439008597	928572675	/nfs/dbraw/zinc/57/26/75/928572675.db2.gz	YSELWVQFKYJNIK-GHMZBOCLSA-N	1	3	300.403	-1.199	20	0		DAADHO
CCCN(C)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O	ZINC001439044296	928591753	/nfs/dbraw/zinc/59/17/53/928591753.db2.gz	MFFRSGOQQQPDQG-RYUDHWBXSA-N	1	3	300.403	-1.374	20	0		DAADHO
CCCN(C)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O	ZINC001439044300	928591909	/nfs/dbraw/zinc/59/19/09/928591909.db2.gz	MFFRSGOQQQPDQG-VXGBXAGGSA-N	1	3	300.403	-1.374	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNCC(=O)NCC2CC2)C1	ZINC001439050579	928594003	/nfs/dbraw/zinc/59/40/03/928594003.db2.gz	ZSSCNEXVMFMJCD-QWHCGFSZSA-N	1	3	312.414	-1.469	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNCC(=O)NCC2CC2)C1	ZINC001439050579	928594009	/nfs/dbraw/zinc/59/40/09/928594009.db2.gz	ZSSCNEXVMFMJCD-QWHCGFSZSA-N	1	3	312.414	-1.469	20	0		DAADHO
C[C@@H]1CCN(CC(=O)N(CCO)CC[NH2+][C@@H]2CCNC2=O)C1	ZINC001440206997	928706456	/nfs/dbraw/zinc/70/64/56/928706456.db2.gz	PTYCMVGJKSMIRH-CHWSQXEVSA-N	1	3	312.414	-1.373	20	0		DAADHO
C[C@H]1CCN(CC(=O)N(CCO)CC[NH2+][C@@H]2CCNC2=O)C1	ZINC001440207000	928707471	/nfs/dbraw/zinc/70/74/71/928707471.db2.gz	PTYCMVGJKSMIRH-QWHCGFSZSA-N	1	3	312.414	-1.373	20	0		DAADHO
CCNC(=O)CNC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001440367030	928716649	/nfs/dbraw/zinc/71/66/49/928716649.db2.gz	BYRDZICFCYDMQJ-LBPRGKRZSA-N	1	3	300.403	-1.109	20	0		DAADHO
CCCN(C)CC(=O)N1CCO[C@H](C[NH2+]CC(=O)NC)C1	ZINC001440368945	928717182	/nfs/dbraw/zinc/71/71/82/928717182.db2.gz	IOQLGZMUVYCPME-GFCCVEGCSA-N	1	3	300.403	-1.109	20	0		DAADHO
CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)NC(N)=O)C1	ZINC001440592862	928732373	/nfs/dbraw/zinc/73/23/73/928732373.db2.gz	AYKPLCVFEMONKD-WDEREUQCSA-N	1	3	313.402	-1.040	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)NC(N)=O)C1	ZINC001440592862	928732376	/nfs/dbraw/zinc/73/23/76/928732376.db2.gz	AYKPLCVFEMONKD-WDEREUQCSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCC(=O)NC(N)=O	ZINC001441657033	928804267	/nfs/dbraw/zinc/80/42/67/928804267.db2.gz	WKZIPERJDJCVLI-SNVBAGLBSA-N	1	3	311.386	-1.286	20	0		DAADHO
C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCC(=O)NC(N)=O	ZINC001441657031	928804530	/nfs/dbraw/zinc/80/45/30/928804530.db2.gz	WKZIPERJDJCVLI-JTQLQIEISA-N	1	3	311.386	-1.286	20	0		DAADHO
CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCCN1C	ZINC001441717715	928838399	/nfs/dbraw/zinc/83/83/99/928838399.db2.gz	RDHPOAQSMJTKCH-VXGBXAGGSA-N	1	3	300.403	-1.374	20	0		DAADHO
CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCCN1C	ZINC001441717709	928838933	/nfs/dbraw/zinc/83/89/33/928838933.db2.gz	RDHPOAQSMJTKCH-NEPJUHHUSA-N	1	3	300.403	-1.374	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCCN2CCCC2=O)C1	ZINC001441795149	928867277	/nfs/dbraw/zinc/86/72/77/928867277.db2.gz	OBOGEWYVDFBLDN-STQMWFEESA-N	1	3	312.414	-1.373	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCCN2CCCC2=O)C1	ZINC001441795149	928867297	/nfs/dbraw/zinc/86/72/97/928867297.db2.gz	OBOGEWYVDFBLDN-STQMWFEESA-N	1	3	312.414	-1.373	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H](C)CNC(=O)CCC[NH+](C)C	ZINC001441940298	928884758	/nfs/dbraw/zinc/88/47/58/928884758.db2.gz	LYLCQJMGUVPYOW-SNVBAGLBSA-N	1	3	301.391	-1.122	20	0		DAADHO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)CC[N@@H+]1C	ZINC001441971479	928895163	/nfs/dbraw/zinc/89/51/63/928895163.db2.gz	IMOXWZLNUZHQMD-GRYCIOLGSA-N	1	3	300.403	-1.389	20	0		DAADHO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)CC[N@H+]1C	ZINC001441971479	928895171	/nfs/dbraw/zinc/89/51/71/928895171.db2.gz	IMOXWZLNUZHQMD-GRYCIOLGSA-N	1	3	300.403	-1.389	20	0		DAADHO
CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001442002365	928906235	/nfs/dbraw/zinc/90/62/35/928906235.db2.gz	VSYLVJCXGLUHJU-ZDUSSCGKSA-N	1	3	314.430	-1.175	20	0		DAADHO
CN(C[C@@H](O)CNCC(=O)NC(N)=O)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001442026900	928910888	/nfs/dbraw/zinc/91/08/88/928910888.db2.gz	DJXGRGJHMVGCMS-UWVGGRQHSA-N	1	3	315.374	-2.458	20	0		DAADHO
CN(C[C@@H](O)CNCC(=O)NC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001442026900	928910895	/nfs/dbraw/zinc/91/08/95/928910895.db2.gz	DJXGRGJHMVGCMS-UWVGGRQHSA-N	1	3	315.374	-2.458	20	0		DAADHO
CN(C[C@H](O)CNCC(=O)NC1CC1)C(=O)C12CC[NH+](CC1)C2	ZINC001442046457	928916249	/nfs/dbraw/zinc/91/62/49/928916249.db2.gz	RVRSPMRLVYIYEV-CYBMUJFWSA-N	1	3	324.425	-1.230	20	0		DAADHO
C[C@@H](NCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O	ZINC001443097108	928992055	/nfs/dbraw/zinc/99/20/55/928992055.db2.gz	HBQNWVCOPVAFBS-MNOVXSKESA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@@H](NCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O	ZINC001443097108	928992061	/nfs/dbraw/zinc/99/20/61/928992061.db2.gz	HBQNWVCOPVAFBS-MNOVXSKESA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@@H](NCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O	ZINC001443097106	928992176	/nfs/dbraw/zinc/99/21/76/928992176.db2.gz	HBQNWVCOPVAFBS-GHMZBOCLSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@@H](NCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O	ZINC001443097106	928992183	/nfs/dbraw/zinc/99/21/83/928992183.db2.gz	HBQNWVCOPVAFBS-GHMZBOCLSA-N	1	3	313.402	-1.040	20	0		DAADHO
CCN(C)C(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001445276448	929208877	/nfs/dbraw/zinc/20/88/77/929208877.db2.gz	MJADCNAVZCXCQA-QWHCGFSZSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(C)C(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001445276448	929208888	/nfs/dbraw/zinc/20/88/88/929208888.db2.gz	MJADCNAVZCXCQA-QWHCGFSZSA-N	1	3	314.430	-1.127	20	0		DAADHO
NC(=O)CNC1(CNC(=O)C23CC[NH+](CC2)C3)CCOCC1	ZINC001446720875	929307042	/nfs/dbraw/zinc/30/70/42/929307042.db2.gz	APQOGQQUWXEKJW-UHFFFAOYSA-N	1	3	310.398	-1.178	20	0		DAADHO
CN1CC[C@H](NC[C@@H]2CN(C(=O)CC[NH+](C)C)CCO2)C1=O	ZINC001447284345	929382151	/nfs/dbraw/zinc/38/21/51/929382151.db2.gz	BUHUYQMXFMTYQW-OLZOCXBDSA-N	1	3	312.414	-1.014	20	0		DAADHO
CNC(=O)CNC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1	ZINC001447292480	929382650	/nfs/dbraw/zinc/38/26/50/929382650.db2.gz	TWAAWOBUCIPXBS-CYBMUJFWSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[C@@H](N[C@@H](C)CN(C)C(=O)CC[NH+](C)C)C(=O)NC(N)=O	ZINC001448726926	929467382	/nfs/dbraw/zinc/46/73/82/929467382.db2.gz	ZKAYVNJNFJLBOO-VHSXEESVSA-N	1	3	301.391	-1.042	20	0		DAADHO
C[C@@H](CN(C)C(=O)CC[NH+](C)C)N[C@@H](C)C(=O)NC(N)=O	ZINC001448726923	929468005	/nfs/dbraw/zinc/46/80/05/929468005.db2.gz	ZKAYVNJNFJLBOO-UWVGGRQHSA-N	1	3	301.391	-1.042	20	0		DAADHO
C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)NCC(=O)NC(N)=O	ZINC001448727324	929468513	/nfs/dbraw/zinc/46/85/13/929468513.db2.gz	OIYZAQYTDKFHBR-WDEREUQCSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)NCC(=O)NC(N)=O	ZINC001448727324	929468518	/nfs/dbraw/zinc/46/85/18/929468518.db2.gz	OIYZAQYTDKFHBR-WDEREUQCSA-N	1	3	313.402	-1.040	20	0		DAADHO
NC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccn(-c2ccncc2)n1	ZINC001448901341	929511390	/nfs/dbraw/zinc/51/13/90/929511390.db2.gz	PLLYYSHACLJVHL-JTQLQIEISA-N	1	3	318.337	-1.567	20	0		DAADHO
CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1	ZINC001449141848	929551616	/nfs/dbraw/zinc/55/16/16/929551616.db2.gz	AEERDURIMZCUII-WCQYABFASA-N	1	3	314.430	-1.128	20	0		DAADHO
CCCN(C)CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCNC1=O	ZINC001449166434	929558726	/nfs/dbraw/zinc/55/87/26/929558726.db2.gz	XACOCFJNGQWVDV-NEPJUHHUSA-N	1	3	300.403	-1.374	20	0		DAADHO
CCCN(C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCNC1=O	ZINC001449166436	929559366	/nfs/dbraw/zinc/55/93/66/929559366.db2.gz	XACOCFJNGQWVDV-NWDGAFQWSA-N	1	3	300.403	-1.374	20	0		DAADHO
CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCC1	ZINC001449188477	929564188	/nfs/dbraw/zinc/56/41/88/929564188.db2.gz	MLMXOVJNVDUOES-ZDUSSCGKSA-N	1	3	314.430	-1.032	20	0		DAADHO
CN1CC[NH2+]C[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1	ZINC001548553511	930032157	/nfs/dbraw/zinc/03/21/57/930032157.db2.gz	NGHCRROEUFQECS-CQSZACIVSA-N	1	3	323.441	-1.343	20	0		DAADHO
N[C@@H]1C[C@H]2CN(C(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)CCN2C1=O	ZINC001552376088	930072238	/nfs/dbraw/zinc/07/22/38/930072238.db2.gz	OPYCCNBUWWPDOF-JFGNBEQYSA-N	1	3	318.381	-1.129	20	0		DAADHO
CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)[C@H](CN)C1	ZINC000583434835	372867326	/nfs/dbraw/zinc/86/73/26/372867326.db2.gz	FSPMACRUXZSQOI-CZUORRHYSA-N	1	3	323.441	-1.358	20	0		DAADHO
CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)[C@H](CN)C1	ZINC000583434835	372867328	/nfs/dbraw/zinc/86/73/28/372867328.db2.gz	FSPMACRUXZSQOI-CZUORRHYSA-N	1	3	323.441	-1.358	20	0		DAADHO
C[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CC1	ZINC000569624910	372871445	/nfs/dbraw/zinc/87/14/45/372871445.db2.gz	AEBNBQPLBGUXSC-VXGBXAGGSA-N	1	3	323.397	-2.033	20	0		DAADHO
C[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CC1	ZINC000569624910	372871458	/nfs/dbraw/zinc/87/14/58/372871458.db2.gz	AEBNBQPLBGUXSC-VXGBXAGGSA-N	1	3	323.397	-2.033	20	0		DAADHO
O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1nc(N2CCNCC2)n[nH]1	ZINC000572719641	372894651	/nfs/dbraw/zinc/89/46/51/372894651.db2.gz	KWNAGXQIVJXSMC-SECBINFHSA-N	1	3	322.373	-1.979	20	0		DAADHO
CCN(CC)CCN(CCOC)C(=O)C(=O)NC1C[NH2+]C1	ZINC000570148238	372909500	/nfs/dbraw/zinc/90/95/00/372909500.db2.gz	UPDNOJHYGAAGHO-UHFFFAOYSA-N	1	3	300.403	-1.109	20	0		DAADHO
N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]CCC3(F)F)CCN2C1=O	ZINC000565249784	372917346	/nfs/dbraw/zinc/91/73/46/372917346.db2.gz	IHKTZFYXUHBYKV-OPRDCNLKSA-N	1	3	317.340	-1.063	20	0		DAADHO
CC(C)(C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)N1CC[NH2+]CC1	ZINC000594873828	372995464	/nfs/dbraw/zinc/99/54/64/372995464.db2.gz	LHWORBACJDUDNQ-NWDGAFQWSA-N	1	3	309.414	-1.559	20	0		DAADHO
CC(C)(C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)N1CC[NH2+]CC1	ZINC000594873830	372995844	/nfs/dbraw/zinc/99/58/44/372995844.db2.gz	LHWORBACJDUDNQ-VXGBXAGGSA-N	1	3	309.414	-1.559	20	0		DAADHO
CC(C)(C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)N1CC[NH2+]CC1	ZINC000594873690	372995970	/nfs/dbraw/zinc/99/59/70/372995970.db2.gz	LHWORBACJDUDNQ-NEPJUHHUSA-N	1	3	309.414	-1.559	20	0		DAADHO
COC[C@]1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCCC[NH2+]1	ZINC000602528638	373064380	/nfs/dbraw/zinc/06/43/80/373064380.db2.gz	SEVFLMYRLAJAFU-XUJVJEKNSA-N	1	3	310.398	-1.085	20	0		DAADHO
CN1CCN(C[C@H](O)C[NH2+][C@@H](CO)CN2CCCC2)CC1	ZINC000571283908	373141773	/nfs/dbraw/zinc/14/17/73/373141773.db2.gz	FLYFIRINFVCIBA-HUUCEWRRSA-N	1	3	300.447	-1.359	20	0		DAADHO
O=C(CN1CCNCC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000638219531	373210237	/nfs/dbraw/zinc/21/02/37/373210237.db2.gz	KTYNFEXCVVMUQB-LLVKDONJSA-N	1	3	323.363	-1.156	20	0		DAADHO
CN(C)CCN1C[C@H](C(=O)N(C)CCOCC[NH3+])CC1=O	ZINC000638676512	373235699	/nfs/dbraw/zinc/23/56/99/373235699.db2.gz	XJSHCSODYKMVNL-GFCCVEGCSA-N	1	3	300.403	-1.170	20	0		DAADHO
CN(C)CCN1C[C@H](C(=O)NCCOCCC[NH3+])CC1=O	ZINC000638660260	373235919	/nfs/dbraw/zinc/23/59/19/373235919.db2.gz	BXDIZXLTGKSYIX-GFCCVEGCSA-N	1	3	300.403	-1.122	20	0		DAADHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](CO)NC(N)=O	ZINC000617506288	373264190	/nfs/dbraw/zinc/26/41/90/373264190.db2.gz	IWLCTWJHGDTREW-WDEREUQCSA-N	1	3	303.407	-1.596	20	0		DAADHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](CO)NC(N)=O	ZINC000617506288	373264197	/nfs/dbraw/zinc/26/41/97/373264197.db2.gz	IWLCTWJHGDTREW-WDEREUQCSA-N	1	3	303.407	-1.596	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)CS(=O)(=O)N(C)C	ZINC000572041245	373329678	/nfs/dbraw/zinc/32/96/78/373329678.db2.gz	FPPJWWPIEVYODU-UHFFFAOYSA-N	1	3	308.448	-1.170	20	0		DAADHO
CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CNCCO1	ZINC000419756688	373323992	/nfs/dbraw/zinc/32/39/92/373323992.db2.gz	BFYZWUHOLJEHNZ-LBPRGKRZSA-N	1	3	300.403	-1.061	20	0		DAADHO
CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CNCCO1	ZINC000419756688	373323997	/nfs/dbraw/zinc/32/39/97/373323997.db2.gz	BFYZWUHOLJEHNZ-LBPRGKRZSA-N	1	3	300.403	-1.061	20	0		DAADHO
CC(C)N(CCN(C)C)C(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000419873350	373324178	/nfs/dbraw/zinc/32/41/78/373324178.db2.gz	RURNCTHZMREYFD-UHFFFAOYSA-N	1	3	313.446	-1.194	20	0		DAADHO
[NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1	ZINC000419695163	373324210	/nfs/dbraw/zinc/32/42/10/373324210.db2.gz	MFZUTTHBIWRBDL-LBPRGKRZSA-N	1	3	312.414	-1.101	20	0		DAADHO
CCN1CCC[C@@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000419873931	373324342	/nfs/dbraw/zinc/32/43/42/373324342.db2.gz	SFKUEUXGSOFKFN-CYBMUJFWSA-N	1	3	311.430	-1.392	20	0		DAADHO
[NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1	ZINC000419695161	373324592	/nfs/dbraw/zinc/32/45/92/373324592.db2.gz	MFZUTTHBIWRBDL-GFCCVEGCSA-N	1	3	312.414	-1.101	20	0		DAADHO
CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(C)C[C@H]1CN	ZINC000572137518	373328494	/nfs/dbraw/zinc/32/84/94/373328494.db2.gz	ZAQTYECAGNWNIB-CHWSQXEVSA-N	1	3	313.446	-1.066	20	0		DAADHO
CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1	ZINC000643509835	373368552	/nfs/dbraw/zinc/36/85/52/373368552.db2.gz	YYOAWYHANKCIKB-ZDUSSCGKSA-N	1	3	313.446	-1.112	20	0		DAADHO
CCN(CC[NH3+])C(=O)C(=O)N(CCN(C)C)CCN(C)C	ZINC000629795325	373406040	/nfs/dbraw/zinc/40/60/40/373406040.db2.gz	JGQXPJLIGCNNBY-UHFFFAOYSA-N	1	3	301.435	-1.255	20	0		DAADHO
CN(C)[C@@H]1CCCN(C(=O)C(=O)N(C)CCOCC[NH3+])C1	ZINC000629796722	373407632	/nfs/dbraw/zinc/40/76/32/373407632.db2.gz	SAMXNIDLXJKFNO-GFCCVEGCSA-N	1	3	300.403	-1.027	20	0		DAADHO
C[NH2+]CCOCCN(C)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1	ZINC000629817544	373412974	/nfs/dbraw/zinc/41/29/74/373412974.db2.gz	PSDSLEBCAKIGFY-QWHCGFSZSA-N	1	3	312.414	-1.157	20	0		DAADHO
O=C(CN1CC[NH2+]CC1)NCc1cn(CCN2CCCC2)nn1	ZINC000630618598	373502819	/nfs/dbraw/zinc/50/28/19/373502819.db2.gz	ZMNFGFIXXJJINB-UHFFFAOYSA-N	1	3	321.429	-1.105	20	0		DAADHO
CN(C)CCN1C[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)CC1=O	ZINC000152722838	373514178	/nfs/dbraw/zinc/51/41/78/373514178.db2.gz	GVOISBDZHXEOEK-DOMZBBRYSA-N	1	3	314.430	-1.175	20	0		DAADHO
N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3C[NH2+]CCC3(F)F)CCN2C1=O	ZINC000565249781	373520303	/nfs/dbraw/zinc/52/03/03/373520303.db2.gz	IHKTZFYXUHBYKV-AEJSXWLSSA-N	1	3	317.340	-1.063	20	0		DAADHO
CN(C)CCN(CCN(C)C)C(=O)C(=O)NCC1([NH3+])CCC1	ZINC000578227187	373581941	/nfs/dbraw/zinc/58/19/41/373581941.db2.gz	IBNOJQZVBPMRDX-UHFFFAOYSA-N	1	3	313.446	-1.064	20	0		DAADHO
C[NH+](C)CCCN1C(=O)C[C@@H](NCCN2CCOCC2)C1=O	ZINC000567910961	373538935	/nfs/dbraw/zinc/53/89/35/373538935.db2.gz	JWVSIZSNCKJVTA-CYBMUJFWSA-N	1	3	312.414	-1.013	20	0		DAADHO
CN(C)CCN1C[C@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1=O	ZINC000567982293	373539723	/nfs/dbraw/zinc/53/97/23/373539723.db2.gz	UKMVEHSCFGKVBR-OLZOCXBDSA-N	1	3	312.414	-1.109	20	0		DAADHO
CC(C)[C@H](N)C(=O)NCC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC000574278914	373559125	/nfs/dbraw/zinc/55/91/25/373559125.db2.gz	LZCNMSSWBFDKJV-OCCSQVGLSA-N	1	3	311.430	-1.408	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cnn(C)c1	ZINC000581205600	373600279	/nfs/dbraw/zinc/60/02/79/373600279.db2.gz	DWKXBQPGTYBFME-UHFFFAOYSA-N	1	3	324.429	-1.012	20	0		DAADHO
CN(C)CCOCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1	ZINC000581665817	373601623	/nfs/dbraw/zinc/60/16/23/373601623.db2.gz	INNAUWXXBBRAAB-GFCCVEGCSA-N	1	3	300.403	-1.061	20	0		DAADHO
C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2COCCN2)C1	ZINC000627357848	373670903	/nfs/dbraw/zinc/67/09/03/373670903.db2.gz	SFLKSILMRYXMJG-QWHCGFSZSA-N	1	3	312.414	-1.061	20	0		DAADHO
C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2COCCN2)C1	ZINC000627357846	373671836	/nfs/dbraw/zinc/67/18/36/373671836.db2.gz	SFLKSILMRYXMJG-CHWSQXEVSA-N	1	3	312.414	-1.061	20	0		DAADHO
CCCN1CC[C@@H](NC(=O)C(=O)NCCOCC[NH2+]C)C1	ZINC000627428600	373676081	/nfs/dbraw/zinc/67/60/81/373676081.db2.gz	JLZSZCWVZPINGD-GFCCVEGCSA-N	1	3	300.403	-1.061	20	0		DAADHO
CN(C)CCN1C[C@@H](C(=O)NC[C@H]2C[NH2+]CCN2C)CC1=O	ZINC000649365964	545803150	/nfs/dbraw/zinc/80/31/50/545803150.db2.gz	AAFGZQQLFFMEHU-QWHCGFSZSA-N	1	3	311.430	-1.584	20	0		DAADHO
CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@H]1C[NH2+]CCO1	ZINC000662659615	409328451	/nfs/dbraw/zinc/32/84/51/409328451.db2.gz	NPRGVJSDNUYATE-LBPRGKRZSA-N	1	3	300.403	-1.157	20	0		DAADHO
CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@@H]1C[NH2+]CCO1	ZINC000662659612	409329208	/nfs/dbraw/zinc/32/92/08/409329208.db2.gz	NPRGVJSDNUYATE-GFCCVEGCSA-N	1	3	300.403	-1.157	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCS(=O)(=O)N1	ZINC000651263710	409364030	/nfs/dbraw/zinc/36/40/30/409364030.db2.gz	BBNNYJAINUYJSE-LLVKDONJSA-N	1	3	306.432	-1.370	20	0		DAADHO
CCO[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[C@H]1C[NH3+]	ZINC000652736257	409406560	/nfs/dbraw/zinc/40/65/60/409406560.db2.gz	BSKMSRSCBKDDOR-REWJHTLYSA-N	1	3	324.425	-1.029	20	0		DAADHO
C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1	ZINC000332591655	409462230	/nfs/dbraw/zinc/46/22/30/409462230.db2.gz	GFPLJESYNFIUMI-FRRDWIJNSA-N	1	3	310.398	-1.132	20	0		DAADHO
COCCNCC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000430897748	409567318	/nfs/dbraw/zinc/56/73/18/409567318.db2.gz	QPTQPXPQXDLKOH-LBPRGKRZSA-N	1	3	300.403	-1.074	20	0		DAADHO
COCCNCC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000430897748	409567324	/nfs/dbraw/zinc/56/73/24/409567324.db2.gz	QPTQPXPQXDLKOH-LBPRGKRZSA-N	1	3	300.403	-1.074	20	0		DAADHO
CCN1CCC[C@@H]1CNC(=O)C(=O)NCC[NH2+]CCOC	ZINC000420188269	409539216	/nfs/dbraw/zinc/53/92/16/409539216.db2.gz	SSAGWSINUAFONY-GFCCVEGCSA-N	1	3	300.403	-1.061	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCN(C)S1(=O)=O	ZINC000648770482	409640179	/nfs/dbraw/zinc/64/01/79/409640179.db2.gz	IOTISRGBFNWTGY-LBPRGKRZSA-N	1	3	320.459	-1.028	20	0		DAADHO
CCCN1CC[C@H](NC(=O)C(=O)NCC[NH2+]CCOC)C1	ZINC000659725176	409693747	/nfs/dbraw/zinc/69/37/47/409693747.db2.gz	YSHSQXHXRJGFTP-LBPRGKRZSA-N	1	3	300.403	-1.061	20	0		DAADHO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CN2CCN1CCC2	ZINC000649072685	409651034	/nfs/dbraw/zinc/65/10/34/409651034.db2.gz	HFNTURGGXOZWLU-KBPBESRZSA-N	1	3	323.441	-1.045	20	0		DAADHO
CN(C)CCN1C[C@H](C(=O)N2CCCO[C@H](C[NH3+])C2)CC1=O	ZINC000576282781	409657026	/nfs/dbraw/zinc/65/70/26/409657026.db2.gz	SSLRYZOSLIGTSG-CHWSQXEVSA-N	1	3	312.414	-1.027	20	0		DAADHO
CN(C)CCN1C[C@@H](C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1=O	ZINC000576348634	409657988	/nfs/dbraw/zinc/65/79/88/409657988.db2.gz	DSFMAXKRQJPXBJ-STQMWFEESA-N	1	3	311.430	-1.502	20	0		DAADHO
CN(C)CCN1C[C@@H](C(=O)N2CCCO[C@H](C[NH3+])C2)CC1=O	ZINC000576282783	409658835	/nfs/dbraw/zinc/65/88/35/409658835.db2.gz	SSLRYZOSLIGTSG-QWHCGFSZSA-N	1	3	312.414	-1.027	20	0		DAADHO
COCC[N@H+](C)C[C@H](O)CN1CCN(C)C[C@@H](C(=O)OC)C1	ZINC000568998308	409659762	/nfs/dbraw/zinc/65/97/62/409659762.db2.gz	TYTKNJPQSYOEHY-KGLIPLIRSA-N	1	3	317.430	-1.038	20	0		DAADHO
COCC[N@@H+](C)C[C@H](O)CN1CCN(C)C[C@@H](C(=O)OC)C1	ZINC000568998308	409659766	/nfs/dbraw/zinc/65/97/66/409659766.db2.gz	TYTKNJPQSYOEHY-KGLIPLIRSA-N	1	3	317.430	-1.038	20	0		DAADHO
CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H](N)CC[NH+](C)C	ZINC000662872863	409718657	/nfs/dbraw/zinc/71/86/57/409718657.db2.gz	DVCQWCPXHAWYDL-LBPRGKRZSA-N	1	3	301.435	-1.256	20	0		DAADHO
C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000436634944	409796482	/nfs/dbraw/zinc/79/64/82/409796482.db2.gz	NRSLXYJIDWMKCG-NSHDSACASA-N	1	3	310.402	-0.551	20	0		DAADHO
COCCCN(C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1	ZINC000419448976	263231510	/nfs/dbraw/zinc/23/15/10/263231510.db2.gz	JOOPQKMDWDESGL-LBPRGKRZSA-N	1	3	300.403	-1.061	20	0		DAADHO
CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)CCO1	ZINC000367045397	263238167	/nfs/dbraw/zinc/23/81/67/263238167.db2.gz	LETGIVXVWIBFOS-KGLIPLIRSA-N	1	3	310.398	-1.260	20	0		DAADHO
C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1	ZINC000419417084	263243909	/nfs/dbraw/zinc/24/39/09/263243909.db2.gz	WPGYYAVIWRZSKK-CHWSQXEVSA-N	1	3	312.414	-1.061	20	0		DAADHO
CCN(CC)CC(=O)N1CCN(C(=O)[C@H](C[NH3+])OC)CC1	ZINC000353473189	263254568	/nfs/dbraw/zinc/25/45/68/263254568.db2.gz	USLPJUSRTSGMHY-LBPRGKRZSA-N	1	3	300.403	-1.027	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(=O)N(C)C	ZINC000527373878	263268095	/nfs/dbraw/zinc/26/80/95/263268095.db2.gz	PJUCZPDDQGNXQX-UHFFFAOYSA-N	1	3	315.418	-1.857	20	0		DAADHO
COCCN(CCN(C)C)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1	ZINC000419856769	263270405	/nfs/dbraw/zinc/27/04/05/263270405.db2.gz	FTCBMVMLXVCSAM-GFCCVEGCSA-N	1	3	300.403	-1.124	20	0		DAADHO
C[C@@H](NC(=O)C(=O)N(CCN)CCO)C(C)(C)C[NH+](C)C	ZINC000419537227	263271162	/nfs/dbraw/zinc/27/11/62/263271162.db2.gz	CNRIFUMEKCSCDQ-LLVKDONJSA-N	1	3	302.419	-1.142	20	0		DAADHO
CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCC[NH2+]C1	ZINC000517342775	263278895	/nfs/dbraw/zinc/27/88/95/263278895.db2.gz	XCOJGWHMABYPBQ-ZDUSSCGKSA-N	1	3	313.446	-1.194	20	0		DAADHO
CC(C)N(CCN(C)C)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1	ZINC000423494070	263280860	/nfs/dbraw/zinc/28/08/60/263280860.db2.gz	CSZKIYNCGKFNOU-GFCCVEGCSA-N	1	3	300.403	-1.029	20	0		DAADHO
CN(CCOCCN(C)[C@@H]1COC[C@@H]1O)[C@@H]1COC[C@@H]1O	ZINC000352798054	263290275	/nfs/dbraw/zinc/29/02/75/263290275.db2.gz	XCKIXSRNFPTLRU-MQYQWHSLSA-N	1	3	304.387	-1.614	20	0		DAADHO
CN(CCOCC[N@H+](C)[C@@H]1COC[C@@H]1O)[C@@H]1COC[C@@H]1O	ZINC000352798054	263290276	/nfs/dbraw/zinc/29/02/76/263290276.db2.gz	XCKIXSRNFPTLRU-MQYQWHSLSA-N	1	3	304.387	-1.614	20	0		DAADHO
CN(CCOCC[N@@H+](C)[C@@H]1COC[C@@H]1O)[C@@H]1COC[C@@H]1O	ZINC000352798054	263290278	/nfs/dbraw/zinc/29/02/78/263290278.db2.gz	XCKIXSRNFPTLRU-MQYQWHSLSA-N	1	3	304.387	-1.614	20	0		DAADHO
CN(C)CCN1C[C@@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)CC1=O	ZINC000424046460	263310289	/nfs/dbraw/zinc/31/02/89/263310289.db2.gz	QOHJSQYOQDRFGM-RWMBFGLXSA-N	1	3	310.398	-1.404	20	0		DAADHO
CN(CCOCC[N@H+](C)[C@H]1COC[C@H]1O)[C@@H]1COC[C@@H]1O	ZINC000352798053	263320743	/nfs/dbraw/zinc/32/07/43/263320743.db2.gz	XCKIXSRNFPTLRU-LVEBTZEWSA-N	1	3	304.387	-1.614	20	0		DAADHO
CN(CCOCC[N@@H+](C)[C@H]1COC[C@H]1O)[C@@H]1COC[C@@H]1O	ZINC000352798053	263320745	/nfs/dbraw/zinc/32/07/45/263320745.db2.gz	XCKIXSRNFPTLRU-LVEBTZEWSA-N	1	3	304.387	-1.614	20	0		DAADHO
CN(CCOCC[N@H+](C)[C@@H]1COC[C@@H]1O)[C@H]1COC[C@H]1O	ZINC000352798053	263320748	/nfs/dbraw/zinc/32/07/48/263320748.db2.gz	XCKIXSRNFPTLRU-LVEBTZEWSA-N	1	3	304.387	-1.614	20	0		DAADHO
CN(CCOCC[N@@H+](C)[C@@H]1COC[C@@H]1O)[C@H]1COC[C@H]1O	ZINC000352798053	263320750	/nfs/dbraw/zinc/32/07/50/263320750.db2.gz	XCKIXSRNFPTLRU-LVEBTZEWSA-N	1	3	304.387	-1.614	20	0		DAADHO
COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1	ZINC001195277905	782062709	/nfs/dbraw/zinc/06/27/09/782062709.db2.gz	LOUREXUBPIMHJN-FDYHWXHSSA-N	1	3	301.387	-1.751	20	0		DAADHO
COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1	ZINC001195277905	782062721	/nfs/dbraw/zinc/06/27/21/782062721.db2.gz	LOUREXUBPIMHJN-FDYHWXHSSA-N	1	3	301.387	-1.751	20	0		DAADHO
CN1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)[C@H](CN)C1	ZINC000569359813	332049198	/nfs/dbraw/zinc/04/91/98/332049198.db2.gz	ROIWKOPMTDKORA-NWDGAFQWSA-N	1	3	307.402	-1.255	20	0		DAADHO
CN(C)CCN1C[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)CC1=O	ZINC000152723046	332484556	/nfs/dbraw/zinc/48/45/56/332484556.db2.gz	GVOISBDZHXEOEK-WFASDCNBSA-N	1	3	314.430	-1.175	20	0		DAADHO
COCCCN(C)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1	ZINC000351556833	545723454	/nfs/dbraw/zinc/72/34/54/545723454.db2.gz	HPBPVHCQLVKUQF-GFCCVEGCSA-N	1	3	300.403	-1.061	20	0		DAADHO
C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000331577060	545727341	/nfs/dbraw/zinc/72/73/41/545727341.db2.gz	WHRIIWKOMQPMNU-UONOGXRCSA-N	1	3	323.441	-1.297	20	0		DAADHO
CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cn1	ZINC000649340375	545801193	/nfs/dbraw/zinc/80/11/93/545801193.db2.gz	USSBFXLWFTZALA-IMRBUKKESA-N	1	3	320.397	-1.035	20	0		DAADHO
CN1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H](CN)C1	ZINC000656039827	545813863	/nfs/dbraw/zinc/81/38/63/545813863.db2.gz	IHLHUFFPWNNBJZ-XQQFMLRXSA-N	1	3	311.430	-1.456	20	0		DAADHO
CN(C)CCn1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)n1	ZINC000633029123	545849190	/nfs/dbraw/zinc/84/91/90/545849190.db2.gz	ITFQWFXHLRMRMH-QWRGUYRKSA-N	1	3	306.370	-1.044	20	0		DAADHO
COCCCN(C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C	ZINC000911177846	663138746	/nfs/dbraw/zinc/13/87/46/663138746.db2.gz	XTFDHNUECWMKCF-VXGBXAGGSA-N	1	3	300.403	-1.205	20	0		DAADHO
C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1)C(N)=O	ZINC001020405679	662306434	/nfs/dbraw/zinc/30/64/34/662306434.db2.gz	ACHZSXJSKYTNGU-PKMYUFOJSA-N	1	3	322.409	-1.040	20	0		DAADHO
C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1)C(N)=O	ZINC001020405678	662306717	/nfs/dbraw/zinc/30/67/17/662306717.db2.gz	ACHZSXJSKYTNGU-NWOIQLLASA-N	1	3	322.409	-1.040	20	0		DAADHO
O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1	ZINC000970104933	662343028	/nfs/dbraw/zinc/34/30/28/662343028.db2.gz	IJOMRLQOHXOCNV-SNVBAGLBSA-N	1	3	320.353	-1.306	20	0		DAADHO
NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1	ZINC001022451676	662393010	/nfs/dbraw/zinc/39/30/10/662393010.db2.gz	DVPPLPNTVWNNKI-DVOPFRQNSA-N	1	3	308.382	-1.428	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2O)C1	ZINC001023788281	662460111	/nfs/dbraw/zinc/46/01/11/662460111.db2.gz	VAGCODKMMGWTPL-CYZMBNFOSA-N	1	3	321.381	-1.408	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2O)C1	ZINC001023788281	662460117	/nfs/dbraw/zinc/46/01/17/662460117.db2.gz	VAGCODKMMGWTPL-CYZMBNFOSA-N	1	3	321.381	-1.408	20	0		DAADHO
COC[C@@H]1CNCCN1C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000905023779	662794667	/nfs/dbraw/zinc/79/46/67/662794667.db2.gz	VPCZNMSQFJSNIL-KBPBESRZSA-N	1	3	322.409	-1.094	20	0		DAADHO
CN1CC[N@H+](C)CC(C(=O)NC[C@H]2CN3CCN2CCC3)C1	ZINC000908029555	662799313	/nfs/dbraw/zinc/79/93/13/662799313.db2.gz	UCTOPVSESLDAJC-HNNXBMFYSA-N	1	3	309.458	-1.014	20	0		DAADHO
CN1CC[N@@H+](C)CC(C(=O)NC[C@H]2CN3CCN2CCC3)C1	ZINC000908029555	662799314	/nfs/dbraw/zinc/79/93/14/662799314.db2.gz	UCTOPVSESLDAJC-HNNXBMFYSA-N	1	3	309.458	-1.014	20	0		DAADHO
CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCNCCNCC1	ZINC000910979083	663135187	/nfs/dbraw/zinc/13/51/87/663135187.db2.gz	UNTCELKMECJYRI-ZDUSSCGKSA-N	1	3	313.446	-1.146	20	0		DAADHO
CN(CCNC(=O)C(=O)NCCN1CCC([NH3+])CC1)C1CC1	ZINC000911052603	663135981	/nfs/dbraw/zinc/13/59/81/663135981.db2.gz	DJAYYMXYIMZTLH-UHFFFAOYSA-N	1	3	311.430	-1.264	20	0		DAADHO
O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2	ZINC000911147811	663137251	/nfs/dbraw/zinc/13/72/51/663137251.db2.gz	JQZFDONIBOBSID-MEBFFEOJSA-N	1	3	322.409	-1.025	20	0		DAADHO
[NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1	ZINC000911148935	663137388	/nfs/dbraw/zinc/13/73/88/663137388.db2.gz	SYSUEHMUCAEKTH-XQQFMLRXSA-N	1	3	310.398	-1.085	20	0		DAADHO
CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCNCCNCC1	ZINC000911188252	663138397	/nfs/dbraw/zinc/13/83/97/663138397.db2.gz	SIOWGSPJSQHCCZ-CYBMUJFWSA-N	1	3	313.446	-1.146	20	0		DAADHO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCNCCNCC1	ZINC000911188252	663138399	/nfs/dbraw/zinc/13/83/99/663138399.db2.gz	SIOWGSPJSQHCCZ-CYBMUJFWSA-N	1	3	313.446	-1.146	20	0		DAADHO
CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCNCCNCC1	ZINC000911188253	663138898	/nfs/dbraw/zinc/13/88/98/663138898.db2.gz	SIOWGSPJSQHCCZ-ZDUSSCGKSA-N	1	3	313.446	-1.146	20	0		DAADHO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCNCCNCC1	ZINC000911188253	663138900	/nfs/dbraw/zinc/13/89/00/663138900.db2.gz	SIOWGSPJSQHCCZ-ZDUSSCGKSA-N	1	3	313.446	-1.146	20	0		DAADHO
CCO[C@@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)C[NH+](C)C	ZINC000911310819	663141682	/nfs/dbraw/zinc/14/16/82/663141682.db2.gz	NXPGCKJNOAGTNW-RYUDHWBXSA-N	1	3	316.402	-1.826	20	0		DAADHO
CN(CCO)CCN(C)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1	ZINC000912606840	663153837	/nfs/dbraw/zinc/15/38/37/663153837.db2.gz	YOQPTRJJFXZIKE-ZDUSSCGKSA-N	1	3	314.430	-1.221	20	0		DAADHO
NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1	ZINC000999765523	663563257	/nfs/dbraw/zinc/56/32/57/663563257.db2.gz	PAFCVKBOPNRTMO-BTJONVMOSA-N	1	3	322.409	-1.085	20	0		DAADHO
CN(C)CCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000804056440	663844702	/nfs/dbraw/zinc/84/47/02/663844702.db2.gz	KRQYSVBEBPTTFG-STQMWFEESA-N	1	3	312.414	-1.014	20	0		DAADHO
CN(C)CCN(C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000804056440	663844706	/nfs/dbraw/zinc/84/47/06/663844706.db2.gz	KRQYSVBEBPTTFG-STQMWFEESA-N	1	3	312.414	-1.014	20	0		DAADHO
CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000804056439	663844788	/nfs/dbraw/zinc/84/47/88/663844788.db2.gz	KRQYSVBEBPTTFG-QWHCGFSZSA-N	1	3	312.414	-1.014	20	0		DAADHO
CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000804056439	663844790	/nfs/dbraw/zinc/84/47/90/663844790.db2.gz	KRQYSVBEBPTTFG-QWHCGFSZSA-N	1	3	312.414	-1.014	20	0		DAADHO
O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000851685047	663896341	/nfs/dbraw/zinc/89/63/41/663896341.db2.gz	OVWOCTRWWYSHMP-BWAOXVRWSA-N	1	3	322.409	-1.166	20	0		DAADHO
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1	ZINC000861756032	663918493	/nfs/dbraw/zinc/91/84/93/663918493.db2.gz	SLSAPURVKXFPGA-WUHRBBMRSA-N	1	3	310.398	-1.168	20	0		DAADHO
C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)C3CNC3)CC2)C1	ZINC000923614232	663936154	/nfs/dbraw/zinc/93/61/54/663936154.db2.gz	PCCZNACXJBNDIS-LBPRGKRZSA-N	1	3	302.444	-1.000	20	0		DAADHO
C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)C3CNC3)CC2)C1	ZINC000923614232	663936155	/nfs/dbraw/zinc/93/61/55/663936155.db2.gz	PCCZNACXJBNDIS-LBPRGKRZSA-N	1	3	302.444	-1.000	20	0		DAADHO
COCC1(CNS(=O)(=O)N2CCNCC2)CC[NH2+]CC1	ZINC000923642346	663945116	/nfs/dbraw/zinc/94/51/16/663945116.db2.gz	CRYGGHLHYTWVTL-UHFFFAOYSA-N	1	3	306.432	-1.258	20	0		DAADHO
COCC[NH2+]C1CCN(S(=O)(=O)N2CCNCC2)CC1	ZINC000923653570	663948810	/nfs/dbraw/zinc/94/88/10/663948810.db2.gz	WDOVPERWMFTCJY-UHFFFAOYSA-N	1	3	306.432	-1.163	20	0		DAADHO
O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(S(=O)(=O)C2CNC2)C1	ZINC000923668779	663950983	/nfs/dbraw/zinc/95/09/83/663950983.db2.gz	LEDPDTPZYKMDDA-DVVUODLYSA-N	1	3	316.383	-1.845	20	0		DAADHO
O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000884560494	663964532	/nfs/dbraw/zinc/96/45/32/663964532.db2.gz	YTYQSYJMOSIEIB-RQJABVFESA-N	1	3	322.409	-1.071	20	0		DAADHO
O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000884560493	663964579	/nfs/dbraw/zinc/96/45/79/663964579.db2.gz	YTYQSYJMOSIEIB-RFQIPJPRSA-N	1	3	322.409	-1.071	20	0		DAADHO
O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000884560492	663965017	/nfs/dbraw/zinc/96/50/17/663965017.db2.gz	YTYQSYJMOSIEIB-CRWXNKLISA-N	1	3	322.409	-1.071	20	0		DAADHO
C[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)CN1CCN(C)CC1	ZINC000884669619	663965502	/nfs/dbraw/zinc/96/55/02/663965502.db2.gz	BBEXXUFNLOEJKP-RDBSUJKOSA-N	1	3	323.441	-1.441	20	0		DAADHO
C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC[C@H]21	ZINC000884725396	663966394	/nfs/dbraw/zinc/96/63/94/663966394.db2.gz	IKWHWFYNKBGIJM-FRRDWIJNSA-N	1	3	310.398	-1.356	20	0		DAADHO
C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC[C@H]21	ZINC000884725396	663966397	/nfs/dbraw/zinc/96/63/97/663966397.db2.gz	IKWHWFYNKBGIJM-FRRDWIJNSA-N	1	3	310.398	-1.356	20	0		DAADHO
O=C(C(=O)N1CCNCCNCC1)N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000926335490	663982067	/nfs/dbraw/zinc/98/20/67/663982067.db2.gz	RSSHUROMIHEDLC-CYBMUJFWSA-N	1	3	309.414	-1.686	20	0		DAADHO
O=C(C(=O)N1CCNCCNCC1)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000926335490	663982071	/nfs/dbraw/zinc/98/20/71/663982071.db2.gz	RSSHUROMIHEDLC-CYBMUJFWSA-N	1	3	309.414	-1.686	20	0		DAADHO
O=C(C(=O)N1CCNCCNCC1)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000926325205	663982271	/nfs/dbraw/zinc/98/22/71/663982271.db2.gz	GRXZTAQABUEOAD-AWEZNQCLSA-N	1	3	323.441	-1.296	20	0		DAADHO
[NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1	ZINC000926336643	663982509	/nfs/dbraw/zinc/98/25/09/663982509.db2.gz	ZBAGJSKSKKDDTK-IUODEOHRSA-N	1	3	310.398	-1.395	20	0		DAADHO
C[C@@H]1CN(C(=O)C(=O)N2CCNCCNCC2)C[C@@H]1[NH+](C)C	ZINC000926340255	663982906	/nfs/dbraw/zinc/98/29/06/663982906.db2.gz	FBJZTSYHNCFKAU-OLZOCXBDSA-N	1	3	311.430	-1.584	20	0		DAADHO
CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1	ZINC000926382271	663983657	/nfs/dbraw/zinc/98/36/57/663983657.db2.gz	IVKCKOCHUXHUIY-SWLSCSKDSA-N	1	3	312.414	-1.149	20	0		DAADHO
CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1	ZINC000926382268	663983782	/nfs/dbraw/zinc/98/37/82/663983782.db2.gz	IVKCKOCHUXHUIY-DOMZBBRYSA-N	1	3	312.414	-1.149	20	0		DAADHO
C[NH+](C)CCn1ccc(C(=O)N2CC[C@H](NCC(N)=O)C2)n1	ZINC001018861188	664590750	/nfs/dbraw/zinc/59/07/50/664590750.db2.gz	PWJIZUZLEXKRMP-NSHDSACASA-N	1	3	308.386	-1.266	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)Cc3c[nH]cn3)C2)C1	ZINC001043118981	678366852	/nfs/dbraw/zinc/36/68/52/678366852.db2.gz	QJMQGSWVNMTYIS-LLVKDONJSA-N	1	3	321.381	-1.407	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)Cc3c[nH]cn3)C2)C1	ZINC001043118981	678366856	/nfs/dbraw/zinc/36/68/56/678366856.db2.gz	QJMQGSWVNMTYIS-LLVKDONJSA-N	1	3	321.381	-1.407	20	0		DAADHO
CC[C@H](C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1)N(C)C	ZINC001043677074	678389330	/nfs/dbraw/zinc/38/93/30/678389330.db2.gz	FJXKTJXHQMDOAH-GFCCVEGCSA-N	1	3	314.430	-1.032	20	0		DAADHO
C[C@@H](CN1CCOCC1)C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1	ZINC001049215627	678577942	/nfs/dbraw/zinc/57/79/42/678577942.db2.gz	GRMPQBONULPPFL-MELADBBJSA-N	1	3	324.425	-1.170	20	0		DAADHO
C[C@@H](CN1CCOCC1)C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1	ZINC001049215627	678577946	/nfs/dbraw/zinc/57/79/46/678577946.db2.gz	GRMPQBONULPPFL-MELADBBJSA-N	1	3	324.425	-1.170	20	0		DAADHO
CN(C(=O)Cc1c[nH]cn1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O	ZINC001049630944	678584406	/nfs/dbraw/zinc/58/44/06/678584406.db2.gz	GBMVZUZCRDHNBB-STQMWFEESA-N	1	3	323.397	-1.066	20	0		DAADHO
C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1NCC(N)=O	ZINC001054653741	678634168	/nfs/dbraw/zinc/63/41/68/678634168.db2.gz	FMQHBYSCFPWWHQ-YPMHNXCESA-N	1	3	322.413	-1.020	20	0		DAADHO
CN(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)C1CC1	ZINC001070209058	678859012	/nfs/dbraw/zinc/85/90/12/678859012.db2.gz	KQVSLCQMTIABIU-HZSPNIEDSA-N	1	3	322.413	-1.048	20	0		DAADHO
CNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1	ZINC001202060223	782227278	/nfs/dbraw/zinc/22/72/78/782227278.db2.gz	VPWCFNZKPTXTIS-OLZOCXBDSA-N	1	3	312.414	-1.109	20	0		DAADHO
CNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1	ZINC001202060223	782227289	/nfs/dbraw/zinc/22/72/89/782227289.db2.gz	VPWCFNZKPTXTIS-OLZOCXBDSA-N	1	3	312.414	-1.109	20	0		DAADHO
COCCCN(C)CCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1	ZINC001119417678	782752875	/nfs/dbraw/zinc/75/28/75/782752875.db2.gz	SOZNMKYGOOOSJU-HAQNSBGRSA-N	1	3	300.403	-1.076	20	0		DAADHO
CN(CC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)Cc1c[nH]cn1	ZINC001266846885	775181028	/nfs/dbraw/zinc/18/10/28/775181028.db2.gz	KTUFGOWPCWKBBG-ZDUSSCGKSA-N	1	3	323.397	-1.017	20	0		DAADHO
CN(CCNCCNS(C)(=O)=O)C(=O)C[C@H]1CC[N@H+](C)C1	ZINC001266989156	775192320	/nfs/dbraw/zinc/19/23/20/775192320.db2.gz	UDFDVGGQFCQLLK-GFCCVEGCSA-N	1	3	320.459	-1.075	20	0		DAADHO
CN(CCNCCNS(C)(=O)=O)C(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001266989156	775192324	/nfs/dbraw/zinc/19/23/24/775192324.db2.gz	UDFDVGGQFCQLLK-GFCCVEGCSA-N	1	3	320.459	-1.075	20	0		DAADHO
CN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001267457063	775240848	/nfs/dbraw/zinc/24/08/48/775240848.db2.gz	RGYQOSDZOGJRBY-LLVKDONJSA-N	1	3	308.382	-1.065	20	0		DAADHO
NC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1	ZINC001127254193	775763603	/nfs/dbraw/zinc/76/36/03/775763603.db2.gz	CZMFZHJMTJNNLU-WDEREUQCSA-N	1	3	311.386	-1.239	20	0		DAADHO
NC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1	ZINC001127254193	775763616	/nfs/dbraw/zinc/76/36/16/775763616.db2.gz	CZMFZHJMTJNNLU-WDEREUQCSA-N	1	3	311.386	-1.239	20	0		DAADHO
C[C@@H](NCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)NC(N)=O	ZINC001127466493	775807302	/nfs/dbraw/zinc/80/73/02/775807302.db2.gz	OPSKBEVJEQTDPF-KOLCDFICSA-N	1	3	311.386	-1.383	20	0		DAADHO
CN1CC[C@@H](NCCNC(=O)c2ccn(CC[NH+](C)C)n2)C1=O	ZINC001127562055	775812762	/nfs/dbraw/zinc/81/27/62/775812762.db2.gz	ANXYEPBCUZTEQW-CYBMUJFWSA-N	1	3	322.413	-1.005	20	0		DAADHO
C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCNCC(N)=O)CC1	ZINC001127570696	775813961	/nfs/dbraw/zinc/81/39/61/775813961.db2.gz	CPHMZCRPYJJEGZ-OCCSQVGLSA-N	1	3	312.414	-1.076	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001127691048	775824090	/nfs/dbraw/zinc/82/40/90/775824090.db2.gz	ZEKBNNVMMFRBMQ-GHMZBOCLSA-N	1	3	313.402	-1.122	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001127691048	775824101	/nfs/dbraw/zinc/82/41/01/775824101.db2.gz	ZEKBNNVMMFRBMQ-GHMZBOCLSA-N	1	3	313.402	-1.122	20	0		DAADHO
CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC(=O)NC)CC[N@@H+]1C	ZINC001127695720	775825511	/nfs/dbraw/zinc/82/55/11/775825511.db2.gz	VBBUJMHFEQGZDB-WDEREUQCSA-N	1	3	313.402	-1.122	20	0		DAADHO
CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC(=O)NC)CC[N@H+]1C	ZINC001127695720	775825521	/nfs/dbraw/zinc/82/55/21/775825521.db2.gz	VBBUJMHFEQGZDB-WDEREUQCSA-N	1	3	313.402	-1.122	20	0		DAADHO
O=C(CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CC1	ZINC001127777786	775861420	/nfs/dbraw/zinc/86/14/20/775861420.db2.gz	BQNARQAIKAHUHT-OLZOCXBDSA-N	1	3	310.398	-1.166	20	0		DAADHO
O=C(CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC1CC1	ZINC001127777786	775861428	/nfs/dbraw/zinc/86/14/28/775861428.db2.gz	BQNARQAIKAHUHT-OLZOCXBDSA-N	1	3	310.398	-1.166	20	0		DAADHO
O=C(CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC1	ZINC001127779326	775863622	/nfs/dbraw/zinc/86/36/22/775863622.db2.gz	LGPWOCAJQIEOQF-QWHCGFSZSA-N	1	3	310.398	-1.212	20	0		DAADHO
O=C(CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC1	ZINC001127779326	775863627	/nfs/dbraw/zinc/86/36/27/775863627.db2.gz	LGPWOCAJQIEOQF-QWHCGFSZSA-N	1	3	310.398	-1.212	20	0		DAADHO
NC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001127779162	775863721	/nfs/dbraw/zinc/86/37/21/775863721.db2.gz	JQTBKRCDYOEFJI-ZJUUUORDSA-N	1	3	313.358	-2.250	20	0		DAADHO
NC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC001127779162	775863727	/nfs/dbraw/zinc/86/37/27/775863727.db2.gz	JQTBKRCDYOEFJI-ZJUUUORDSA-N	1	3	313.358	-2.250	20	0		DAADHO
NC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001127779161	775864974	/nfs/dbraw/zinc/86/49/74/775864974.db2.gz	JQTBKRCDYOEFJI-VHSXEESVSA-N	1	3	313.358	-2.250	20	0		DAADHO
NC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1	ZINC001127779161	775864978	/nfs/dbraw/zinc/86/49/78/775864978.db2.gz	JQTBKRCDYOEFJI-VHSXEESVSA-N	1	3	313.358	-2.250	20	0		DAADHO
CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](O)C3)C2)C1	ZINC001273069253	775976607	/nfs/dbraw/zinc/97/66/07/775976607.db2.gz	GUPHHQCCVSFFQU-ZDUSSCGKSA-N	1	3	324.425	-1.325	20	0		DAADHO
CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](O)C3)C2)C1	ZINC001273069253	775976615	/nfs/dbraw/zinc/97/66/15/775976615.db2.gz	GUPHHQCCVSFFQU-ZDUSSCGKSA-N	1	3	324.425	-1.325	20	0		DAADHO
CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O	ZINC001128552132	775984587	/nfs/dbraw/zinc/98/45/87/775984587.db2.gz	KPHLGFOJJLTLJL-VHSXEESVSA-N	1	3	319.381	-1.045	20	0		DAADHO
CN1CCN(CCC(=O)NCCN(CC[NH3+])N(O)N=O)CC1	ZINC001143237672	776052932	/nfs/dbraw/zinc/05/29/32/776052932.db2.gz	PRABPTJINVGMEG-UHFFFAOYSA-N	1	3	317.394	-1.712	20	0		DAADHO
CN(c1cnc(O[C@H]2CC[NH2+]C2)nc1)S(=O)(=O)CCN	ZINC001164296660	776116020	/nfs/dbraw/zinc/11/60/20/776116020.db2.gz	KAPFIBJGHGAKEB-JTQLQIEISA-N	1	3	301.372	-1.058	20	0		DAADHO
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CCC(=O)OC	ZINC001157323511	776380410	/nfs/dbraw/zinc/38/04/10/776380410.db2.gz	STDFEOQKLSRGRQ-UWVGGRQHSA-N	1	3	302.375	-1.373	20	0		DAADHO
C[NH+](C)[C@H](C(=O)NCCNCC(=O)N1CCOCC1)C1CC1	ZINC001129436472	776470839	/nfs/dbraw/zinc/47/08/39/776470839.db2.gz	PKYMFIPVBIRPHB-AWEZNQCLSA-N	1	3	312.414	-1.109	20	0		DAADHO
CN(C)[C@@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)C1CC1	ZINC001129437404	776471290	/nfs/dbraw/zinc/47/12/90/776471290.db2.gz	ZXNUMHMUPAVDEU-GFCCVEGCSA-N	1	3	320.459	-1.076	20	0		DAADHO
CNC(=O)NC(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](C)C	ZINC001129946987	776488330	/nfs/dbraw/zinc/48/83/30/776488330.db2.gz	DFMXTIUNAKXRSG-NSHDSACASA-N	1	3	301.391	-1.266	20	0		DAADHO
CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H](N)CSCC[NH3+]	ZINC001158005635	776519648	/nfs/dbraw/zinc/51/96/48/776519648.db2.gz	AIGLHHMDITYOIC-VHSXEESVSA-N	1	3	304.416	-1.631	20	0		DAADHO
CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131521948	776572142	/nfs/dbraw/zinc/57/21/42/776572142.db2.gz	MVGFVRMJBANBEG-AKUZOMFGSA-N	1	3	310.398	-1.310	20	0		DAADHO
CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1	ZINC001131521948	776572148	/nfs/dbraw/zinc/57/21/48/776572148.db2.gz	MVGFVRMJBANBEG-AKUZOMFGSA-N	1	3	310.398	-1.310	20	0		DAADHO
CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131521951	776572434	/nfs/dbraw/zinc/57/24/34/776572434.db2.gz	MVGFVRMJBANBEG-NGWKBDRKSA-N	1	3	310.398	-1.310	20	0		DAADHO
CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1	ZINC001131521951	776572442	/nfs/dbraw/zinc/57/24/42/776572442.db2.gz	MVGFVRMJBANBEG-NGWKBDRKSA-N	1	3	310.398	-1.310	20	0		DAADHO
O=C(NCC[NH2+]CCOCCO)[C@H]1CN2CC3CC2(C3)CO1	ZINC001131519298	776575266	/nfs/dbraw/zinc/57/52/66/776575266.db2.gz	CSYSHRVKGYVXOC-JVWICGRDSA-N	1	3	313.398	-1.436	20	0		DAADHO
CN(CCNCCNC(=O)C1CC[NH+](C)CC1)S(C)(=O)=O	ZINC001133286975	776663085	/nfs/dbraw/zinc/66/30/85/776663085.db2.gz	AOEZNKRRNAJCBF-UHFFFAOYSA-N	1	3	320.459	-1.075	20	0		DAADHO
CNC(=O)NC(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C	ZINC001133415560	776667585	/nfs/dbraw/zinc/66/75/85/776667585.db2.gz	DFMXTIUNAKXRSG-LLVKDONJSA-N	1	3	301.391	-1.266	20	0		DAADHO
CC(C)[C@H](C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)[NH+](C)C	ZINC001133434433	776667680	/nfs/dbraw/zinc/66/76/80/776667680.db2.gz	QJWVRKQLSWJOQC-VHSXEESVSA-N	1	3	301.391	-1.138	20	0		DAADHO
C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCNS(C)(=O)=O	ZINC001133823972	776678297	/nfs/dbraw/zinc/67/82/97/776678297.db2.gz	USFQIGUPOZTNPN-LLVKDONJSA-N	1	3	306.432	-1.274	20	0		DAADHO
C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCCN(C)S(C)(=O)=O	ZINC001133871216	776680527	/nfs/dbraw/zinc/68/05/27/776680527.db2.gz	YQALWLFKYFHNBQ-VXGBXAGGSA-N	1	3	320.459	-1.219	20	0		DAADHO
C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCCN(C)S(C)(=O)=O	ZINC001133871216	776680534	/nfs/dbraw/zinc/68/05/34/776680534.db2.gz	YQALWLFKYFHNBQ-VXGBXAGGSA-N	1	3	320.459	-1.219	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C	ZINC001133870631	776680885	/nfs/dbraw/zinc/68/08/85/776680885.db2.gz	UZERSURZBFOFCZ-MNOVXSKESA-N	1	3	313.402	-1.264	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C	ZINC001133870631	776680893	/nfs/dbraw/zinc/68/08/93/776680893.db2.gz	UZERSURZBFOFCZ-MNOVXSKESA-N	1	3	313.402	-1.264	20	0		DAADHO
C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCCN(C)S(C)(=O)=O	ZINC001133871213	776680931	/nfs/dbraw/zinc/68/09/31/776680931.db2.gz	YQALWLFKYFHNBQ-NEPJUHHUSA-N	1	3	320.459	-1.219	20	0		DAADHO
C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCCN(C)S(C)(=O)=O	ZINC001133871213	776680932	/nfs/dbraw/zinc/68/09/32/776680932.db2.gz	YQALWLFKYFHNBQ-NEPJUHHUSA-N	1	3	320.459	-1.219	20	0		DAADHO
C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCCNS(C)(=O)=O	ZINC001133862645	776681376	/nfs/dbraw/zinc/68/13/76/776681376.db2.gz	DYGJOPVMNOXIIS-MNOVXSKESA-N	1	3	306.432	-1.561	20	0		DAADHO
C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCCNS(C)(=O)=O	ZINC001133862645	776681380	/nfs/dbraw/zinc/68/13/80/776681380.db2.gz	DYGJOPVMNOXIIS-MNOVXSKESA-N	1	3	306.432	-1.561	20	0		DAADHO
CCN(CC)C[C@H](F)C(=O)NCCC[NH2+]CC(=O)NC(N)=O	ZINC001159148366	776697470	/nfs/dbraw/zinc/69/74/70/776697470.db2.gz	DPXFJDZDHAJUSN-JTQLQIEISA-N	1	3	319.381	-1.043	20	0		DAADHO
CNC(=O)NC(=O)CNCCNC(=O)CC1CC[NH+](C)CC1	ZINC001134780348	776723613	/nfs/dbraw/zinc/72/36/13/776723613.db2.gz	BPAZQXBGLICSKG-UHFFFAOYSA-N	1	3	313.402	-1.120	20	0		DAADHO
CNC(=O)[C@@H](C)NCCNC(=O)c1cnn(CC[NH+](C)C)c1	ZINC001135118443	776737638	/nfs/dbraw/zinc/73/76/38/776737638.db2.gz	MXBDREFQQNMLDJ-LLVKDONJSA-N	1	3	310.402	-1.101	20	0		DAADHO
CCN(CC)CC(=O)NCC[NH2+]CCNS(=O)(=O)CC	ZINC001135513697	776759895	/nfs/dbraw/zinc/75/98/95/776759895.db2.gz	VAXTVHOEENXBAV-UHFFFAOYSA-N	1	3	308.448	-1.027	20	0		DAADHO
CCN(CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC	ZINC001135513806	776760523	/nfs/dbraw/zinc/76/05/23/776760523.db2.gz	ZFVOHWZZTNOXKP-JTQLQIEISA-N	1	3	301.391	-1.122	20	0		DAADHO
CN1CCN(CCCCNC(=O)C(=O)NCC2([NH3+])CC2)CC1	ZINC001120420443	779519796	/nfs/dbraw/zinc/51/97/96/779519796.db2.gz	KMFHHYLGLDXDRF-UHFFFAOYSA-N	1	3	311.430	-1.262	20	0		DAADHO
[NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1	ZINC001120420645	779520645	/nfs/dbraw/zinc/52/06/45/779520645.db2.gz	MVWOZBRVBFNRSY-ZDEQEGDKSA-N	1	3	310.398	-1.181	20	0		DAADHO
CCCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001151048997	779669438	/nfs/dbraw/zinc/66/94/38/779669438.db2.gz	GNNDBMRHOSMKLX-LLVKDONJSA-N	1	3	313.402	-1.120	20	0		DAADHO
CCCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001151048997	779669442	/nfs/dbraw/zinc/66/94/42/779669442.db2.gz	GNNDBMRHOSMKLX-LLVKDONJSA-N	1	3	313.402	-1.120	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NC2CCOCC2)C1	ZINC001151048507	779669515	/nfs/dbraw/zinc/66/95/15/779669515.db2.gz	BXBCBNNUDGAGDA-LBPRGKRZSA-N	1	3	312.414	-1.061	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NC2CCOCC2)C1	ZINC001151048507	779669519	/nfs/dbraw/zinc/66/95/19/779669519.db2.gz	BXBCBNNUDGAGDA-LBPRGKRZSA-N	1	3	312.414	-1.061	20	0		DAADHO
CCS(=O)(=O)NCCNCCNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001151064688	779670429	/nfs/dbraw/zinc/67/04/29/779670429.db2.gz	CZDPLANQOBDEEM-NSHDSACASA-N	1	3	306.432	-1.417	20	0		DAADHO
CCS(=O)(=O)NCCNCCNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001151064688	779670432	/nfs/dbraw/zinc/67/04/32/779670432.db2.gz	CZDPLANQOBDEEM-NSHDSACASA-N	1	3	306.432	-1.417	20	0		DAADHO
CN(CCNCCNC(=O)[C@@H]1CC[N@H+](C)C1)S(C)(=O)=O	ZINC001151056374	779671355	/nfs/dbraw/zinc/67/13/55/779671355.db2.gz	MJJNWZXMAKPKBT-LLVKDONJSA-N	1	3	306.432	-1.465	20	0		DAADHO
CN(CCNCCNC(=O)[C@@H]1CC[N@@H+](C)C1)S(C)(=O)=O	ZINC001151056374	779671362	/nfs/dbraw/zinc/67/13/62/779671362.db2.gz	MJJNWZXMAKPKBT-LLVKDONJSA-N	1	3	306.432	-1.465	20	0		DAADHO
Cn1c(CNCCNC(=O)[C@@H]2CC[N@H+](C)C2)cc(=O)n(C)c1=O	ZINC001151073105	779671385	/nfs/dbraw/zinc/67/13/85/779671385.db2.gz	GBSZHHVPZYCOII-LLVKDONJSA-N	1	3	323.397	-1.759	20	0		DAADHO
Cn1c(CNCCNC(=O)[C@@H]2CC[N@@H+](C)C2)cc(=O)n(C)c1=O	ZINC001151073105	779671387	/nfs/dbraw/zinc/67/13/87/779671387.db2.gz	GBSZHHVPZYCOII-LLVKDONJSA-N	1	3	323.397	-1.759	20	0		DAADHO
CN(CCNCCNC(=O)[C@H]1CC[N@H+](C)C1)S(C)(=O)=O	ZINC001151056375	779671539	/nfs/dbraw/zinc/67/15/39/779671539.db2.gz	MJJNWZXMAKPKBT-NSHDSACASA-N	1	3	306.432	-1.465	20	0		DAADHO
CN(CCNCCNC(=O)[C@H]1CC[N@@H+](C)C1)S(C)(=O)=O	ZINC001151056375	779671543	/nfs/dbraw/zinc/67/15/43/779671543.db2.gz	MJJNWZXMAKPKBT-NSHDSACASA-N	1	3	306.432	-1.465	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@H](C[NH3+])[C@H]1C	ZINC001157846345	779759007	/nfs/dbraw/zinc/75/90/07/779759007.db2.gz	HCJWHZCLPUGTLJ-VLEAKVRGSA-N	1	3	313.402	-1.720	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@H](C[NH3+])[C@@H]1C	ZINC001157846344	779759056	/nfs/dbraw/zinc/75/90/56/779759056.db2.gz	HCJWHZCLPUGTLJ-NAKRPEOUSA-N	1	3	313.402	-1.720	20	0		DAADHO
[NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]2COC3(CNC3)CN2)CC1	ZINC001157739816	779759235	/nfs/dbraw/zinc/75/92/35/779759235.db2.gz	KAKNILPXMSZQHT-WCQYABFASA-N	1	3	300.378	-1.004	20	0		DAADHO
C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1)C(N)=O	ZINC001157810296	779759462	/nfs/dbraw/zinc/75/94/62/779759462.db2.gz	LEUOBFJOKYTMLQ-VPOLOUISSA-N	1	3	313.402	-1.720	20	0		DAADHO
O=C(N1CC(=O)N(C2CC2)C(=O)C1)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001157854010	779760107	/nfs/dbraw/zinc/76/01/07/779760107.db2.gz	WTWKTZUZQWRMKE-MEBBXXQBSA-N	1	3	306.366	-1.455	20	0		DAADHO
CCOC(=O)[C@@H]1CNCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001157998811	779764604	/nfs/dbraw/zinc/76/46/04/779764604.db2.gz	IDEIBGCSPDFFQN-TYNCELHUSA-N	1	3	310.398	-1.451	20	0		DAADHO
O=C([C@@H]1CC[C@@]2(C1)CNCCO2)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158091699	779765287	/nfs/dbraw/zinc/76/52/87/779765287.db2.gz	HAVWDTVTUDARQC-UHOFOFEASA-N	1	3	322.409	-1.164	20	0		DAADHO
O=C([C@H]1CNCc2ccnn2C1)N1CC(=O)NC[C@]12CC[NH2+]C2	ZINC001158091373	779766061	/nfs/dbraw/zinc/76/60/61/779766061.db2.gz	BUDUXMROOQBHRA-XHDPSFHLSA-N	1	3	318.381	-1.707	20	0		DAADHO
O=C([C@@H]1CC[C@]2(C1)CNCCO2)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158091698	779766241	/nfs/dbraw/zinc/76/62/41/779766241.db2.gz	HAVWDTVTUDARQC-KCXAZCMYSA-N	1	3	322.409	-1.164	20	0		DAADHO
COC(=O)CC[C@H](N)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158110790	779766903	/nfs/dbraw/zinc/76/69/03/779766903.db2.gz	ISQWWTGLHPXDJY-BONVTDFDSA-N	1	3	324.381	-1.795	20	0		DAADHO
O=C([C@@H]1CNC[C@@H](F)C1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158112160	779768130	/nfs/dbraw/zinc/76/81/30/779768130.db2.gz	WFXUSTORJDTOGW-ZIBATOQPSA-N	1	3	310.373	-1.128	20	0		DAADHO
N[C@@H](Cc1c[nH]cn1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158111501	779768234	/nfs/dbraw/zinc/76/82/34/779768234.db2.gz	ONUQVUBQIWAHHH-XHDPSFHLSA-N	1	3	318.381	-1.782	20	0		DAADHO
N[C@@H](Cc1cnc[nH]1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158111501	779768241	/nfs/dbraw/zinc/76/82/41/779768241.db2.gz	ONUQVUBQIWAHHH-XHDPSFHLSA-N	1	3	318.381	-1.782	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158118632	779768545	/nfs/dbraw/zinc/76/85/45/779768545.db2.gz	CBINUVQNWGVDBE-YHAQOWFVSA-N	1	3	323.397	-2.224	20	0		DAADHO
O=C(c1[nH]nc2c1CNC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158118884	779768726	/nfs/dbraw/zinc/76/87/26/779768726.db2.gz	DCRNSFDFVVTUNF-OAHLLOKOSA-N	1	3	316.365	-1.435	20	0		DAADHO
N[C@H](Cc1c[nH]cn1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158111494	779768808	/nfs/dbraw/zinc/76/88/08/779768808.db2.gz	ONUQVUBQIWAHHH-ABAIWWIYSA-N	1	3	318.381	-1.782	20	0		DAADHO
N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158111494	779768811	/nfs/dbraw/zinc/76/88/11/779768811.db2.gz	ONUQVUBQIWAHHH-ABAIWWIYSA-N	1	3	318.381	-1.782	20	0		DAADHO
NC(C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)C(F)(F)F	ZINC001158121465	779770100	/nfs/dbraw/zinc/77/01/00/779770100.db2.gz	UQLSCOURGORMAE-CPCISQLKSA-N	1	3	306.288	-1.186	20	0		DAADHO
O=C(N1CCC2(CC1)COCC(=O)N2)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001158327296	779774139	/nfs/dbraw/zinc/77/41/39/779774139.db2.gz	YAJNCCGBHNXUDW-MLGOLLRUSA-N	1	3	322.409	-1.307	20	0		DAADHO
C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC[C@H]2[NH2+]C[C@H]21)C(N)=O	ZINC001158421075	779775950	/nfs/dbraw/zinc/77/59/50/779775950.db2.gz	CBYXRVFSCGPDKS-LNFKQOIKSA-N	1	3	311.386	-1.953	20	0		DAADHO
CNC(=O)CN1CCCC12CCN(C(=O)[C@@]1(N)CC[NH2+]C1)CC2	ZINC001158891180	779781670	/nfs/dbraw/zinc/78/16/70/779781670.db2.gz	VOJQSFPCLQAEBX-MRXNPFEDSA-N	1	3	323.441	-1.120	20	0		DAADHO
CNC(=O)CN1CCCC12CCN(C(=O)[C@@H](N)CC[NH3+])CC2	ZINC001158891193	779781725	/nfs/dbraw/zinc/78/17/25/779781725.db2.gz	WBPRDNVXQOQQJD-LBPRGKRZSA-N	1	3	311.430	-1.135	20	0		DAADHO
CN(C)[C@@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1CC1	ZINC001159932749	779798831	/nfs/dbraw/zinc/79/88/31/779798831.db2.gz	USEZGOOJXFVWPK-GFCCVEGCSA-N	1	3	320.459	-1.028	20	0		DAADHO
Cn1cc(N2C[C@@H]3CN(C(=O)[C@H](N)CCC[NH3+])C[C@@H]3C2=O)cn1	ZINC001160217285	779803417	/nfs/dbraw/zinc/80/34/17/779803417.db2.gz	MNKARRLYRDXOFG-WCFLWFBJSA-N	1	3	320.397	-1.093	20	0		DAADHO
Cn1cc(N2C[C@@H]3CN(C(=O)[C@@H](N)CCC[NH3+])C[C@@H]3C2=O)cn1	ZINC001160217280	779803636	/nfs/dbraw/zinc/80/36/36/779803636.db2.gz	MNKARRLYRDXOFG-DRZSPHRISA-N	1	3	320.397	-1.093	20	0		DAADHO
CS(=O)(=O)N1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1	ZINC001160432030	779806790	/nfs/dbraw/zinc/80/67/90/779806790.db2.gz	LKIUBXZEDJIJFS-VIFPVBQESA-N	1	3	310.445	-1.891	20	0		DAADHO
CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)N(C)C	ZINC001160427832	779806806	/nfs/dbraw/zinc/80/68/06/779806806.db2.gz	VEBPTEKCIURHET-NSHDSACASA-N	1	3	301.391	-1.137	20	0		DAADHO
CC(C)NC(=O)CN1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1	ZINC001160485681	779807836	/nfs/dbraw/zinc/80/78/36/779807836.db2.gz	ZATKSIAFCFGIKD-CYBMUJFWSA-N	1	3	323.441	-1.536	20	0		DAADHO
CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1	ZINC001160485701	779808220	/nfs/dbraw/zinc/80/82/20/779808220.db2.gz	ZATKSIAFCFGIKD-ZDUSSCGKSA-N	1	3	323.441	-1.536	20	0		DAADHO
N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC(CO)C1	ZINC001160531613	779810844	/nfs/dbraw/zinc/81/08/44/779810844.db2.gz	VXSYBOJAPGCIEX-STQMWFEESA-N	1	3	312.414	-1.116	20	0		DAADHO
N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]1COC2(CNC2)CN1	ZINC001160539425	779811436	/nfs/dbraw/zinc/81/14/36/779811436.db2.gz	SNDNUPLHMCGXCI-PWSUYJOCSA-N	1	3	318.381	-1.242	20	0		DAADHO
CN1CCN(C2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C2)CC1=O	ZINC001160638097	779813988	/nfs/dbraw/zinc/81/39/88/779813988.db2.gz	ZHCJWIWTTCVBHO-MLGOLLRUSA-N	1	3	321.425	-1.830	20	0		DAADHO
C[NH+](C)CCCC[C@H](N)C(=O)N1CC(N2CCNC(=O)C2)C1	ZINC001160637031	779814149	/nfs/dbraw/zinc/81/41/49/779814149.db2.gz	NPLDCDJCJOPBNO-ZDUSSCGKSA-N	1	3	311.430	-1.312	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1	ZINC001160655501	779814736	/nfs/dbraw/zinc/81/47/36/779814736.db2.gz	OKNRYEZZBOPAPE-UYXSQOIJSA-N	1	3	301.347	-3.386	20	0		DAADHO
O=C([C@H]1C[NH2+]CC12CNC2)N1CCc2[nH]c(=O)[nH]c(=O)c2C1	ZINC001160641081	779815228	/nfs/dbraw/zinc/81/52/28/779815228.db2.gz	WMZIZWVDVPDHTQ-SECBINFHSA-N	1	3	305.338	-1.419	20	0		DAADHO
CC[C@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)N(C)C	ZINC001160889735	779821419	/nfs/dbraw/zinc/82/14/19/779821419.db2.gz	QRFZNEKWZIJNNO-LLVKDONJSA-N	1	3	308.448	-1.028	20	0		DAADHO
COC(=O)c1cn2c(n1)CN(C(=O)[C@@H]1C[NH2+]CC13CNC3)CC2	ZINC001160902041	779823034	/nfs/dbraw/zinc/82/30/34/779823034.db2.gz	KLHMVSVRHOBTAG-JTQLQIEISA-N	1	3	319.365	-1.179	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1	ZINC001160973502	779823652	/nfs/dbraw/zinc/82/36/52/779823652.db2.gz	VSUIRBJYNGVPQW-FXQIFTODSA-N	1	3	321.328	-2.111	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[NH3+]	ZINC001161063397	779824718	/nfs/dbraw/zinc/82/47/18/779824718.db2.gz	MGZCJQKQJYXRRL-ZRUFSTJUSA-N	1	3	313.402	-1.578	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[NH3+]	ZINC001161063395	779824786	/nfs/dbraw/zinc/82/47/86/779824786.db2.gz	MGZCJQKQJYXRRL-XWLWVQCSSA-N	1	3	313.402	-1.578	20	0		DAADHO
CCOC(=O)[C@@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001161093105	779826540	/nfs/dbraw/zinc/82/65/40/779826540.db2.gz	IEMBKNMBZWJSCF-TYNCELHUSA-N	1	3	311.382	-1.024	20	0		DAADHO
CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H](N)CC[S@](C)=O	ZINC001161157809	779829014	/nfs/dbraw/zinc/82/90/14/779829014.db2.gz	KJKUTWRBYWSFKS-FVINQWEUSA-N	1	3	307.416	-1.177	20	0		DAADHO
N[C@@H](CSCC[NH3+])C(=O)N1Cc2ccnn2CC[C@H]1CO	ZINC001161170447	779830235	/nfs/dbraw/zinc/83/02/35/779830235.db2.gz	FQVUTABHSHVVIT-RYUDHWBXSA-N	1	3	313.427	-1.005	20	0		DAADHO
O=C([C@@H]1C[NH2+]CC12CNC2)N1CCN(c2ncncn2)CC1	ZINC001161247901	779832921	/nfs/dbraw/zinc/83/29/21/779832921.db2.gz	MUGIDHQALOWROD-NSHDSACASA-N	1	3	303.370	-1.671	20	0		DAADHO
COC(=O)[C@@H]1CN(C(=O)[C@H](N)CCC[NH3+])CCN1C(C)=O	ZINC001161295575	779834829	/nfs/dbraw/zinc/83/48/29/779834829.db2.gz	MBQDYFUMSQQRIQ-MNOVXSKESA-N	1	3	300.359	-1.715	20	0		DAADHO
[NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C34CNC4)C[C@@H]12	ZINC001161411826	779836046	/nfs/dbraw/zinc/83/60/46/779836046.db2.gz	BEOXOGCKCAWNSS-WISYIIOYSA-N	1	3	313.423	-1.041	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@](C)(C[NH3+])C1	ZINC001161489499	779839688	/nfs/dbraw/zinc/83/96/88/779839688.db2.gz	UCDXMUUVNDPDJV-PKFCDNJMSA-N	1	3	313.402	-1.719	20	0		DAADHO
C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC(N(C)[C@H]2CCOC2)C1	ZINC001161499926	779840421	/nfs/dbraw/zinc/84/04/21/779840421.db2.gz	NDNQLGNZOIXFNS-NHCYSSNCSA-N	1	3	314.386	-2.258	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1	ZINC001161510996	779842649	/nfs/dbraw/zinc/84/26/49/779842649.db2.gz	UOBIRZJTPOGJOA-XHNCKOQMSA-N	1	3	313.358	-3.120	20	0		DAADHO
CN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001207683987	779923149	/nfs/dbraw/zinc/92/31/49/779923149.db2.gz	JCDPMRNJWCNATF-MNOVXSKESA-N	1	3	311.386	-1.144	20	0		DAADHO
CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H](C)CN1CCOCC1	ZINC001213863784	779985457	/nfs/dbraw/zinc/98/54/57/779985457.db2.gz	SGDVGXPUUDHASO-MGPQQGTHSA-N	1	3	315.414	-1.238	20	0		DAADHO
CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H](C)CN1CCOCC1	ZINC001213863784	779985461	/nfs/dbraw/zinc/98/54/61/779985461.db2.gz	SGDVGXPUUDHASO-MGPQQGTHSA-N	1	3	315.414	-1.238	20	0		DAADHO
C[C@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NC(N)=O	ZINC001215458992	780008927	/nfs/dbraw/zinc/00/89/27/780008927.db2.gz	SMPGOERISPPWDY-OUAUKWLOSA-N	1	3	313.402	-1.042	20	0		DAADHO
CNC(=O)CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C	ZINC001216402135	780012417	/nfs/dbraw/zinc/01/24/17/780012417.db2.gz	UNOBLBVFHNXKRB-VXGBXAGGSA-N	1	3	300.403	-1.253	20	0		DAADHO
Cn1[nH]cnc1=NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+]	ZINC001218501814	780030940	/nfs/dbraw/zinc/03/09/40/780030940.db2.gz	TVLSXIZRWZTNMP-QWRGUYRKSA-N	1	3	323.401	-1.377	20	0		DAADHO
O=C(NCCC1(O)C[NH2+]C1)[C@@H]1CCS(=O)(=O)C12CNC2	ZINC001219696278	780135936	/nfs/dbraw/zinc/13/59/36/780135936.db2.gz	FRMDEBZBWCFRSR-VIFPVBQESA-N	1	3	303.384	-2.396	20	0		DAADHO
CS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)nc1	ZINC001219716312	780137950	/nfs/dbraw/zinc/13/79/50/780137950.db2.gz	JWSKMEZBJGUPET-GFCCVEGCSA-N	1	3	324.406	-1.090	20	0		DAADHO
C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1	ZINC001219736772	780138798	/nfs/dbraw/zinc/13/87/98/780138798.db2.gz	HBBWVEJMWJBIFQ-TUAOUCFPSA-N	1	3	310.398	-1.181	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@]1(F)CCC[NH2+]C1	ZINC001219770870	780146453	/nfs/dbraw/zinc/14/64/53/780146453.db2.gz	GAEXKOKSGZRKLC-RVBZMBCESA-N	1	3	317.365	-2.098	20	0		DAADHO
C[S@](=O)CC[C@H](N)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1	ZINC001219766551	780146954	/nfs/dbraw/zinc/14/69/54/780146954.db2.gz	WAMWREGSGWSGSS-SWDFKHAISA-N	1	3	302.444	-1.508	20	0		DAADHO
N[C@H](CCC[NH3+])C(=O)NCc1cc(=O)n2c(n1)CNCCC2	ZINC001219802807	780147849	/nfs/dbraw/zinc/14/78/49/780147849.db2.gz	CSGMGKGTMPIAHB-LLVKDONJSA-N	1	3	308.386	-1.581	20	0		DAADHO
O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@H]1COC2(CNC2)CN1	ZINC001219799993	780148514	/nfs/dbraw/zinc/14/85/14/780148514.db2.gz	FXKKEQJELPCKFI-NWDGAFQWSA-N	1	3	310.398	-1.798	20	0		DAADHO
[NH3+][C@@H]1CN[C@H](C(=O)NCc2cc(=O)n3c(n2)CNCCC3)C1	ZINC001219807241	780149336	/nfs/dbraw/zinc/14/93/36/780149336.db2.gz	AVDSSNWLHFTBES-ONGXEEELSA-N	1	3	306.370	-1.958	20	0		DAADHO
N[C@@H]1C[NH2+][C@H](C(=O)NCc2cc(=O)n3c(n2)CNCCC3)C1	ZINC001219807241	780149351	/nfs/dbraw/zinc/14/93/51/780149351.db2.gz	AVDSSNWLHFTBES-ONGXEEELSA-N	1	3	306.370	-1.958	20	0		DAADHO
CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@]12C[NH2+]C[C@H]1COC2	ZINC001219815372	780152107	/nfs/dbraw/zinc/15/21/07/780152107.db2.gz	XYRJNCGCVXKXEB-UHXUCMFUSA-N	1	3	312.414	-1.172	20	0		DAADHO
O=C(C[C@H]1CNCCO1)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2	ZINC001219838025	780154758	/nfs/dbraw/zinc/15/47/58/780154758.db2.gz	NUJJMXKLFBOSTJ-IPYPFGDCSA-N	1	3	313.398	-1.124	20	0		DAADHO
N[C@H]1CCCCN(CC(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)C1=O	ZINC001219847718	780156325	/nfs/dbraw/zinc/15/63/25/780156325.db2.gz	PZLOQBLJXVINLR-ZJQBRPOHSA-N	1	3	310.398	-1.038	20	0		DAADHO
O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@H]1CNC(=O)C12CC[NH2+]CC2	ZINC001219848004	780156401	/nfs/dbraw/zinc/15/64/01/780156401.db2.gz	VCAUAJBKALNIBD-MROQNXINSA-N	1	3	322.409	-1.262	20	0		DAADHO
C[S@@](=O)CC[C@H](N)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21	ZINC001219852469	780157652	/nfs/dbraw/zinc/15/76/52/780157652.db2.gz	SMIHLZSFNJMYSL-YTVCGQLNSA-N	1	3	303.428	-1.177	20	0		DAADHO
Cn1cc2c(n1)[C@@H](CNC(=O)[C@@H]1C[NH2+]CC13CNC3)OCC2	ZINC001219884694	780158755	/nfs/dbraw/zinc/15/87/55/780158755.db2.gz	AMPHPKJWIQTLQK-NWDGAFQWSA-N	1	3	305.382	-1.041	20	0		DAADHO
Cn1cc2c(n1)[C@H](CNC(=O)[C@@H]1C[NH2+]CC13CNC3)OCC2	ZINC001219884695	780158859	/nfs/dbraw/zinc/15/88/59/780158859.db2.gz	AMPHPKJWIQTLQK-RYUDHWBXSA-N	1	3	305.382	-1.041	20	0		DAADHO
CS(=O)(=O)N(C(=O)[C@H]1CNCCN1)c1ccc(C[NH3+])cc1	ZINC001219938734	780164280	/nfs/dbraw/zinc/16/42/80/780164280.db2.gz	BQZUHSXSSOYZMI-GFCCVEGCSA-N	1	3	312.395	-1.001	20	0		DAADHO
NOCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+]	ZINC001219969856	780167216	/nfs/dbraw/zinc/16/72/16/780167216.db2.gz	ONRBXBRXCMNWHX-QWRGUYRKSA-N	1	3	301.391	-1.560	20	0		DAADHO
CCn1c(N)c(NC(=O)[C@@H](N)CCC[NH3+])c(=O)n(CC)c1=O	ZINC001219971795	780168177	/nfs/dbraw/zinc/16/81/77/780168177.db2.gz	BLEKNGQUDADJOP-QMMMGPOBSA-N	1	3	312.374	-1.363	20	0		DAADHO
COC(=O)C1(NC(=O)[C@H](N)CCCNC(N)=O)CC[NH2+]CC1	ZINC001219999071	780168811	/nfs/dbraw/zinc/16/88/11/780168811.db2.gz	JNTAKRQAORHVGU-SECBINFHSA-N	1	3	315.374	-1.826	20	0		DAADHO
Cn1c(=O)[nH]c(=O)c(N=O)c1NC(=O)[C@H]1C[NH2+]CC12CNC2	ZINC001219984611	780169419	/nfs/dbraw/zinc/16/94/19/780169419.db2.gz	QMYDUPRPJRZNIT-ZCFIWIBFSA-N	1	3	308.298	-1.369	20	0		DAADHO
COC(=O)C1(NC(=O)[C@H](C)NC(=O)[C@H](C)N)CC[NH2+]CC1	ZINC001220001204	780169520	/nfs/dbraw/zinc/16/95/20/780169520.db2.gz	LIWOYQHBBDDWOH-IUCAKERBSA-N	1	3	300.359	-1.750	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(C)(C)C[NH+](C)C	ZINC001220254412	780197256	/nfs/dbraw/zinc/19/72/56/780197256.db2.gz	PNSOCTYZOGOZGS-UWVGGRQHSA-N	1	3	315.418	-1.602	20	0		DAADHO
NC(=O)NCCC[C@H](N)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2	ZINC001220315202	780201350	/nfs/dbraw/zinc/20/13/50/780201350.db2.gz	AOAUSPIQEVMWAR-MJVIPROJSA-N	1	3	313.402	-1.211	20	0		DAADHO
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1ncn2c1CNCCC2	ZINC001220312654	780201394	/nfs/dbraw/zinc/20/13/94/780201394.db2.gz	AIZSXXVMTKBVLW-NSHDSACASA-N	1	3	320.397	-1.139	20	0		DAADHO
O=C(NCc1ncn2c1CNCCC2)[C@H]1NC(=O)CC12C[NH2+]C2	ZINC001220310757	780201825	/nfs/dbraw/zinc/20/18/25/780201825.db2.gz	FVYUTQYAIFGJBZ-CYBMUJFWSA-N	1	3	318.381	-1.529	20	0		DAADHO
O=C(NCc1ncn2c1CNCCC2)[C@@H]1NC(=O)CC12C[NH2+]C2	ZINC001220310758	780202128	/nfs/dbraw/zinc/20/21/28/780202128.db2.gz	FVYUTQYAIFGJBZ-ZDUSSCGKSA-N	1	3	318.381	-1.529	20	0		DAADHO
O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@H]1COC2(CNC2)CN1	ZINC001220317225	780203287	/nfs/dbraw/zinc/20/32/87/780203287.db2.gz	WZMXNEFJCMEJRR-SCRDCRAPSA-N	1	3	310.398	-1.656	20	0		DAADHO
CNOCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+]	ZINC001220403438	780210131	/nfs/dbraw/zinc/21/01/31/780210131.db2.gz	QZKHYYYPVVJOGQ-RYUDHWBXSA-N	1	3	315.418	-1.299	20	0		DAADHO
N[C@H](CCC[NH3+])C(=O)NCc1ccc(N2CCOCC2)nn1	ZINC001220390361	780210260	/nfs/dbraw/zinc/21/02/60/780210260.db2.gz	ZYUBNHMQLZCULF-GFCCVEGCSA-N	1	3	308.386	-1.004	20	0		DAADHO
N[C@@H](CCC[NH3+])C(=O)NCc1ccc(N2CCOCC2)nn1	ZINC001220390362	780210676	/nfs/dbraw/zinc/21/06/76/780210676.db2.gz	ZYUBNHMQLZCULF-LBPRGKRZSA-N	1	3	308.386	-1.004	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]([NH3+])c1ccccc1	ZINC001220504247	780219686	/nfs/dbraw/zinc/21/96/86/780219686.db2.gz	WIHOCWYGLVMBOM-DLOVCJGASA-N	1	3	321.381	-1.490	20	0		DAADHO
CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCCN(C)CC[NH3+]	ZINC001220517487	780221096	/nfs/dbraw/zinc/22/10/96/780221096.db2.gz	NQPUYNGJGGDKHJ-RYUDHWBXSA-N	1	3	301.435	-1.129	20	0		DAADHO
CC(C)C[C@H](N)C(=O)NCC(=O)NCCOCCOCC[NH3+]	ZINC001220519549	780222927	/nfs/dbraw/zinc/22/29/27/780222927.db2.gz	RVZCPXVXWBLPEV-LBPRGKRZSA-N	1	3	318.418	-1.416	20	0		DAADHO
COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@H]1C[NH2+]CC12CNC2	ZINC001220770492	780247463	/nfs/dbraw/zinc/24/74/63/780247463.db2.gz	XQGIHURZQHMSEE-NEPJUHHUSA-N	1	3	321.381	-1.571	20	0		DAADHO
O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@@H]1COC2(CNC2)CN1	ZINC001220800019	780249155	/nfs/dbraw/zinc/24/91/55/780249155.db2.gz	KIVHLRRHSXRTJY-AEJSXWLSSA-N	1	3	322.331	-1.027	20	0		DAADHO
CCOC(=O)C1=C(NC(=O)[C@@H](N)CCCNC(N)=O)C[NH2+]C1	ZINC001220827673	780250019	/nfs/dbraw/zinc/25/00/19/780250019.db2.gz	XINOGLBUFYUYMU-VIFPVBQESA-N	1	3	313.358	-1.701	20	0		DAADHO
CCOC(=O)C1=C(NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)C[NH2+]C1	ZINC001220827910	780251520	/nfs/dbraw/zinc/25/15/20/780251520.db2.gz	CKZXRVPKYWQIRD-CABZTGNLSA-N	1	3	324.381	-1.139	20	0		DAADHO
N[C@H](CN1CCC([NH3+])CC1)C(=O)NCCN1CCNCC1=O	ZINC001220875087	780253998	/nfs/dbraw/zinc/25/39/98/780253998.db2.gz	SCHBMBQQJOUUBL-GFCCVEGCSA-N	1	3	312.418	-2.715	20	0		DAADHO
C[S@@](=O)CC[C@H](N)C(=O)NCCN(CC[NH3+])N(O)N=O	ZINC001220903499	780257932	/nfs/dbraw/zinc/25/79/32/780257932.db2.gz	SXIWBRYUGGTPDE-FFVOIRBGSA-N	1	3	310.380	-2.253	20	0		DAADHO
[NH3+][C@H]1CC[C@H](N(C(=O)[C@H]2COC3(CNC3)CN2)C2COC2)CC1	ZINC001220930915	780260996	/nfs/dbraw/zinc/26/09/96/780260996.db2.gz	UXLOGZIOUBVGFT-YRGRVCCFSA-N	1	3	324.425	-1.186	20	0		DAADHO
CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC1	ZINC001221007191	780268149	/nfs/dbraw/zinc/26/81/49/780268149.db2.gz	ZFMZENSVSPQHLC-LPWJVIDDSA-N	1	3	311.430	-1.219	20	0		DAADHO
CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)CC1	ZINC001221007191	780268156	/nfs/dbraw/zinc/26/81/56/780268156.db2.gz	ZFMZENSVSPQHLC-LPWJVIDDSA-N	1	3	311.430	-1.219	20	0		DAADHO
COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N	ZINC001221188123	780281657	/nfs/dbraw/zinc/28/16/57/780281657.db2.gz	OQXDQRHGRKJWED-DCAQKATOSA-N	1	3	314.386	-1.279	20	0		DAADHO
O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@@H]1CCS(=O)(=O)C12CNC2	ZINC001221367225	780291984	/nfs/dbraw/zinc/29/19/84/780291984.db2.gz	NVOQVPFFOUOXFB-IVZWLZJFSA-N	1	3	305.375	-1.421	20	0		DAADHO
COC(=O)C1([N-]S(=O)(=O)C2CC[NH2+]CC2)CC[NH2+]CC1	ZINC001238395114	780436373	/nfs/dbraw/zinc/43/63/73/780436373.db2.gz	UNZZVBBSPCZHMC-UHFFFAOYSA-N	1	3	305.400	-1.047	20	0		DAADHO
O=C1C[C@@H]2[NH2+]CC[C@@]2([N-]S(=O)(=O)CC2CC[NH2+]CC2)N1	ZINC001238334578	780436438	/nfs/dbraw/zinc/43/64/38/780436438.db2.gz	YYHQLIAVISBRPP-JQWIXIFHSA-N	1	3	302.400	-1.517	20	0		DAADHO
O=S(=O)(NCc1nnn2c1CNCCC2)[C@@H]1CC[NH2+]C1	ZINC001238247800	780436625	/nfs/dbraw/zinc/43/66/25/780436625.db2.gz	OBBKHQQGKDXYTM-SECBINFHSA-N	1	3	300.388	-1.447	20	0		DAADHO
COC(=O)[C@H]([N-]S(=O)(=O)C1CC[NH2+]CC1)[C@H]1CC[NH2+]C1	ZINC001238898257	780438916	/nfs/dbraw/zinc/43/89/16/780438916.db2.gz	PQTCJNQJGFDUHM-GXSJLCMTSA-N	1	3	305.400	-1.191	20	0		DAADHO
NCCS(=O)(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1	ZINC001239048090	780440730	/nfs/dbraw/zinc/44/07/30/780440730.db2.gz	XHKSHOVHSVBKOF-UHFFFAOYSA-N	1	3	300.388	-1.539	20	0		DAADHO
O=S(=O)([C@@H]1CC[NH2+]C1)N1CCOC[C@]2(CNCCO2)C1	ZINC001238999241	780441059	/nfs/dbraw/zinc/44/10/59/780441059.db2.gz	HZOKQWFOGFEHHM-NEPJUHHUSA-N	1	3	305.400	-1.631	20	0		DAADHO
COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(S(=O)(=O)CCN)C2	ZINC001239064325	780442696	/nfs/dbraw/zinc/44/26/96/780442696.db2.gz	JBQKADTVNNMBBA-XZUYRWCXSA-N	1	3	317.411	-1.395	20	0		DAADHO
CCOC(=O)[C@@H]1CN(S(=O)(=O)CCN)CCC12C[NH2+]C2	ZINC001239182645	780443552	/nfs/dbraw/zinc/44/35/52/780443552.db2.gz	ZJVNKLBUYBKNNC-JTQLQIEISA-N	1	3	305.400	-1.251	20	0		DAADHO
O=C1NCC[C@]12C[N@@H+](C1C[C@@H]3COC[C@H](C1)N3)CC21CNC1	ZINC001246630630	780455644	/nfs/dbraw/zinc/45/56/44/780455644.db2.gz	UJRUKKUAHUBYPP-GYVWXKFASA-N	1	3	306.410	-1.083	20	0		DAADHO
O=C1NCC[C@]12C[N@H+](C1C[C@@H]3COC[C@H](C1)N3)CC21CNC1	ZINC001246630630	780455647	/nfs/dbraw/zinc/45/56/47/780455647.db2.gz	UJRUKKUAHUBYPP-GYVWXKFASA-N	1	3	306.410	-1.083	20	0		DAADHO
O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1CCO[C@H]1CC[NH2+]C1)O3	ZINC001247007806	780458256	/nfs/dbraw/zinc/45/82/56/780458256.db2.gz	GDSDNCFOGCWIFY-RNJOBUHISA-N	1	3	317.411	-1.490	20	0		DAADHO
CN(C[C@@H](O)CN[C@H]1CCC(=O)NC1=O)C(=O)CC[NH+](C)C	ZINC001278804973	780490582	/nfs/dbraw/zinc/49/05/82/780490582.db2.gz	VKXWRXRUMXHINR-QWRGUYRKSA-N	1	3	314.386	-1.848	20	0		DAADHO
CN(C[C@H](O)CN[C@@H]1CCC(=O)NC1=O)C(=O)CC[NH+](C)C	ZINC001278804969	780491113	/nfs/dbraw/zinc/49/11/13/780491113.db2.gz	VKXWRXRUMXHINR-GHMZBOCLSA-N	1	3	314.386	-1.848	20	0		DAADHO
[NH3+]C1(CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1	ZINC001262547666	780573944	/nfs/dbraw/zinc/57/39/44/780573944.db2.gz	AMCZQIAYRBBZCJ-GFCCVEGCSA-N	1	3	310.398	-1.037	20	0		DAADHO
O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCNCCNCC1	ZINC001262544793	780574195	/nfs/dbraw/zinc/57/41/95/780574195.db2.gz	KPXBHLWEUVUVIB-ZIAGYGMSSA-N	1	3	323.441	-1.249	20	0		DAADHO
O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCNCCNCC1	ZINC001262544793	780574203	/nfs/dbraw/zinc/57/42/03/780574203.db2.gz	KPXBHLWEUVUVIB-ZIAGYGMSSA-N	1	3	323.441	-1.249	20	0		DAADHO
O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCNCCNCC1	ZINC001262544792	780574672	/nfs/dbraw/zinc/57/46/72/780574672.db2.gz	KPXBHLWEUVUVIB-UONOGXRCSA-N	1	3	323.441	-1.249	20	0		DAADHO
O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCNCCNCC1	ZINC001262544792	780574675	/nfs/dbraw/zinc/57/46/75/780574675.db2.gz	KPXBHLWEUVUVIB-UONOGXRCSA-N	1	3	323.441	-1.249	20	0		DAADHO
O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCNCCNCC1	ZINC001262544790	780574706	/nfs/dbraw/zinc/57/47/06/780574706.db2.gz	KPXBHLWEUVUVIB-KBPBESRZSA-N	1	3	323.441	-1.249	20	0		DAADHO
O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCNCCNCC1	ZINC001262544790	780574708	/nfs/dbraw/zinc/57/47/08/780574708.db2.gz	KPXBHLWEUVUVIB-KBPBESRZSA-N	1	3	323.441	-1.249	20	0		DAADHO
CCNC(=O)CNCCN(CCO)C(=O)C1CC[NH+](C)CC1	ZINC001279821341	780628625	/nfs/dbraw/zinc/62/86/25/780628625.db2.gz	WWEAIAVJDVEDAB-UHFFFAOYSA-N	1	3	314.430	-1.125	20	0		DAADHO
CN(CCOCCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001284877635	780843352	/nfs/dbraw/zinc/84/33/52/780843352.db2.gz	HFJKDYNSQUWVOP-CHWSQXEVSA-N	1	3	312.414	-1.109	20	0		DAADHO
CN(CCOCCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001284877635	780843362	/nfs/dbraw/zinc/84/33/62/780843362.db2.gz	HFJKDYNSQUWVOP-CHWSQXEVSA-N	1	3	312.414	-1.109	20	0		DAADHO
[NH3+]C[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)CCO1	ZINC001160644196	781378786	/nfs/dbraw/zinc/37/87/86/781378786.db2.gz	WPEWUFBSJVXMOL-VHSXEESVSA-N	1	3	303.384	-2.051	20	0		DAADHO
CC[N@H+](C)CCC(=O)NCCNCCN(C)S(C)(=O)=O	ZINC001146718902	781420561	/nfs/dbraw/zinc/42/05/61/781420561.db2.gz	KOOJTDFJFPWMBT-UHFFFAOYSA-N	1	3	308.448	-1.075	20	0		DAADHO
CC[N@@H+](C)CCC(=O)NCCNCCN(C)S(C)(=O)=O	ZINC001146718902	781420564	/nfs/dbraw/zinc/42/05/64/781420564.db2.gz	KOOJTDFJFPWMBT-UHFFFAOYSA-N	1	3	308.448	-1.075	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)COCC[NH+](C)C	ZINC001147842470	781458370	/nfs/dbraw/zinc/45/83/70/781458370.db2.gz	ZEPYCRIKOWKYEC-UHFFFAOYSA-N	1	3	317.390	-1.884	20	0		DAADHO
CNC(=O)NC(=O)CNCCNC(=O)COCC[NH+](C)C	ZINC001147848398	781458687	/nfs/dbraw/zinc/45/86/87/781458687.db2.gz	NLUVFGKDPMFQPI-UHFFFAOYSA-N	1	3	303.363	-2.274	20	0		DAADHO
CCS(=O)(=O)NCCNCCNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001147892059	781458748	/nfs/dbraw/zinc/45/87/48/781458748.db2.gz	HKTCXEQCMSGBHW-GFCCVEGCSA-N	1	3	320.459	-1.027	20	0		DAADHO
CCS(=O)(=O)NCCNCCNC(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001147892059	781458750	/nfs/dbraw/zinc/45/87/50/781458750.db2.gz	HKTCXEQCMSGBHW-GFCCVEGCSA-N	1	3	320.459	-1.027	20	0		DAADHO
C[C@@H](NCCNC(=O)COCC[NH+](C)C)C(=O)NC1CC1	ZINC001147891932	781458877	/nfs/dbraw/zinc/45/88/77/781458877.db2.gz	FJJCRZQNOJDQGQ-LLVKDONJSA-N	1	3	300.403	-1.063	20	0		DAADHO
C[NH+](C)CCOCC(=O)NCCNCC(=O)N1CCCC1	ZINC001147841253	781459501	/nfs/dbraw/zinc/45/95/01/781459501.db2.gz	BFDWFVATJGRHAX-UHFFFAOYSA-N	1	3	300.403	-1.107	20	0		DAADHO
C[N@@H+]1CC[C@@H](CC(=O)NCCNCC(=O)N2CCOCC2)C1	ZINC001147877209	781460359	/nfs/dbraw/zinc/46/03/59/781460359.db2.gz	GSDAXPOGUXXQRI-ZDUSSCGKSA-N	1	3	312.414	-1.107	20	0		DAADHO
C[N@H+]1CC[C@@H](CC(=O)NCCNCC(=O)N2CCOCC2)C1	ZINC001147877209	781460362	/nfs/dbraw/zinc/46/03/62/781460362.db2.gz	GSDAXPOGUXXQRI-ZDUSSCGKSA-N	1	3	312.414	-1.107	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001147899983	781461783	/nfs/dbraw/zinc/46/17/83/781461783.db2.gz	FTMFXFRYTCRGAL-QWRGUYRKSA-N	1	3	313.402	-1.122	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001147899983	781461789	/nfs/dbraw/zinc/46/17/89/781461789.db2.gz	FTMFXFRYTCRGAL-QWRGUYRKSA-N	1	3	313.402	-1.122	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C12CC[NH+](CC1)C2	ZINC001148001106	781461825	/nfs/dbraw/zinc/46/18/25/781461825.db2.gz	ZXGCZZXATFMREW-SNVBAGLBSA-N	1	3	311.386	-1.368	20	0		DAADHO
CCC[N@H+](C)CCC(=O)NCCNCC(=O)NC(=O)NC	ZINC001148571129	781476192	/nfs/dbraw/zinc/47/61/92/781476192.db2.gz	XEAVCSZXHRJNPO-UHFFFAOYSA-N	1	3	301.391	-1.120	20	0		DAADHO
CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NC(=O)NC	ZINC001148571129	781476195	/nfs/dbraw/zinc/47/61/95/781476195.db2.gz	XEAVCSZXHRJNPO-UHFFFAOYSA-N	1	3	301.391	-1.120	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1	ZINC001181652098	781690463	/nfs/dbraw/zinc/69/04/63/781690463.db2.gz	ISYSTOZHXCAYHM-MNOVXSKESA-N	1	3	311.386	-1.273	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NC[C@@H]2CCOC2)C1	ZINC001151066574	781694495	/nfs/dbraw/zinc/69/44/95/781694495.db2.gz	WMMINEKGYLWNDN-STQMWFEESA-N	1	3	312.414	-1.203	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NC[C@@H]2CCOC2)C1	ZINC001151066574	781694500	/nfs/dbraw/zinc/69/45/00/781694500.db2.gz	WMMINEKGYLWNDN-STQMWFEESA-N	1	3	312.414	-1.203	20	0		DAADHO
C[C@H]1CN(C(=O)CNCCNC(=O)[C@H]2CC[N@H+](C)C2)CCO1	ZINC001151064972	781694678	/nfs/dbraw/zinc/69/46/78/781694678.db2.gz	GJVPUUIEOZFCPS-STQMWFEESA-N	1	3	312.414	-1.109	20	0		DAADHO
C[C@H]1CN(C(=O)CNCCNC(=O)[C@H]2CC[N@@H+](C)C2)CCO1	ZINC001151064972	781694679	/nfs/dbraw/zinc/69/46/79/781694679.db2.gz	GJVPUUIEOZFCPS-STQMWFEESA-N	1	3	312.414	-1.109	20	0		DAADHO
NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1	ZINC001182623220	781710807	/nfs/dbraw/zinc/71/08/07/781710807.db2.gz	HGZSJCNTIVXZHK-NEPJUHHUSA-N	1	3	323.397	-1.286	20	0		DAADHO
NC(=[NH2+])N(CCCC[NH3+])C(=O)Cn1cc(F)c(=O)[n-]c1=O	ZINC001183663176	781730471	/nfs/dbraw/zinc/73/04/71/781730471.db2.gz	RXBKGSQCZNERPK-UHFFFAOYSA-N	1	3	300.294	-1.451	20	0		DAADHO
C[NH+]1CCC(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)CC1	ZINC001185384471	781760429	/nfs/dbraw/zinc/76/04/29/781760429.db2.gz	DYBIYRYDVWSDCY-LLVKDONJSA-N	1	3	311.386	-1.286	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1	ZINC001185401910	781760819	/nfs/dbraw/zinc/76/08/19/781760819.db2.gz	YSRCQTCBJQAWLY-GHMZBOCLSA-N	1	3	313.402	-1.027	20	0		DAADHO
C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1	ZINC001185651100	781761904	/nfs/dbraw/zinc/76/19/04/781761904.db2.gz	RTZOHWXWWWZRPZ-WDEREUQCSA-N	1	3	311.386	-1.144	20	0		DAADHO
C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1	ZINC001185651100	781761912	/nfs/dbraw/zinc/76/19/12/781761912.db2.gz	RTZOHWXWWWZRPZ-WDEREUQCSA-N	1	3	311.386	-1.144	20	0		DAADHO
C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)C1	ZINC001185659936	781764523	/nfs/dbraw/zinc/76/45/23/781764523.db2.gz	UDVWYKSSTOVOCJ-WDEREUQCSA-N	1	3	311.386	-1.286	20	0		DAADHO
C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)C1	ZINC001185659936	781764529	/nfs/dbraw/zinc/76/45/29/781764529.db2.gz	UDVWYKSSTOVOCJ-WDEREUQCSA-N	1	3	311.386	-1.286	20	0		DAADHO
CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(=O)NC)C1	ZINC001186825060	781791592	/nfs/dbraw/zinc/79/15/92/781791592.db2.gz	XKYBYNYZIFBSFS-LLVKDONJSA-N	1	3	313.402	-1.026	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(=O)NC)C1	ZINC001186825060	781791598	/nfs/dbraw/zinc/79/15/98/781791598.db2.gz	XKYBYNYZIFBSFS-LLVKDONJSA-N	1	3	313.402	-1.026	20	0		DAADHO
C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)NC(N)=O	ZINC001187843145	781808542	/nfs/dbraw/zinc/80/85/42/781808542.db2.gz	VHRTXUAECGXEFG-WDEREUQCSA-N	1	3	311.386	-1.144	20	0		DAADHO
NC(=O)CNCC1(O)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1	ZINC001377347711	921806600	/nfs/dbraw/zinc/80/66/00/921806600.db2.gz	VYDAVLYCIDNWTH-ZDUSSCGKSA-N	1	3	324.425	-1.243	20	0		DAADHO
C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H]1CCC(=O)NC1=O	ZINC001317281766	916281423	/nfs/dbraw/zinc/28/14/23/916281423.db2.gz	FMGWTHHDIZYDJZ-QWRGUYRKSA-N	1	3	308.382	-1.018	20	0		DAADHO
CN(CCNCC(=O)N1CCOCC1)C(=O)CC[NH+](C)C	ZINC001317623316	916340629	/nfs/dbraw/zinc/34/06/29/916340629.db2.gz	KJIHBCQXENRLFX-UHFFFAOYSA-N	1	3	300.403	-1.155	20	0		DAADHO
CS(=O)(=O)CCNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001320297154	916500785	/nfs/dbraw/zinc/50/07/85/916500785.db2.gz	YPHUBTKYEMUPPK-LLVKDONJSA-N	1	3	319.427	-1.807	20	0		DAADHO
CCN(CCNCCNS(C)(=O)=O)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001320920685	916533105	/nfs/dbraw/zinc/53/31/05/916533105.db2.gz	HYWQPIWYPSGNKY-GFCCVEGCSA-N	1	3	320.459	-1.075	20	0		DAADHO
CCN(CCNCCNS(C)(=O)=O)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001320920685	916533119	/nfs/dbraw/zinc/53/31/19/916533119.db2.gz	HYWQPIWYPSGNKY-GFCCVEGCSA-N	1	3	320.459	-1.075	20	0		DAADHO
CCN(CCNCCNS(C)(=O)=O)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001320920715	916534363	/nfs/dbraw/zinc/53/43/63/916534363.db2.gz	HYWQPIWYPSGNKY-LBPRGKRZSA-N	1	3	320.459	-1.075	20	0		DAADHO
CCN(CCNCCNS(C)(=O)=O)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001320920715	916534372	/nfs/dbraw/zinc/53/43/72/916534372.db2.gz	HYWQPIWYPSGNKY-LBPRGKRZSA-N	1	3	320.459	-1.075	20	0		DAADHO
C[C@H]1CC[N@H+](CC(=O)NC/C=C/CNCC(=O)NC(N)=O)C1	ZINC001321249148	916559600	/nfs/dbraw/zinc/55/96/00/916559600.db2.gz	IZCCMVPMTZSFAP-VUDBWIFFSA-N	1	3	311.386	-1.215	20	0		DAADHO
C[C@H]1CC[N@@H+](CC(=O)NC/C=C/CNCC(=O)NC(N)=O)C1	ZINC001321249148	916559619	/nfs/dbraw/zinc/55/96/19/916559619.db2.gz	IZCCMVPMTZSFAP-VUDBWIFFSA-N	1	3	311.386	-1.215	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C	ZINC001322442080	916636128	/nfs/dbraw/zinc/63/61/28/916636128.db2.gz	IKSVGMKYEONHAS-LLVKDONJSA-N	1	3	313.402	-1.026	20	0		DAADHO
CCNC(=O)CNCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001326146371	916901603	/nfs/dbraw/zinc/90/16/03/916901603.db2.gz	KSFFULHYJRKJSO-GFCCVEGCSA-N	1	3	300.403	-1.515	20	0		DAADHO
CCNC(=O)CNCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001326146371	916901612	/nfs/dbraw/zinc/90/16/12/916901612.db2.gz	KSFFULHYJRKJSO-GFCCVEGCSA-N	1	3	300.403	-1.515	20	0		DAADHO
C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCCN1CCN(C)CC1	ZINC001329163364	917148564	/nfs/dbraw/zinc/14/85/64/917148564.db2.gz	SAAUQKQIJGYQCU-CYBMUJFWSA-N	1	3	313.446	-1.112	20	0		DAADHO
[NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCCN2CC[NH2+]CC2)n1	ZINC001329824025	917202629	/nfs/dbraw/zinc/20/26/29/917202629.db2.gz	SRDPJJXXIYPDCB-UHFFFAOYSA-N	1	3	323.401	-1.265	20	0		DAADHO
C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCCN1CCN(C)CC1	ZINC001330527310	917253731	/nfs/dbraw/zinc/25/37/31/917253731.db2.gz	YHCFMKRYIWBKAG-ZDUSSCGKSA-N	1	3	313.446	-1.146	20	0		DAADHO
C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1	ZINC001333180226	917427674	/nfs/dbraw/zinc/42/76/74/917427674.db2.gz	ZUMNLYSTUHXQBQ-STQMWFEESA-N	1	3	313.446	-1.160	20	0		DAADHO
CNC(=O)C[NH2+]CCOCCN(C)C(=O)[C@H]1CCCN1C	ZINC001333207716	917427905	/nfs/dbraw/zinc/42/79/05/917427905.db2.gz	XEQZSYDEXVWPFQ-GFCCVEGCSA-N	1	3	300.403	-1.109	20	0		DAADHO
CN1CCN(C2CN(C(=O)C3CN(C)CC[N@H+](C)C3)C2)CC1	ZINC001334141352	917478234	/nfs/dbraw/zinc/47/82/34/917478234.db2.gz	WPAUIOLLVIXDMS-UHFFFAOYSA-N	1	3	309.458	-1.062	20	0		DAADHO
CN1CCN(C2CN(C(=O)C3CN(C)CC[N@@H+](C)C3)C2)CC1	ZINC001334141352	917478241	/nfs/dbraw/zinc/47/82/41/917478241.db2.gz	WPAUIOLLVIXDMS-UHFFFAOYSA-N	1	3	309.458	-1.062	20	0		DAADHO
O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCNCCNCC1	ZINC001335218959	917531717	/nfs/dbraw/zinc/53/17/17/917531717.db2.gz	HKSYUGMAXOOFOR-ZDUSSCGKSA-N	1	3	323.441	-1.392	20	0		DAADHO
O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCNCCNCC1	ZINC001335218959	917531727	/nfs/dbraw/zinc/53/17/27/917531727.db2.gz	HKSYUGMAXOOFOR-ZDUSSCGKSA-N	1	3	323.441	-1.392	20	0		DAADHO
O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCNCCNCC1	ZINC001335218958	917533662	/nfs/dbraw/zinc/53/36/62/917533662.db2.gz	HKSYUGMAXOOFOR-CYBMUJFWSA-N	1	3	323.441	-1.392	20	0		DAADHO
O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCNCCNCC1	ZINC001335218958	917533672	/nfs/dbraw/zinc/53/36/72/917533672.db2.gz	HKSYUGMAXOOFOR-CYBMUJFWSA-N	1	3	323.441	-1.392	20	0		DAADHO
COCCN(C)CCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O	ZINC001341685052	917764824	/nfs/dbraw/zinc/76/48/24/917764824.db2.gz	RDNUXKGPCFIBFG-GFCCVEGCSA-N	1	3	300.403	-1.122	20	0		DAADHO
CN1CCNC[C@H]1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC001343487837	917811533	/nfs/dbraw/zinc/81/15/33/917811533.db2.gz	SLDHZOSYRZLPCV-QWRGUYRKSA-N	1	3	323.363	-1.158	20	0		DAADHO
C[C@H]1C[C@H](NC(=O)C(=O)N2CCNCCNCC2)CC[N@@H+]1C	ZINC001345911106	917866361	/nfs/dbraw/zinc/86/63/61/917866361.db2.gz	IDBLTGFWDZPHMR-QWHCGFSZSA-N	1	3	311.430	-1.393	20	0		DAADHO
C[C@H]1C[C@H](NC(=O)C(=O)N2CCNCCNCC2)CC[N@H+]1C	ZINC001345911106	917866374	/nfs/dbraw/zinc/86/63/74/917866374.db2.gz	IDBLTGFWDZPHMR-QWHCGFSZSA-N	1	3	311.430	-1.393	20	0		DAADHO
C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)CN1CCN(C)CC1	ZINC001347074618	917909578	/nfs/dbraw/zinc/90/95/78/917909578.db2.gz	BMTBMWHDULNINT-STQMWFEESA-N	1	3	311.430	-1.536	20	0		DAADHO
C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CCCN1CCN(C)CC1	ZINC001347090660	917910033	/nfs/dbraw/zinc/91/00/33/917910033.db2.gz	KJILKUDZEPZXAM-CYBMUJFWSA-N	1	3	313.446	-1.194	20	0		DAADHO
C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(=O)NC(N)=O	ZINC001366095472	919281850	/nfs/dbraw/zinc/28/18/50/919281850.db2.gz	ZARRJSQVYOIHSW-OUAUKWLOSA-N	1	3	311.386	-1.146	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001366339140	919312409	/nfs/dbraw/zinc/31/24/09/919312409.db2.gz	BZDGEORLTAADNR-QWRGUYRKSA-N	1	3	313.402	-1.122	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001366339140	919312427	/nfs/dbraw/zinc/31/24/27/919312427.db2.gz	BZDGEORLTAADNR-QWRGUYRKSA-N	1	3	313.402	-1.122	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CN1CCCC1	ZINC001366774392	919378692	/nfs/dbraw/zinc/37/86/92/919378692.db2.gz	JJWVCQVTCGIUPV-NSHDSACASA-N	1	3	313.402	-1.026	20	0		DAADHO
CC[C@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)NC(N)=O)N(C)C	ZINC001367262560	919444691	/nfs/dbraw/zinc/44/46/91/919444691.db2.gz	QLNIRJCDNYIXAI-NXEZZACHSA-N	1	3	301.391	-1.137	20	0		DAADHO
CC(C)[C@@H](C(=O)NC[C@H](O)CNCC(=O)N1CCC1)[NH+](C)C	ZINC001367585475	919493487	/nfs/dbraw/zinc/49/34/87/919493487.db2.gz	FXFVHRRBTSGGMI-OCCSQVGLSA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)[C@H](C(=O)NC[C@H](O)CNCC(=O)NC(N)=O)[NH+](C)C	ZINC001367598893	919511794	/nfs/dbraw/zinc/51/17/94/919511794.db2.gz	DDQNUPREDJWTGY-MWLCHTKSSA-N	1	3	317.390	-2.166	20	0		DAADHO
CN(C)C(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001367628053	919540756	/nfs/dbraw/zinc/54/07/56/919540756.db2.gz	WMNPFVRQZCUZNY-VXGBXAGGSA-N	1	3	300.403	-1.517	20	0		DAADHO
CN(C)C(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001367628053	919540770	/nfs/dbraw/zinc/54/07/70/919540770.db2.gz	WMNPFVRQZCUZNY-VXGBXAGGSA-N	1	3	300.403	-1.517	20	0		DAADHO
CC[C@@H](C(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O)N(C)C	ZINC001368393513	919714414	/nfs/dbraw/zinc/71/44/14/919714414.db2.gz	FUIWEQTYILWSAW-RYUDHWBXSA-N	1	3	300.403	-1.374	20	0		DAADHO
CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)CCC[NH+](C)C	ZINC001369483797	919957940	/nfs/dbraw/zinc/95/79/40/919957940.db2.gz	MGYKXMNFKDDXCN-RYUDHWBXSA-N	1	3	300.403	-1.374	20	0		DAADHO
C[C@@H](N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O	ZINC001370405842	920057218	/nfs/dbraw/zinc/05/72/18/920057218.db2.gz	RWQQWUSJADPUNC-MNOVXSKESA-N	1	3	323.397	-1.144	20	0		DAADHO
CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)C1	ZINC001371545768	920287023	/nfs/dbraw/zinc/28/70/23/920287023.db2.gz	NUFLBLKXNGVTIM-NSHDSACASA-N	1	3	313.402	-1.026	20	0		DAADHO
NC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1	ZINC001371626111	920291613	/nfs/dbraw/zinc/29/16/13/920291613.db2.gz	XRKQGYAVWBDMNE-NSHDSACASA-N	1	3	311.386	-1.285	20	0		DAADHO
CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O)N(C)C	ZINC001374284376	920599222	/nfs/dbraw/zinc/59/92/22/920599222.db2.gz	UWFUOGFGQIISOH-ZJUUUORDSA-N	1	3	301.391	-1.042	20	0		DAADHO
CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O)N(C)C	ZINC001374315110	920602084	/nfs/dbraw/zinc/60/20/84/920602084.db2.gz	UWFUOGFGQIISOH-NXEZZACHSA-N	1	3	301.391	-1.042	20	0		DAADHO
CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O)N(C)C	ZINC001374315113	920602664	/nfs/dbraw/zinc/60/26/64/920602664.db2.gz	UWFUOGFGQIISOH-VHSXEESVSA-N	1	3	301.391	-1.042	20	0		DAADHO
CCCN(C)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O	ZINC001374674946	920687203	/nfs/dbraw/zinc/68/72/03/920687203.db2.gz	SOAGWDVFCSRURD-VXGBXAGGSA-N	1	3	300.403	-1.327	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)NC(N)=O	ZINC001374685548	920693321	/nfs/dbraw/zinc/69/33/21/920693321.db2.gz	OVCLRQADXRRBBW-ZJUUUORDSA-N	1	3	317.390	-2.023	20	0		DAADHO
CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(=O)NC)N(C)C	ZINC001374903628	920725564	/nfs/dbraw/zinc/72/55/64/920725564.db2.gz	CJEOHEUJGPAFRH-VHSXEESVSA-N	1	3	301.391	-1.124	20	0		DAADHO
CNC(=O)CN[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001376312651	920917764	/nfs/dbraw/zinc/91/77/64/920917764.db2.gz	FHINUCFACBVXEL-LBPRGKRZSA-N	1	3	322.413	-1.005	20	0		DAADHO
C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1	ZINC001376339275	920922215	/nfs/dbraw/zinc/92/22/15/920922215.db2.gz	GKCBBELSCIDQRR-ZJUUUORDSA-N	1	3	322.369	-1.026	20	0		DAADHO
C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1	ZINC001376339264	920923510	/nfs/dbraw/zinc/92/35/10/920923510.db2.gz	GKCBBELSCIDQRR-NXEZZACHSA-N	1	3	322.369	-1.026	20	0		DAADHO
CC(C)N(C)CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(N)=O	ZINC001377603965	921845720	/nfs/dbraw/zinc/84/57/20/921845720.db2.gz	SVSMXWMKRUNNJU-JTQLQIEISA-N	1	3	301.391	-1.042	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C	ZINC001378748363	922002725	/nfs/dbraw/zinc/00/27/25/922002725.db2.gz	CXSVAGVYCIUSKM-MNOVXSKESA-N	1	3	313.402	-1.027	20	0		DAADHO
CN(CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O)C1CCC1	ZINC001379206501	922071731	/nfs/dbraw/zinc/07/17/31/922071731.db2.gz	ODECZFPZFBALPQ-CHWSQXEVSA-N	1	3	312.414	-1.184	20	0		DAADHO
CN(C)C1(C(=O)NC[C@H](O)C[NH2+][C@@H]2CCN(C)C2=O)CCC1	ZINC001379208441	922074772	/nfs/dbraw/zinc/07/47/72/922074772.db2.gz	SPIVCEKUZCNCER-VXGBXAGGSA-N	1	3	312.414	-1.232	20	0		DAADHO
CN(CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1)C1CCC1	ZINC001379208860	922075638	/nfs/dbraw/zinc/07/56/38/922075638.db2.gz	UAOISUYWBZMKIJ-CYBMUJFWSA-N	1	3	312.414	-1.230	20	0		DAADHO
O=C(CNC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)N1CCCC1	ZINC001379253476	922101853	/nfs/dbraw/zinc/10/18/53/922101853.db2.gz	ANZLWRJEFGKQSP-ZDUSSCGKSA-N	1	3	324.425	-1.229	20	0		DAADHO
CC(C)NC(=O)CNC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2	ZINC001379259639	922106218	/nfs/dbraw/zinc/10/62/18/922106218.db2.gz	PZVLWNJUSGMKCT-LBPRGKRZSA-N	1	3	312.414	-1.327	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)C	ZINC001379299979	922119193	/nfs/dbraw/zinc/11/91/93/922119193.db2.gz	YRMXTYNPMYRGJE-SNVBAGLBSA-N	1	3	317.390	-2.151	20	0		DAADHO
C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001379357907	922132115	/nfs/dbraw/zinc/13/21/15/922132115.db2.gz	KFAHPEXXBYARJK-KOLCDFICSA-N	1	3	311.386	-1.383	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C	ZINC001379470519	922187430	/nfs/dbraw/zinc/18/74/30/922187430.db2.gz	XUBGCPOJDYJVNF-SNVBAGLBSA-N	1	3	301.391	-1.124	20	0		DAADHO
CN(C[C@H](O)CN[C@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C	ZINC001379846951	922278554	/nfs/dbraw/zinc/27/85/54/922278554.db2.gz	XVECVBLMXGJTOZ-NEPJUHHUSA-N	1	3	300.403	-1.422	20	0		DAADHO
CN(C[C@@H](O)CN[C@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C	ZINC001379846965	922279026	/nfs/dbraw/zinc/27/90/26/922279026.db2.gz	XVECVBLMXGJTOZ-RYUDHWBXSA-N	1	3	300.403	-1.422	20	0		DAADHO
CC[C@H](C(=O)N(CCO)CC[NH2+][C@@H]1CCN(C)C1=O)N(C)C	ZINC001380765492	922454363	/nfs/dbraw/zinc/45/43/63/922454363.db2.gz	MDADSBWALIACLW-CHWSQXEVSA-N	1	3	314.430	-1.032	20	0		DAADHO
C[C@H]([NH2+]CCN(CCO)C(=O)C1(N(C)C)CCC1)C(N)=O	ZINC001380764780	922455096	/nfs/dbraw/zinc/45/50/96/922455096.db2.gz	LGPJHFNBLHWZBT-NSHDSACASA-N	1	3	300.403	-1.245	20	0		DAADHO
CN(C)C1(C(=O)N(CCO)CC[NH2+][C@H]2CCNC2=O)CCC1	ZINC001380765678	922455488	/nfs/dbraw/zinc/45/54/88/922455488.db2.gz	NOMDOIDCMMDGRF-LBPRGKRZSA-N	1	3	312.414	-1.230	20	0		DAADHO
CNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1	ZINC001380917036	922478998	/nfs/dbraw/zinc/47/89/98/922478998.db2.gz	XPMXNVCOOMVGAP-KGLIPLIRSA-N	1	3	324.425	-1.109	20	0		DAADHO
CNC(=O)CNCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1	ZINC001381168122	922508024	/nfs/dbraw/zinc/50/80/24/922508024.db2.gz	LYCWHGIOFSUXTR-GFCCVEGCSA-N	1	3	312.414	-1.373	20	0		DAADHO
CNC(=O)CNCC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1	ZINC001381168122	922508039	/nfs/dbraw/zinc/50/80/39/922508039.db2.gz	LYCWHGIOFSUXTR-GFCCVEGCSA-N	1	3	312.414	-1.373	20	0		DAADHO
CNC(=O)CNCC1(O)CCN(C(=O)C23CC[NH+](CC2)C3)CC1	ZINC001381158077	922508201	/nfs/dbraw/zinc/50/82/01/922508201.db2.gz	SCBVDYDILYDENN-UHFFFAOYSA-N	1	3	324.425	-1.229	20	0		DAADHO
COC[C@H](O)CN1CCC(CO)(NC(=O)CC[NH+](C)C)CC1	ZINC001381256579	922516053	/nfs/dbraw/zinc/51/60/53/922516053.db2.gz	UXRRTACBUMQXQZ-CYBMUJFWSA-N	1	3	317.430	-1.112	20	0		DAADHO
Cn1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1=O	ZINC001382276847	922661084	/nfs/dbraw/zinc/66/10/84/922661084.db2.gz	YYUFGAPHEJOMLR-ZIAGYGMSSA-N	1	3	322.409	-1.096	20	0		DAADHO
Cn1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1=O	ZINC001382276847	922661099	/nfs/dbraw/zinc/66/10/99/922661099.db2.gz	YYUFGAPHEJOMLR-ZIAGYGMSSA-N	1	3	322.409	-1.096	20	0		DAADHO
CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)C1CC[NH+](C)CC1	ZINC001382414401	922734406	/nfs/dbraw/zinc/73/44/06/922734406.db2.gz	OMURVKCIIVAEFB-CHWSQXEVSA-N	1	3	312.414	-1.374	20	0		DAADHO
CC(C)NC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001382439922	922751500	/nfs/dbraw/zinc/75/15/00/922751500.db2.gz	HGJRFWUTNSYNJE-OLZOCXBDSA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)NC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001382439922	922751513	/nfs/dbraw/zinc/75/15/13/922751513.db2.gz	HGJRFWUTNSYNJE-OLZOCXBDSA-N	1	3	314.430	-1.128	20	0		DAADHO
CCN(CC)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001382438086	922752176	/nfs/dbraw/zinc/75/21/76/922752176.db2.gz	DDCFSJNRWPFRHK-CHWSQXEVSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(CC)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001382438086	922752189	/nfs/dbraw/zinc/75/21/89/922752189.db2.gz	DDCFSJNRWPFRHK-CHWSQXEVSA-N	1	3	314.430	-1.127	20	0		DAADHO
CC[C@@H](C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)N(C)C	ZINC001384832907	923131259	/nfs/dbraw/zinc/13/12/59/923131259.db2.gz	SFFAVAVHZGKUSB-AGIUHOORSA-N	1	3	314.430	-1.034	20	0		DAADHO
CCCN(C)CC(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1	ZINC001384832922	923131910	/nfs/dbraw/zinc/13/19/10/923131910.db2.gz	SNBYWGNDMZLTEZ-OLZOCXBDSA-N	1	3	314.430	-1.032	20	0		DAADHO
CCCN(C)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001389095025	923549026	/nfs/dbraw/zinc/54/90/26/923549026.db2.gz	ILJQNSUBLGZGPZ-OLZOCXBDSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCCN(C)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001389095025	923549038	/nfs/dbraw/zinc/54/90/38/923549038.db2.gz	ILJQNSUBLGZGPZ-OLZOCXBDSA-N	1	3	314.430	-1.127	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001390570663	923759563	/nfs/dbraw/zinc/75/95/63/923759563.db2.gz	ZTEZVNFJXVGMPV-NSHDSACASA-N	1	3	323.397	-1.272	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001391217893	923820095	/nfs/dbraw/zinc/82/00/95/923820095.db2.gz	GKPUCTVUCWDAFW-GHMZBOCLSA-N	1	3	313.402	-1.170	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001391217893	923820108	/nfs/dbraw/zinc/82/01/08/923820108.db2.gz	GKPUCTVUCWDAFW-GHMZBOCLSA-N	1	3	313.402	-1.170	20	0		DAADHO
CCN(CC)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001392099934	923933492	/nfs/dbraw/zinc/93/34/92/923933492.db2.gz	QYHQNFCFXYXZNX-QWHCGFSZSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(CC)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001392099934	923933499	/nfs/dbraw/zinc/93/34/99/923933499.db2.gz	QYHQNFCFXYXZNX-QWHCGFSZSA-N	1	3	314.430	-1.127	20	0		DAADHO
C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1	ZINC001392100504	923933683	/nfs/dbraw/zinc/93/36/83/923933683.db2.gz	NIBSPVHQXQJNKU-GHMZBOCLSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1	ZINC001392100504	923933694	/nfs/dbraw/zinc/93/36/94/923933694.db2.gz	NIBSPVHQXQJNKU-GHMZBOCLSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001392125876	923938444	/nfs/dbraw/zinc/93/84/44/923938444.db2.gz	QVAXITGIRGGANE-MNOVXSKESA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001392125876	923938449	/nfs/dbraw/zinc/93/84/49/923938449.db2.gz	QVAXITGIRGGANE-MNOVXSKESA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CC(=O)NC(N)=O	ZINC001392179596	923946148	/nfs/dbraw/zinc/94/61/48/923946148.db2.gz	HIDHHVIFCRISIP-MWLCHTKSSA-N	1	3	322.369	-1.026	20	0		DAADHO
CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001392374369	923985355	/nfs/dbraw/zinc/98/53/55/923985355.db2.gz	JVEKVKSGFMBBET-STQMWFEESA-N	1	3	312.414	-1.469	20	0		DAADHO
CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001392374360	923987018	/nfs/dbraw/zinc/98/70/18/923987018.db2.gz	JVEKVKSGFMBBET-OLZOCXBDSA-N	1	3	312.414	-1.469	20	0		DAADHO
CN(CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C1CCC1	ZINC001392376828	923988895	/nfs/dbraw/zinc/98/88/95/923988895.db2.gz	RADHILNUVROJCT-QWHCGFSZSA-N	1	3	312.414	-1.232	20	0		DAADHO
CN(CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O)C1CCC1	ZINC001392376829	923990295	/nfs/dbraw/zinc/99/02/95/923990295.db2.gz	RADHILNUVROJCT-STQMWFEESA-N	1	3	312.414	-1.232	20	0		DAADHO
CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](O)CNCC(N)=O)C1	ZINC001392390233	924003359	/nfs/dbraw/zinc/00/33/59/924003359.db2.gz	HRPBCEHUMXUDDA-RYUDHWBXSA-N	1	3	300.403	-1.340	20	0		DAADHO
CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](O)CNCC(N)=O)C1	ZINC001392390233	924003372	/nfs/dbraw/zinc/00/33/72/924003372.db2.gz	HRPBCEHUMXUDDA-RYUDHWBXSA-N	1	3	300.403	-1.340	20	0		DAADHO
CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](O)CNCC(N)=O)C1	ZINC001392390232	924003982	/nfs/dbraw/zinc/00/39/82/924003982.db2.gz	HRPBCEHUMXUDDA-NWDGAFQWSA-N	1	3	300.403	-1.340	20	0		DAADHO
CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](O)CNCC(N)=O)C1	ZINC001392390232	924003994	/nfs/dbraw/zinc/00/39/94/924003994.db2.gz	HRPBCEHUMXUDDA-NWDGAFQWSA-N	1	3	300.403	-1.340	20	0		DAADHO
CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1	ZINC001392394290	924005675	/nfs/dbraw/zinc/00/56/75/924005675.db2.gz	PCNANZJGAIZABC-RWMBFGLXSA-N	1	3	314.430	-1.081	20	0		DAADHO
CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC001392394290	924005688	/nfs/dbraw/zinc/00/56/88/924005688.db2.gz	PCNANZJGAIZABC-RWMBFGLXSA-N	1	3	314.430	-1.081	20	0		DAADHO
C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNCC(=O)N(C)C)CC[N@@H+]1C	ZINC001392396743	924010278	/nfs/dbraw/zinc/01/02/78/924010278.db2.gz	UBVPIYAMRUNUTQ-RWMBFGLXSA-N	1	3	314.430	-1.128	20	0		DAADHO
C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNCC(=O)N(C)C)CC[N@H+]1C	ZINC001392396743	924010286	/nfs/dbraw/zinc/01/02/86/924010286.db2.gz	UBVPIYAMRUNUTQ-RWMBFGLXSA-N	1	3	314.430	-1.128	20	0		DAADHO
C[C@H](C(=O)NC[C@H](O)CNCC(N)=O)[NH+]1CCCCCC1	ZINC001392414104	924019226	/nfs/dbraw/zinc/01/92/26/924019226.db2.gz	VQDRPTVJMYUIQB-VXGBXAGGSA-N	1	3	300.403	-1.197	20	0		DAADHO
C[C@H](C(=O)NC[C@@H](O)CNCC(N)=O)[NH+]1CCCCCC1	ZINC001392414094	924020065	/nfs/dbraw/zinc/02/00/65/924020065.db2.gz	VQDRPTVJMYUIQB-NEPJUHHUSA-N	1	3	300.403	-1.197	20	0		DAADHO
CN(C)C(=O)CNC[C@H](O)CNC(=O)CC1CC[NH+](C)CC1	ZINC001392411651	924021142	/nfs/dbraw/zinc/02/11/42/924021142.db2.gz	XAQIYTSVLPYFPY-ZDUSSCGKSA-N	1	3	314.430	-1.127	20	0		DAADHO
CC(C)NC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001392427015	924028230	/nfs/dbraw/zinc/02/82/30/924028230.db2.gz	SLRLKXQNPOQSJZ-QWHCGFSZSA-N	1	3	314.430	-1.081	20	0		DAADHO
CC(C)NC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001392427015	924028243	/nfs/dbraw/zinc/02/82/43/924028243.db2.gz	SLRLKXQNPOQSJZ-QWHCGFSZSA-N	1	3	314.430	-1.081	20	0		DAADHO
CC[C@H](C(N)=O)N1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1	ZINC001393271694	924143170	/nfs/dbraw/zinc/14/31/70/924143170.db2.gz	BVQBGOUWWPFZOT-IUODEOHRSA-N	1	3	312.414	-1.101	20	0		DAADHO
CC[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CN2CCCC2)C1	ZINC001393271694	924143186	/nfs/dbraw/zinc/14/31/86/924143186.db2.gz	BVQBGOUWWPFZOT-IUODEOHRSA-N	1	3	312.414	-1.101	20	0		DAADHO
CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CN2CCCC2)C1	ZINC001393271694	924143192	/nfs/dbraw/zinc/14/31/92/924143192.db2.gz	BVQBGOUWWPFZOT-IUODEOHRSA-N	1	3	312.414	-1.101	20	0		DAADHO
NC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1	ZINC001393575461	924228078	/nfs/dbraw/zinc/22/80/78/924228078.db2.gz	DCQDRIKINCFHPA-CHWSQXEVSA-N	1	3	310.398	-1.370	20	0		DAADHO
CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCC1)N(C)C	ZINC001394749157	924376491	/nfs/dbraw/zinc/37/64/91/924376491.db2.gz	BOAOTABOFJAYPM-OLZOCXBDSA-N	1	3	314.430	-1.032	20	0		DAADHO
CCN(CC)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O	ZINC001396428746	924522945	/nfs/dbraw/zinc/52/29/45/924522945.db2.gz	NIAMDBHPGUTHBY-OLZOCXBDSA-N	1	3	314.430	-1.032	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1	ZINC001398534391	924646055	/nfs/dbraw/zinc/64/60/55/924646055.db2.gz	IEANUUAPJLUUNJ-NSHDSACASA-N	1	3	311.386	-1.272	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001398927261	924678854	/nfs/dbraw/zinc/67/88/54/924678854.db2.gz	TZFCQAQQKXIEOG-HBNTYKKESA-N	1	3	313.402	-1.124	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001398927261	924678861	/nfs/dbraw/zinc/67/88/61/924678861.db2.gz	TZFCQAQQKXIEOG-HBNTYKKESA-N	1	3	313.402	-1.124	20	0		DAADHO
C[C@@H](N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)C(=O)NC(N)=O	ZINC001399125500	924692015	/nfs/dbraw/zinc/69/20/15/924692015.db2.gz	TWUJRCJVSRLYOM-VHSXEESVSA-N	1	3	311.386	-1.240	20	0		DAADHO
CCNC(=O)CNC[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1	ZINC001401552629	924885485	/nfs/dbraw/zinc/88/54/85/924885485.db2.gz	CMWPJHBZYVSPNM-CYBMUJFWSA-N	1	3	314.430	-1.079	20	0		DAADHO
CN1CC[C@@H](NC[C@H](O)CNC(=O)C2CC[NH+](C)CC2)C1=O	ZINC001401556186	924888559	/nfs/dbraw/zinc/88/85/59/924888559.db2.gz	NTXAQKAJUQUKHR-QWHCGFSZSA-N	1	3	312.414	-1.374	20	0		DAADHO
C[NH+](C)CC1(C(=O)NC[C@H](O)CN[C@H]2CCCNC2=O)CC1	ZINC001401559588	924890297	/nfs/dbraw/zinc/89/02/97/924890297.db2.gz	DBKIPZRQSQGDOT-NEPJUHHUSA-N	1	3	312.414	-1.327	20	0		DAADHO
CC(C)[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N(C)C)[NH+](C)C	ZINC001401563485	924892250	/nfs/dbraw/zinc/89/22/50/924892250.db2.gz	IIZNOMZOSXNCDI-AAEUAGOBSA-N	1	3	302.419	-1.273	20	0		DAADHO
C[NH+]1CCC(C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O)CC1	ZINC001401565838	924894065	/nfs/dbraw/zinc/89/40/65/924894065.db2.gz	WUFITROPOWQCQG-JTQLQIEISA-N	1	3	315.374	-2.410	20	0		DAADHO
CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2	ZINC001401575264	924899489	/nfs/dbraw/zinc/89/94/89/924899489.db2.gz	WVGXKLCSISMBTE-VXGBXAGGSA-N	1	3	312.414	-1.184	20	0		DAADHO
CNC(=O)NC(=O)CNC[C@H](C)NC(=O)C12CC[NH+](CC1)C2	ZINC001401719360	924916040	/nfs/dbraw/zinc/91/60/40/924916040.db2.gz	UHCNXOJCCUSCDG-JTQLQIEISA-N	1	3	311.386	-1.368	20	0		DAADHO
CNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1	ZINC001402252347	924953828	/nfs/dbraw/zinc/95/38/28/924953828.db2.gz	ZTEPKSBZQOQWJU-GFCCVEGCSA-N	1	3	312.414	-1.061	20	0		DAADHO
CNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1	ZINC001402252347	924953832	/nfs/dbraw/zinc/95/38/32/924953832.db2.gz	ZTEPKSBZQOQWJU-GFCCVEGCSA-N	1	3	312.414	-1.061	20	0		DAADHO
CNC(=O)[C@@H](C)N1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1	ZINC001402292853	924966280	/nfs/dbraw/zinc/96/62/80/924966280.db2.gz	ODBGZSAWBXFCCQ-DOMZBBRYSA-N	1	3	312.414	-1.230	20	0		DAADHO
C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)NCC(=O)NC(N)=O	ZINC001403049871	925049562	/nfs/dbraw/zinc/04/95/62/925049562.db2.gz	YIXZSGUXLKCLSG-VHSXEESVSA-N	1	3	311.386	-1.240	20	0		DAADHO
C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)C12CC[NH+](CC1)C2	ZINC001403049856	925050835	/nfs/dbraw/zinc/05/08/35/925050835.db2.gz	YIXZSGUXLKCLSG-UWVGGRQHSA-N	1	3	311.386	-1.240	20	0		DAADHO
CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1	ZINC001403248515	925067275	/nfs/dbraw/zinc/06/72/75/925067275.db2.gz	CEMQOBWIUXIOMM-LLVKDONJSA-N	1	3	313.402	-1.040	20	0		DAADHO
CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2	ZINC001403875094	925160664	/nfs/dbraw/zinc/16/06/64/925160664.db2.gz	FFMOORGYOVQJHY-RYUDHWBXSA-N	1	3	312.414	-1.374	20	0		DAADHO
CN1CCC[C@H](NC[C@H](O)CNC(=O)CC[NH+](C)C)C1=O	ZINC001406253518	925379592	/nfs/dbraw/zinc/37/95/92/925379592.db2.gz	CRMXIYIWMRNCKP-RYUDHWBXSA-N	1	3	300.403	-1.374	20	0		DAADHO
CC[C@H](NC[C@H](O)CNC(=O)C1CC[NH+](C)CC1)C(N)=O	ZINC001406258707	925382033	/nfs/dbraw/zinc/38/20/33/925382033.db2.gz	NHWSZAZXEMBBFT-RYUDHWBXSA-N	1	3	300.403	-1.341	20	0		DAADHO
CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)CC1CC[NH+](C)CC1	ZINC001406266541	925385686	/nfs/dbraw/zinc/38/56/86/925385686.db2.gz	MOYKTODHLJFZON-YPMHNXCESA-N	1	3	314.430	-1.081	20	0		DAADHO
CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1	ZINC001406263865	925386008	/nfs/dbraw/zinc/38/60/08/925386008.db2.gz	FZDHGAQQLVCJQJ-QWRGUYRKSA-N	1	3	300.403	-1.471	20	0		DAADHO
CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)CC1CC[NH+](C)CC1	ZINC001406266525	925386822	/nfs/dbraw/zinc/38/68/22/925386822.db2.gz	MOYKTODHLJFZON-AAEUAGOBSA-N	1	3	314.430	-1.081	20	0		DAADHO
CNC(=O)CNC[C@H](O)CNC(=O)COC1CC[NH+](C)CC1	ZINC001406269013	925388654	/nfs/dbraw/zinc/38/86/54/925388654.db2.gz	BWYQSOZUGJGORN-NSHDSACASA-N	1	3	316.402	-2.090	20	0		DAADHO
CC(C)N(C)C(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001406284168	925394095	/nfs/dbraw/zinc/39/40/95/925394095.db2.gz	JXZQMMNUQONPGP-QWHCGFSZSA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)N(C)C(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001406284168	925394101	/nfs/dbraw/zinc/39/41/01/925394101.db2.gz	JXZQMMNUQONPGP-QWHCGFSZSA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O	ZINC001406315514	925401656	/nfs/dbraw/zinc/40/16/56/925401656.db2.gz	YUAGPAYIRIUHIM-RYUDHWBXSA-N	1	3	300.403	-1.376	20	0		DAADHO
CNC(=O)CNC1(CNC(=O)CC[NH+](C)C)CCOCC1	ZINC001407293859	925461896	/nfs/dbraw/zinc/46/18/96/925461896.db2.gz	HYLDDGZEQUWCNA-UHFFFAOYSA-N	1	3	300.403	-1.061	20	0		DAADHO
CC(C)[C@H](C(=O)N(CCO)CCN[C@@H]1CCNC1=O)[NH+](C)C	ZINC001407662866	925517462	/nfs/dbraw/zinc/51/74/62/925517462.db2.gz	QOEDIIIBCMLUFE-CHWSQXEVSA-N	1	3	314.430	-1.128	20	0		DAADHO
C[C@@H](NC[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1)C(N)=O	ZINC001411088937	925810959	/nfs/dbraw/zinc/81/09/59/925810959.db2.gz	LRRCBWIMVGJOLP-GHMZBOCLSA-N	1	3	300.403	-1.389	20	0		DAADHO
C[C@@H](NC[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1)C(N)=O	ZINC001411088938	925811820	/nfs/dbraw/zinc/81/18/20/925811820.db2.gz	LRRCBWIMVGJOLP-MNOVXSKESA-N	1	3	300.403	-1.389	20	0		DAADHO
C[C@H](NC[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1)C(N)=O	ZINC001411088940	925811984	/nfs/dbraw/zinc/81/19/84/925811984.db2.gz	LRRCBWIMVGJOLP-WDEREUQCSA-N	1	3	300.403	-1.389	20	0		DAADHO
CN(C[C@@H](O)CNCC(=O)N1CCC1)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001411138489	925818387	/nfs/dbraw/zinc/81/83/87/925818387.db2.gz	LVEWAOCBNPMCPJ-OLZOCXBDSA-N	1	3	312.414	-1.421	20	0		DAADHO
CN(C[C@@H](O)CNCC(=O)N1CCC1)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001411138489	925818394	/nfs/dbraw/zinc/81/83/94/925818394.db2.gz	LVEWAOCBNPMCPJ-OLZOCXBDSA-N	1	3	312.414	-1.421	20	0		DAADHO
CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1O	ZINC001414059554	926103895	/nfs/dbraw/zinc/10/38/95/926103895.db2.gz	HLYWOWSDAKUHJS-OLZOCXBDSA-N	1	3	323.397	-1.018	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1O	ZINC001414059554	926103902	/nfs/dbraw/zinc/10/39/02/926103902.db2.gz	HLYWOWSDAKUHJS-OLZOCXBDSA-N	1	3	323.397	-1.018	20	0		DAADHO
NC(=O)NC(=O)CN[C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1	ZINC001418011365	926357252	/nfs/dbraw/zinc/35/72/52/926357252.db2.gz	SIMJSVLERGQABX-LLVKDONJSA-N	1	3	323.397	-1.239	20	0		DAADHO
CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1	ZINC001418349690	926385529	/nfs/dbraw/zinc/38/55/29/926385529.db2.gz	NQVMHCDVFBNQAA-NSHDSACASA-N	1	3	313.402	-1.039	20	0		DAADHO
CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NC(N)=O	ZINC001419263908	926470496	/nfs/dbraw/zinc/47/04/96/926470496.db2.gz	PMSOBVZIAHUSIF-SNVBAGLBSA-N	1	3	311.386	-1.239	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(N)=O	ZINC001419533273	926482942	/nfs/dbraw/zinc/48/29/42/926482942.db2.gz	FPFUULZTFQQMQG-JTQLQIEISA-N	1	3	301.391	-1.137	20	0		DAADHO
CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(=O)NC)N(C)C	ZINC001419775362	926499753	/nfs/dbraw/zinc/49/97/53/926499753.db2.gz	PFTQOOOMTVEUMM-NXEZZACHSA-N	1	3	301.391	-1.124	20	0		DAADHO
CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1)N(C)C	ZINC001420014242	926515307	/nfs/dbraw/zinc/51/53/07/926515307.db2.gz	XVKFDOWYUHRBSU-MNOVXSKESA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O)CC[N@@H+]1C	ZINC001420131981	926536186	/nfs/dbraw/zinc/53/61/86/926536186.db2.gz	WSGAHVOMZIERCW-KXUCPTDWSA-N	1	3	315.374	-2.412	20	0		DAADHO
C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O)CC[N@H+]1C	ZINC001420131981	926536191	/nfs/dbraw/zinc/53/61/91/926536191.db2.gz	WSGAHVOMZIERCW-KXUCPTDWSA-N	1	3	315.374	-2.412	20	0		DAADHO
CN(C)C(=O)CNC[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1	ZINC001420148697	926542902	/nfs/dbraw/zinc/54/29/02/926542902.db2.gz	DFCGXQOOZWCTIU-NSHDSACASA-N	1	3	300.403	-1.517	20	0		DAADHO
CN(C)C(=O)CNC[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1	ZINC001420148695	926543005	/nfs/dbraw/zinc/54/30/05/926543005.db2.gz	DFCGXQOOZWCTIU-LLVKDONJSA-N	1	3	300.403	-1.517	20	0		DAADHO
C[C@H]([NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCC1)C(N)=O	ZINC001420154586	926544682	/nfs/dbraw/zinc/54/46/82/926544682.db2.gz	FKBQAKGBWYTTHR-WDEREUQCSA-N	1	3	300.403	-1.199	20	0		DAADHO
C[C@H](NC[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O	ZINC001420154586	926544684	/nfs/dbraw/zinc/54/46/84/926544684.db2.gz	FKBQAKGBWYTTHR-WDEREUQCSA-N	1	3	300.403	-1.199	20	0		DAADHO
CNC(=O)NC(=O)[C@H](C)NC[C@@H](O)CNC(=O)CC[NH+](C)C	ZINC001420153362	926545037	/nfs/dbraw/zinc/54/50/37/926545037.db2.gz	ZYMDJNHKUSJWEJ-VHSXEESVSA-N	1	3	317.390	-2.151	20	0		DAADHO
CC(C)CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001420185764	926555267	/nfs/dbraw/zinc/55/52/67/926555267.db2.gz	ANKYOOOCQXRKDH-STQMWFEESA-N	1	3	314.430	-1.223	20	0		DAADHO
CC(C)CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001420185764	926555275	/nfs/dbraw/zinc/55/52/75/926555275.db2.gz	ANKYOOOCQXRKDH-STQMWFEESA-N	1	3	314.430	-1.223	20	0		DAADHO
CC(C)CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001420185751	926556583	/nfs/dbraw/zinc/55/65/83/926556583.db2.gz	ANKYOOOCQXRKDH-CHWSQXEVSA-N	1	3	314.430	-1.223	20	0		DAADHO
CC(C)CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001420185751	926556589	/nfs/dbraw/zinc/55/65/89/926556589.db2.gz	ANKYOOOCQXRKDH-CHWSQXEVSA-N	1	3	314.430	-1.223	20	0		DAADHO
CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O)N(C)C	ZINC001420191789	926559194	/nfs/dbraw/zinc/55/91/94/926559194.db2.gz	HCZDKCYLBRZCOM-BDAKNGLRSA-N	1	3	303.363	-2.412	20	0		DAADHO
CC(C)NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001420192854	926559309	/nfs/dbraw/zinc/55/93/09/926559309.db2.gz	RSRWDHBMAIMYEO-NEPJUHHUSA-N	1	3	300.403	-1.471	20	0		DAADHO
CC(C)NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001420192854	926559314	/nfs/dbraw/zinc/55/93/14/926559314.db2.gz	RSRWDHBMAIMYEO-NEPJUHHUSA-N	1	3	300.403	-1.471	20	0		DAADHO
CN(C(=O)CNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)C1CC1	ZINC001420197533	926561676	/nfs/dbraw/zinc/56/16/76/926561676.db2.gz	OQOULCMJQUYRMM-CYBMUJFWSA-N	1	3	324.425	-1.230	20	0		DAADHO
C[C@H](NC[C@H](O)CNC(=O)CC[NH+]1CCCCC1)C(N)=O	ZINC001420211338	926566187	/nfs/dbraw/zinc/56/61/87/926566187.db2.gz	JTGCKWHMCHCUMN-RYUDHWBXSA-N	1	3	300.403	-1.197	20	0		DAADHO
O=C(CC[NH+]1CCCCC1)NC[C@H](O)CN[C@H]1CCNC1=O	ZINC001420220855	926567209	/nfs/dbraw/zinc/56/72/09/926567209.db2.gz	YAFSYCZFMDXZGM-OLZOCXBDSA-N	1	3	312.414	-1.182	20	0		DAADHO
CC(C)[C@@H](C(=O)N[C@H](C)CNCC(=O)NC(N)=O)[NH+](C)C	ZINC001420301933	926578867	/nfs/dbraw/zinc/57/88/67/926578867.db2.gz	WRSMAOBLBMTGDP-KOLCDFICSA-N	1	3	301.391	-1.138	20	0		DAADHO
CC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C	ZINC001420723456	926612499	/nfs/dbraw/zinc/61/24/99/926612499.db2.gz	GLUTZHVZSWYUNN-UWVGGRQHSA-N	1	3	301.391	-1.042	20	0		DAADHO
CC[C@@H](C(=O)N(CCO)CC[NH2+][C@H]1CCN(C)C1=O)N(C)C	ZINC001421634930	926736542	/nfs/dbraw/zinc/73/65/42/926736542.db2.gz	MDADSBWALIACLW-STQMWFEESA-N	1	3	314.430	-1.032	20	0		DAADHO
CNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1	ZINC001421801765	926758309	/nfs/dbraw/zinc/75/83/09/926758309.db2.gz	KRCMBHUPOSEGJO-NEPJUHHUSA-N	1	3	300.403	-1.110	20	0		DAADHO
C[C@H](CN[C@H](C)C(=O)NC(N)=O)N(C)C(=O)CC[NH+](C)C	ZINC001421936946	926774345	/nfs/dbraw/zinc/77/43/45/926774345.db2.gz	QKPXDWXBYLRCRD-NXEZZACHSA-N	1	3	301.391	-1.042	20	0		DAADHO
C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)N(C)C(=O)CC[NH+](C)C	ZINC001421936950	926774881	/nfs/dbraw/zinc/77/48/81/926774881.db2.gz	QKPXDWXBYLRCRD-UWVGGRQHSA-N	1	3	301.391	-1.042	20	0		DAADHO
C[C@H](CN[C@@H](C)C(=O)NC(N)=O)N(C)C(=O)CC[NH+](C)C	ZINC001421936957	926775227	/nfs/dbraw/zinc/77/52/27/926775227.db2.gz	QKPXDWXBYLRCRD-ZJUUUORDSA-N	1	3	301.391	-1.042	20	0		DAADHO
CN(CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O)CC(C)(C)C	ZINC001422362417	926853382	/nfs/dbraw/zinc/85/33/82/926853382.db2.gz	PEHQRMKCFPXRSZ-RYUDHWBXSA-N	1	3	314.430	-1.081	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCC(=O)N2CCCC2)C1	ZINC001422408811	926868144	/nfs/dbraw/zinc/86/81/44/926868144.db2.gz	WDGAGIZKBFCVIY-CHWSQXEVSA-N	1	3	312.414	-1.373	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCC(=O)N2CCCC2)C1	ZINC001422408811	926868156	/nfs/dbraw/zinc/86/81/56/926868156.db2.gz	WDGAGIZKBFCVIY-CHWSQXEVSA-N	1	3	312.414	-1.373	20	0		DAADHO
C[C@@H](CNCC(=O)N1CCOCC1)NC(=O)[C@H]1CC[N@H+](C)C1	ZINC001422743555	926912646	/nfs/dbraw/zinc/91/26/46/926912646.db2.gz	LRYYDFQJLHDIMV-STQMWFEESA-N	1	3	312.414	-1.109	20	0		DAADHO
C[C@@H](CNCC(=O)N1CCOCC1)NC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001422743555	926912660	/nfs/dbraw/zinc/91/26/60/926912660.db2.gz	LRYYDFQJLHDIMV-STQMWFEESA-N	1	3	312.414	-1.109	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCN1C	ZINC001423060627	926939114	/nfs/dbraw/zinc/93/91/14/926939114.db2.gz	UVOQZCXVYHLQTA-MNOVXSKESA-N	1	3	313.402	-1.027	20	0		DAADHO
CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C)N(C)C	ZINC001423447864	927054779	/nfs/dbraw/zinc/05/47/79/927054779.db2.gz	TYYVDIDWFGMXQL-VXGBXAGGSA-N	1	3	302.419	-1.176	20	0		DAADHO
CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	ZINC001423445918	927055612	/nfs/dbraw/zinc/05/56/12/927055612.db2.gz	QAMXRGDBWCFVGO-GRYCIOLGSA-N	1	3	300.403	-1.519	20	0		DAADHO
CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001423445918	927055621	/nfs/dbraw/zinc/05/56/21/927055621.db2.gz	QAMXRGDBWCFVGO-GRYCIOLGSA-N	1	3	300.403	-1.519	20	0		DAADHO
CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1	ZINC001423454919	927057768	/nfs/dbraw/zinc/05/77/68/927057768.db2.gz	NNPLFZCEVKZMIF-LBPRGKRZSA-N	1	3	314.430	-1.175	20	0		DAADHO
CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)C12CCC[NH+]1CCC2	ZINC001423455771	927058444	/nfs/dbraw/zinc/05/84/44/927058444.db2.gz	CMBRKJGBIBHEBT-QWHCGFSZSA-N	1	3	324.425	-1.088	20	0		DAADHO
CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2	ZINC001423477058	927068877	/nfs/dbraw/zinc/06/88/77/927068877.db2.gz	HVORUWCLSGWQLH-GFCCVEGCSA-N	1	3	312.414	-1.421	20	0		DAADHO
CN(C[C@@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001423478872	927070277	/nfs/dbraw/zinc/07/02/77/927070277.db2.gz	LERRGNKZFMTDDS-QWHCGFSZSA-N	1	3	324.425	-1.278	20	0		DAADHO
CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001423487765	927072596	/nfs/dbraw/zinc/07/25/96/927072596.db2.gz	UZNDJFHIVJWUSR-NEPJUHHUSA-N	1	3	300.403	-1.565	20	0		DAADHO
CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001423487765	927072611	/nfs/dbraw/zinc/07/26/11/927072611.db2.gz	UZNDJFHIVJWUSR-NEPJUHHUSA-N	1	3	300.403	-1.565	20	0		DAADHO
CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001423487771	927073893	/nfs/dbraw/zinc/07/38/93/927073893.db2.gz	UZNDJFHIVJWUSR-VXGBXAGGSA-N	1	3	300.403	-1.565	20	0		DAADHO
CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001423487771	927073905	/nfs/dbraw/zinc/07/39/05/927073905.db2.gz	UZNDJFHIVJWUSR-VXGBXAGGSA-N	1	3	300.403	-1.565	20	0		DAADHO
CC[C@@H](NCCN(CCO)C(=O)C12CC[NH+](CC1)C2)C(N)=O	ZINC001424056120	927192167	/nfs/dbraw/zinc/19/21/67/927192167.db2.gz	WSJIYBVZTKLUCZ-GFCCVEGCSA-N	1	3	312.414	-1.243	20	0		DAADHO
CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1	ZINC001424244826	927212923	/nfs/dbraw/zinc/21/29/23/927212923.db2.gz	VELAQTGKWMTCNS-QWHCGFSZSA-N	1	3	312.414	-1.109	20	0		DAADHO
CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1	ZINC001424244826	927212937	/nfs/dbraw/zinc/21/29/37/927212937.db2.gz	VELAQTGKWMTCNS-QWHCGFSZSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[C@H]([NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCN2C)CC1)C(N)=O	ZINC001424541375	927242184	/nfs/dbraw/zinc/24/21/84/927242184.db2.gz	ATLSLJVHJBKILI-RYUDHWBXSA-N	1	3	312.414	-1.103	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001425411486	927353455	/nfs/dbraw/zinc/35/34/55/927353455.db2.gz	MWLGLTKISSIKJZ-CHWSQXEVSA-N	1	3	314.430	-1.128	20	0		DAADHO
CC(C)N(C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001425411486	927353471	/nfs/dbraw/zinc/35/34/71/927353471.db2.gz	MWLGLTKISSIKJZ-CHWSQXEVSA-N	1	3	314.430	-1.128	20	0		DAADHO
CN1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1	ZINC001425771688	927438426	/nfs/dbraw/zinc/43/84/26/927438426.db2.gz	QLESMMSAUSHVEI-CHWSQXEVSA-N	1	3	312.414	-1.230	20	0		DAADHO
CNC(=O)[C@H](C)N[C@H](CO)CNC(=O)C[NH+]1CCC(C)CC1	ZINC001425819475	927462814	/nfs/dbraw/zinc/46/28/14/927462814.db2.gz	HVUIOIDQGBSNCJ-STQMWFEESA-N	1	3	314.430	-1.081	20	0		DAADHO
CN(C[C@@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)CCC[NH+](C)C	ZINC001426020776	927506847	/nfs/dbraw/zinc/50/68/47/927506847.db2.gz	DEJNUYUCZASOEK-QWHCGFSZSA-N	1	3	314.430	-1.032	20	0		DAADHO
CCN1CC[C@@H](NC[C@@H](O)CN(C)C(=O)CC[NH+](C)C)C1=O	ZINC001426025445	927507840	/nfs/dbraw/zinc/50/78/40/927507840.db2.gz	JKZYHFNLXUFCGT-CHWSQXEVSA-N	1	3	314.430	-1.032	20	0		DAADHO
CC[N@H+](C)CCC(=O)N(C)C[C@H](O)CN[C@H]1CCN(C)C1=O	ZINC001426026780	927508465	/nfs/dbraw/zinc/50/84/65/927508465.db2.gz	BYBOXGNZTVGOBV-OLZOCXBDSA-N	1	3	314.430	-1.032	20	0		DAADHO
CC[N@@H+](C)CCC(=O)N(C)C[C@H](O)CN[C@H]1CCN(C)C1=O	ZINC001426026780	927508474	/nfs/dbraw/zinc/50/84/74/927508474.db2.gz	BYBOXGNZTVGOBV-OLZOCXBDSA-N	1	3	314.430	-1.032	20	0		DAADHO
CN(C[C@@H](O)CNCC(N)=O)C(=O)COC1CC[NH+](C)CC1	ZINC001426029474	927511971	/nfs/dbraw/zinc/51/19/71/927511971.db2.gz	FXQXNZIQJWYFIJ-NSHDSACASA-N	1	3	316.402	-2.009	20	0		DAADHO
CN(C[C@H](O)CN[C@@H]1CCCNC1=O)C(=O)C12CC[NH+](CC1)C2	ZINC001426032663	927512315	/nfs/dbraw/zinc/51/23/15/927512315.db2.gz	RWHRYQSWWJLYDY-CHWSQXEVSA-N	1	3	324.425	-1.230	20	0		DAADHO
CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1	ZINC001437308658	928444029	/nfs/dbraw/zinc/44/40/29/928444029.db2.gz	GUNPGETZXPVORO-WDEREUQCSA-N	1	3	311.386	-1.286	20	0		DAADHO
C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCN(CC(N)=O)C1	ZINC001437745776	928476165	/nfs/dbraw/zinc/47/61/65/928476165.db2.gz	UXSSEPAIIFQAPC-STQMWFEESA-N	1	3	312.414	-1.122	20	0		DAADHO
CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2	ZINC001438989954	928561496	/nfs/dbraw/zinc/56/14/96/928561496.db2.gz	JLCYYVBYHWNLDR-STQMWFEESA-N	1	3	312.414	-1.517	20	0		DAADHO
CNC(=O)CNC[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1	ZINC001439009386	928572703	/nfs/dbraw/zinc/57/27/03/928572703.db2.gz	BJMGSLIYYDEITK-NSHDSACASA-N	1	3	300.403	-1.327	20	0		DAADHO
CN1CC[C@H](NC[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1=O	ZINC001439046992	928592230	/nfs/dbraw/zinc/59/22/30/928592230.db2.gz	LJLRRIVBGNAMRY-RYUDHWBXSA-N	1	3	310.398	-1.620	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCC(=O)NCC2CC2)C1	ZINC001439050580	928594374	/nfs/dbraw/zinc/59/43/74/928594374.db2.gz	ZSSCNEXVMFMJCD-STQMWFEESA-N	1	3	312.414	-1.469	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCC(=O)NCC2CC2)C1	ZINC001439050580	928594381	/nfs/dbraw/zinc/59/43/81/928594381.db2.gz	ZSSCNEXVMFMJCD-STQMWFEESA-N	1	3	312.414	-1.469	20	0		DAADHO
C[C@H]1CCN(CC(=O)N(CCO)CC[NH2+][C@H]2CCNC2=O)C1	ZINC001440207003	928706812	/nfs/dbraw/zinc/70/68/12/928706812.db2.gz	PTYCMVGJKSMIRH-STQMWFEESA-N	1	3	312.414	-1.373	20	0		DAADHO
NC(=O)NC(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001441361423	928785480	/nfs/dbraw/zinc/78/54/80/928785480.db2.gz	OPYXYEDQQPTYMG-JTQLQIEISA-N	1	3	309.370	-1.532	20	0		DAADHO
CN(CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1)C1CCC1	ZINC001441381695	928787305	/nfs/dbraw/zinc/78/73/05/928787305.db2.gz	CRESBQRBXXERGT-MGCOHNPYSA-N	1	3	311.386	-1.098	20	0		DAADHO
C[C@@H](CN(C)C(=O)c1ccn(CC[NH+](C)C)n1)NCC(N)=O	ZINC001441508203	928794976	/nfs/dbraw/zinc/79/49/76/928794976.db2.gz	GFZCKVZGLRLVEV-NSHDSACASA-N	1	3	310.402	-1.020	20	0		DAADHO
NC(=O)NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1	ZINC001441609271	928801239	/nfs/dbraw/zinc/80/12/39/928801239.db2.gz	UPYZXOZMYHUBBF-SNVBAGLBSA-N	1	3	322.369	-1.025	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)CCC[NH+](C)C	ZINC001441940295	928882756	/nfs/dbraw/zinc/88/27/56/928882756.db2.gz	LYLCQJMGUVPYOW-JTQLQIEISA-N	1	3	301.391	-1.122	20	0		DAADHO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)CC[N@@H+]1C	ZINC001441971482	928895381	/nfs/dbraw/zinc/89/53/81/928895381.db2.gz	IMOXWZLNUZHQMD-SDDRHHMPSA-N	1	3	300.403	-1.389	20	0		DAADHO
CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)CC[N@H+]1C	ZINC001441971482	928895390	/nfs/dbraw/zinc/89/53/90/928895390.db2.gz	IMOXWZLNUZHQMD-SDDRHHMPSA-N	1	3	300.403	-1.389	20	0		DAADHO
CN(C[C@@H](O)CN[C@H]1CCCN(C)C1=O)C(=O)CC[NH+](C)C	ZINC001442003336	928905654	/nfs/dbraw/zinc/90/56/54/928905654.db2.gz	WOGHJJGSLMHFHH-STQMWFEESA-N	1	3	314.430	-1.032	20	0		DAADHO
CN(C[C@@H](O)CNCC(=O)NC1CC1)C(=O)[C@H]1CC[N@H+](C)C1	ZINC001442025867	928907927	/nfs/dbraw/zinc/90/79/27/928907927.db2.gz	AZCTYZOVAULXQW-AAEUAGOBSA-N	1	3	312.414	-1.374	20	0		DAADHO
CN(C[C@@H](O)CNCC(=O)NC1CC1)C(=O)[C@H]1CC[N@@H+](C)C1	ZINC001442025867	928907934	/nfs/dbraw/zinc/90/79/34/928907934.db2.gz	AZCTYZOVAULXQW-AAEUAGOBSA-N	1	3	312.414	-1.374	20	0		DAADHO
CCCN(C)CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O	ZINC001442026538	928909915	/nfs/dbraw/zinc/90/99/15/928909915.db2.gz	UYBPDQYODFTNQF-OLZOCXBDSA-N	1	3	314.430	-1.032	20	0		DAADHO
C[C@H](NCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O	ZINC001443097109	928990884	/nfs/dbraw/zinc/99/08/84/928990884.db2.gz	HBQNWVCOPVAFBS-QWRGUYRKSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@H](NCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O	ZINC001443097109	928990898	/nfs/dbraw/zinc/99/08/98/928990898.db2.gz	HBQNWVCOPVAFBS-QWRGUYRKSA-N	1	3	313.402	-1.040	20	0		DAADHO
CC(C)[C@H](C(=O)NC[C@@H](O)CNCC(=O)N1CCC1)[NH+](C)C	ZINC001445222242	929191863	/nfs/dbraw/zinc/19/18/63/929191863.db2.gz	FXFVHRRBTSGGMI-GXTWGEPZSA-N	1	3	314.430	-1.128	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNCC(=O)NC(C)(C)C)C1	ZINC001445264883	929206943	/nfs/dbraw/zinc/20/69/43/929206943.db2.gz	GHQVEZGHDLIYMK-NWDGAFQWSA-N	1	3	314.430	-1.081	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNCC(=O)NC(C)(C)C)C1	ZINC001445264883	929206951	/nfs/dbraw/zinc/20/69/51/929206951.db2.gz	GHQVEZGHDLIYMK-NWDGAFQWSA-N	1	3	314.430	-1.081	20	0		DAADHO
CCN(C)C(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1	ZINC001445276445	929209477	/nfs/dbraw/zinc/20/94/77/929209477.db2.gz	MJADCNAVZCXCQA-CHWSQXEVSA-N	1	3	314.430	-1.127	20	0		DAADHO
CCN(C)C(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1	ZINC001445276445	929209489	/nfs/dbraw/zinc/20/94/89/929209489.db2.gz	MJADCNAVZCXCQA-CHWSQXEVSA-N	1	3	314.430	-1.127	20	0		DAADHO
C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O	ZINC001446974271	929357251	/nfs/dbraw/zinc/35/72/51/929357251.db2.gz	QQBRGKCLDMXASD-UWVGGRQHSA-N	1	3	322.369	-1.169	20	0		DAADHO
CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)CN1CC[C@H](C)C1	ZINC001447056655	929366600	/nfs/dbraw/zinc/36/66/00/929366600.db2.gz	BXLGRICHUMTOEG-STQMWFEESA-N	1	3	314.430	-1.127	20	0		DAADHO
CNC(=O)CNC[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1	ZINC001447294480	929380598	/nfs/dbraw/zinc/38/05/98/929380598.db2.gz	AHQNYOZIQPDPEH-STQMWFEESA-N	1	3	312.414	-1.109	20	0		DAADHO
CNC(=O)CNC[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1	ZINC001447294480	929380611	/nfs/dbraw/zinc/38/06/11/929380611.db2.gz	AHQNYOZIQPDPEH-STQMWFEESA-N	1	3	312.414	-1.109	20	0		DAADHO
CNC(=O)CNC[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1	ZINC001447294476	929382002	/nfs/dbraw/zinc/38/20/02/929382002.db2.gz	AHQNYOZIQPDPEH-OLZOCXBDSA-N	1	3	312.414	-1.109	20	0		DAADHO
CNC(=O)CNC[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1	ZINC001447294476	929382013	/nfs/dbraw/zinc/38/20/13/929382013.db2.gz	AHQNYOZIQPDPEH-OLZOCXBDSA-N	1	3	312.414	-1.109	20	0		DAADHO
C[C@H](CN(C)C(=O)CC[NH+](C)C)N[C@H](C)C(=O)NC(N)=O	ZINC001448726919	929467003	/nfs/dbraw/zinc/46/70/03/929467003.db2.gz	ZKAYVNJNFJLBOO-NXEZZACHSA-N	1	3	301.391	-1.042	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1	ZINC001448792735	929472309	/nfs/dbraw/zinc/47/23/09/929472309.db2.gz	VRNWIIOBBPAIOM-WDEREUQCSA-N	1	3	313.402	-1.170	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001448792735	929472314	/nfs/dbraw/zinc/47/23/14/929472314.db2.gz	VRNWIIOBBPAIOM-WDEREUQCSA-N	1	3	313.402	-1.170	20	0		DAADHO
CN(C)CCN1C[C@@H](C(=O)N2NC(=O)C[C@]23CC[NH2+]C3)CC1=O	ZINC001548578758	930031573	/nfs/dbraw/zinc/03/15/73/930031573.db2.gz	MDALBMITDYEIOC-NHYWBVRUSA-N	1	3	323.397	-1.608	20	0		DAADHO
NCc1cn([C@H]2CCCN(C(=O)CN3CC[NH2+]CC3)C2)nn1	ZINC001550063243	930060763	/nfs/dbraw/zinc/06/07/63/930060763.db2.gz	LLXOOBKTUNJFLM-ZDUSSCGKSA-N	1	3	307.402	-1.195	20	0		DAADHO
NCc1cn([C@@H]2CCN(C(=O)[C@@]34C[NH2+]C[C@H]3COC4)C2)nn1	ZINC001550096604	930062165	/nfs/dbraw/zinc/06/21/65/930062165.db2.gz	NDWBYGZNHZNQPS-ZKYQVNSYSA-N	1	3	306.370	-1.254	20	0		DAADHO
CCN1CCCC[C@@H]1CNC(=O)C(=O)N(CC[NH3+])CCO	ZINC000419579901	545769303	/nfs/dbraw/zinc/76/93/03/545769303.db2.gz	GYKOYXRSPKJZSH-GFCCVEGCSA-N	1	3	300.403	-1.243	20	0		DAADHO
COCCN(CCN(C)C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1	ZINC000423744867	545774906	/nfs/dbraw/zinc/77/49/06/545774906.db2.gz	OSRIVCZMAAQUCO-LBPRGKRZSA-N	1	3	300.403	-1.109	20	0		DAADHO
CN(C)CCOCCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1	ZINC000642809420	372834114	/nfs/dbraw/zinc/83/41/14/372834114.db2.gz	QHQBQEBUSOLTBF-GFCCVEGCSA-N	1	3	300.403	-1.061	20	0		DAADHO
CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@H](CN)C1	ZINC000575160351	372921900	/nfs/dbraw/zinc/92/19/00/372921900.db2.gz	YLCFABZJAGJQRX-MGPQQGTHSA-N	1	3	323.441	-1.169	20	0		DAADHO
CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@H](CN)C1	ZINC000575160351	372921906	/nfs/dbraw/zinc/92/19/06/372921906.db2.gz	YLCFABZJAGJQRX-MGPQQGTHSA-N	1	3	323.441	-1.169	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CCC(N)=O	ZINC000580046358	372922599	/nfs/dbraw/zinc/92/25/99/372922599.db2.gz	KHIRIXDHAJJLLJ-UHFFFAOYSA-N	1	3	315.418	-1.728	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)CN1CCOCC1=O	ZINC000580143246	372925987	/nfs/dbraw/zinc/92/59/87/372925987.db2.gz	UMHNVUZTCNUHSX-UHFFFAOYSA-N	1	3	300.403	-1.203	20	0		DAADHO
C[NH+](C)CCCS(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1	ZINC000601343416	372941830	/nfs/dbraw/zinc/94/18/30/372941830.db2.gz	NMMHPXBXFBYEIT-QWRGUYRKSA-N	1	3	304.416	-1.488	20	0		DAADHO
N[C@@H]1C[C@@H]2CN(C(=O)CN3CCCC[C@@H]([NH3+])C3=O)CCN2C1=O	ZINC000594878117	372994082	/nfs/dbraw/zinc/99/40/82/372994082.db2.gz	NCSQZFQBUVHXEP-IJLUTSLNSA-N	1	3	323.397	-1.903	20	0		DAADHO
COC(=O)CC[C@H](N)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C	ZINC000595969133	373005975	/nfs/dbraw/zinc/00/59/75/373005975.db2.gz	BIBGMNXEIYUSFC-NSHDSACASA-N	1	3	316.402	-1.255	20	0		DAADHO
COC[C@]1(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCCC[NH2+]1	ZINC000602528637	373062591	/nfs/dbraw/zinc/06/25/91/373062591.db2.gz	SEVFLMYRLAJAFU-JMSVASOKSA-N	1	3	310.398	-1.085	20	0		DAADHO
N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CCN2C1=O	ZINC000602531994	373063944	/nfs/dbraw/zinc/06/39/44/373063944.db2.gz	YZADKSNDTOFVJF-LOWDOPEQSA-N	1	3	308.382	-1.380	20	0		DAADHO
N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CCN2C1=O	ZINC000602531994	373063950	/nfs/dbraw/zinc/06/39/50/373063950.db2.gz	YZADKSNDTOFVJF-LOWDOPEQSA-N	1	3	308.382	-1.380	20	0		DAADHO
C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1	ZINC000627380729	373072294	/nfs/dbraw/zinc/07/22/94/373072294.db2.gz	XFSXTCWRQKFEEM-CYBMUJFWSA-N	1	3	312.414	-1.061	20	0		DAADHO
COCCN1CC[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1	ZINC000263254980	373144644	/nfs/dbraw/zinc/14/46/44/373144644.db2.gz	QKBUVBMFDGUJEJ-AAEUAGOBSA-N	1	3	300.403	-1.077	20	0		DAADHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cn1ncn(C)c1=O	ZINC000617506500	373264289	/nfs/dbraw/zinc/26/42/89/373264289.db2.gz	PVAQUFAENZIGFS-LBPRGKRZSA-N	1	3	312.418	-1.030	20	0		DAADHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cn1ncn(C)c1=O	ZINC000617506500	373264295	/nfs/dbraw/zinc/26/42/95/373264295.db2.gz	PVAQUFAENZIGFS-LBPRGKRZSA-N	1	3	312.418	-1.030	20	0		DAADHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](CO)NC(N)=O	ZINC000617506287	373264324	/nfs/dbraw/zinc/26/43/24/373264324.db2.gz	IWLCTWJHGDTREW-QWRGUYRKSA-N	1	3	303.407	-1.596	20	0		DAADHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](CO)NC(N)=O	ZINC000617506287	373264332	/nfs/dbraw/zinc/26/43/32/373264332.db2.gz	IWLCTWJHGDTREW-QWRGUYRKSA-N	1	3	303.407	-1.596	20	0		DAADHO
CCS(=O)(=O)NCC(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000535724100	373269391	/nfs/dbraw/zinc/26/93/91/373269391.db2.gz	AMJOUTVWROMCDY-UHFFFAOYSA-N	1	3	308.448	-1.123	20	0		DAADHO
CC1CCN(CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1	ZINC000419407555	373321334	/nfs/dbraw/zinc/32/13/34/373321334.db2.gz	KKIHALUWNRFUAA-ZDUSSCGKSA-N	1	3	312.414	-1.061	20	0		DAADHO
C[C@H](NC(=O)C(=O)N(CCN)CCO)C(C)(C)C[NH+](C)C	ZINC000419537228	373321513	/nfs/dbraw/zinc/32/15/13/373321513.db2.gz	CNRIFUMEKCSCDQ-NSHDSACASA-N	1	3	302.419	-1.142	20	0		DAADHO
CC(C)Nc1nc(NCCO)nc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)n1	ZINC000420253380	373322736	/nfs/dbraw/zinc/32/27/36/373322736.db2.gz	DLRNCFSPSYSABA-NWDGAFQWSA-N	1	3	321.429	-1.014	20	0		DAADHO
CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1CNCCO1	ZINC000419756687	373323317	/nfs/dbraw/zinc/32/33/17/373323317.db2.gz	BFYZWUHOLJEHNZ-GFCCVEGCSA-N	1	3	300.403	-1.061	20	0		DAADHO
CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]1CNCCO1	ZINC000419756687	373323328	/nfs/dbraw/zinc/32/33/28/373323328.db2.gz	BFYZWUHOLJEHNZ-GFCCVEGCSA-N	1	3	300.403	-1.061	20	0		DAADHO
CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1	ZINC000565727017	373520496	/nfs/dbraw/zinc/52/04/96/373520496.db2.gz	AFTPOZBDRIIXEF-UTUOFQBUSA-N	1	3	310.402	-2.157	20	0		DAADHO
CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1	ZINC000565727011	373521005	/nfs/dbraw/zinc/52/10/05/373521005.db2.gz	AFTPOZBDRIIXEF-IJLUTSLNSA-N	1	3	310.402	-2.157	20	0		DAADHO
CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1	ZINC000565727015	373522281	/nfs/dbraw/zinc/52/22/81/373522281.db2.gz	AFTPOZBDRIIXEF-QJPTWQEYSA-N	1	3	310.402	-2.157	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCNC(=O)C1	ZINC000566842052	373530654	/nfs/dbraw/zinc/53/06/54/373530654.db2.gz	LYRHACXNEQBVDH-UHFFFAOYSA-N	1	3	313.402	-2.103	20	0		DAADHO
C[NH+](C)CCOCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1	ZINC000578788030	373587457	/nfs/dbraw/zinc/58/74/57/373587457.db2.gz	ILNOSQQRKMXDHV-NWDGAFQWSA-N	1	3	313.402	-1.482	20	0		DAADHO
CN(C)CCN1C[C@H](C(=O)NC[C@H]2C[NH2+]CCCO2)CC1=O	ZINC000567982292	373539666	/nfs/dbraw/zinc/53/96/66/373539666.db2.gz	UKMVEHSCFGKVBR-CHWSQXEVSA-N	1	3	312.414	-1.109	20	0		DAADHO
COCCCN(C)CCNC(=O)C(=O)NC[C@@H]1COCCN1	ZINC000627361356	373671511	/nfs/dbraw/zinc/67/15/11/373671511.db2.gz	MKBMBLUZLKMYHX-GFCCVEGCSA-N	1	3	316.402	-1.825	20	0		DAADHO
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(CCN(C)C)CCN(C)C	ZINC000627498946	373686149	/nfs/dbraw/zinc/68/61/49/373686149.db2.gz	SEDAFOMDIUOTAH-QWHCGFSZSA-N	1	3	313.446	-1.195	20	0		DAADHO
COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C	ZINC000627499235	373686781	/nfs/dbraw/zinc/68/67/81/373686781.db2.gz	DOMYRLUMKHYWHQ-NWDGAFQWSA-N	1	3	300.403	-1.110	20	0		DAADHO
CN1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)C1	ZINC000627504371	373688291	/nfs/dbraw/zinc/68/82/91/373688291.db2.gz	KTYJMACHAKPSNA-ZIAGYGMSSA-N	1	3	323.441	-1.297	20	0		DAADHO
CN(C)CCN(CC(=O)N(C)C)C(=O)CCOC1C[NH2+]C1	ZINC000659357945	545792041	/nfs/dbraw/zinc/79/20/41/545792041.db2.gz	DHAOEOPYMUMOLS-UHFFFAOYSA-N	1	3	300.403	-1.157	20	0		DAADHO
C[NH+](C)CCN1C[C@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O	ZINC000655297540	409329236	/nfs/dbraw/zinc/32/92/36/409329236.db2.gz	LNPOBDPWXNYNEY-HZSPNIEDSA-N	1	3	324.425	-1.326	20	0		DAADHO
C[C@H](CN1CCN(C)CC1)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1	ZINC000636746318	409386339	/nfs/dbraw/zinc/38/63/39/409386339.db2.gz	GPNRJIZTIWPAGC-ZIAGYGMSSA-N	1	3	313.446	-1.012	20	0		DAADHO
C[C@H](CN1CCN(C)CC1)NC(=O)NCC[N@H+]1CC[C@@H](O)C1	ZINC000636746318	409386343	/nfs/dbraw/zinc/38/63/43/409386343.db2.gz	GPNRJIZTIWPAGC-ZIAGYGMSSA-N	1	3	313.446	-1.012	20	0		DAADHO
Cn1cc([C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)C[C@H]2N)cn1	ZINC000653166379	409337945	/nfs/dbraw/zinc/33/79/45/409337945.db2.gz	FMHVEABBWJKKIX-XPCVCDNBSA-N	1	3	305.382	-1.091	20	0		DAADHO
CCCN1CC[C@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1	ZINC000659738185	409534902	/nfs/dbraw/zinc/53/49/02/409534902.db2.gz	BEQLPUSKJBSGLM-STQMWFEESA-N	1	3	311.430	-1.312	20	0		DAADHO
COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1	ZINC000423260877	409547752	/nfs/dbraw/zinc/54/77/52/409547752.db2.gz	IOJBXROJJVELRK-GFCCVEGCSA-N	1	3	300.403	-1.027	20	0		DAADHO
CN(C)CCN(C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1	ZINC000424545260	409551170	/nfs/dbraw/zinc/55/11/70/409551170.db2.gz	LODBQKAZVIJMTL-QWHCGFSZSA-N	1	3	322.413	-1.307	20	0		DAADHO
C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CCO1	ZINC000649274889	409653781	/nfs/dbraw/zinc/65/37/81/409653781.db2.gz	ZEPXENDVACGBQY-RWMBFGLXSA-N	1	3	312.414	-1.029	20	0		DAADHO
COCC[N@H+](C)C[C@@H](O)CN1CCN(C)C[C@H](C(=O)OC)C1	ZINC000568998309	409658435	/nfs/dbraw/zinc/65/84/35/409658435.db2.gz	TYTKNJPQSYOEHY-UONOGXRCSA-N	1	3	317.430	-1.038	20	0		DAADHO
COCC[N@@H+](C)C[C@@H](O)CN1CCN(C)C[C@H](C(=O)OC)C1	ZINC000568998309	409658446	/nfs/dbraw/zinc/65/84/46/409658446.db2.gz	TYTKNJPQSYOEHY-UONOGXRCSA-N	1	3	317.430	-1.038	20	0		DAADHO
CN(CCN)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1	ZINC000662960086	409722574	/nfs/dbraw/zinc/72/25/74/409722574.db2.gz	MADKOGMGBCDEMW-LBPRGKRZSA-N	1	3	300.403	-1.027	20	0		DAADHO
C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)N(C)C	ZINC000448491210	409745321	/nfs/dbraw/zinc/74/53/21/409745321.db2.gz	SWDFORANBHRHRG-LLVKDONJSA-N	1	3	310.402	-0.551	20	0		DAADHO
CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H](N)CC[NH+](C)C	ZINC000662872862	409717892	/nfs/dbraw/zinc/71/78/92/409717892.db2.gz	DVCQWCPXHAWYDL-GFCCVEGCSA-N	1	3	301.435	-1.256	20	0		DAADHO
C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1	ZINC000419417086	263226149	/nfs/dbraw/zinc/22/61/49/263226149.db2.gz	WPGYYAVIWRZSKK-OLZOCXBDSA-N	1	3	312.414	-1.061	20	0		DAADHO
CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CNCCO1	ZINC000419288677	263256277	/nfs/dbraw/zinc/25/62/77/263256277.db2.gz	RVGSYGWZEKDSMF-GFCCVEGCSA-N	1	3	300.403	-1.061	20	0		DAADHO
CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CNCCO1	ZINC000419288677	263256278	/nfs/dbraw/zinc/25/62/78/263256278.db2.gz	RVGSYGWZEKDSMF-GFCCVEGCSA-N	1	3	300.403	-1.061	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)CN1CCC(=O)NC1=O	ZINC000530880629	263268943	/nfs/dbraw/zinc/26/89/43/263268943.db2.gz	HFCFFLZIBXILCN-UHFFFAOYSA-N	1	3	313.402	-1.120	20	0		DAADHO
CN(C)CCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1	ZINC000515048637	263273994	/nfs/dbraw/zinc/27/39/94/263273994.db2.gz	LKLSDZGCLCUYQS-ZDUSSCGKSA-N	1	3	313.446	-1.194	20	0		DAADHO
CN(CCOCCN(C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@@H]1O	ZINC000352798056	263282283	/nfs/dbraw/zinc/28/22/83/263282283.db2.gz	XCKIXSRNFPTLRU-SYQHCUMBSA-N	1	3	304.387	-1.614	20	0		DAADHO
CN(CCOCC[N@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@@H]1O	ZINC000352798056	263282285	/nfs/dbraw/zinc/28/22/85/263282285.db2.gz	XCKIXSRNFPTLRU-SYQHCUMBSA-N	1	3	304.387	-1.614	20	0		DAADHO
CN(CCOCC[N@@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@@H]1O	ZINC000352798056	263282287	/nfs/dbraw/zinc/28/22/87/263282287.db2.gz	XCKIXSRNFPTLRU-SYQHCUMBSA-N	1	3	304.387	-1.614	20	0		DAADHO
CN(CCOCC[N@H+](C)[C@@H]1COC[C@@H]1O)[C@@H]1COC[C@H]1O	ZINC000352798056	263282290	/nfs/dbraw/zinc/28/22/90/263282290.db2.gz	XCKIXSRNFPTLRU-SYQHCUMBSA-N	1	3	304.387	-1.614	20	0		DAADHO
CN(CCOCC[N@@H+](C)[C@@H]1COC[C@@H]1O)[C@@H]1COC[C@H]1O	ZINC000352798056	263282291	/nfs/dbraw/zinc/28/22/91/263282291.db2.gz	XCKIXSRNFPTLRU-SYQHCUMBSA-N	1	3	304.387	-1.614	20	0		DAADHO
COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1	ZINC000423260657	263288407	/nfs/dbraw/zinc/28/84/07/263288407.db2.gz	HWPXESSNKVRZJE-VXGBXAGGSA-N	1	3	300.403	-1.171	20	0		DAADHO
CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1	ZINC000357930949	263308166	/nfs/dbraw/zinc/30/81/66/263308166.db2.gz	WCFORBFNTCSUGC-AGIUHOORSA-N	1	3	312.414	-1.232	20	0		DAADHO
CN(CCOCC[N@H+](C)[C@H]1COC[C@@H]1O)[C@@H]1COC[C@@H]1O	ZINC000352798044	263325655	/nfs/dbraw/zinc/32/56/55/263325655.db2.gz	XCKIXSRNFPTLRU-CRWXNKLISA-N	1	3	304.387	-1.614	20	0		DAADHO
CN(CCOCC[N@@H+](C)[C@H]1COC[C@@H]1O)[C@@H]1COC[C@@H]1O	ZINC000352798044	263325656	/nfs/dbraw/zinc/32/56/56/263325656.db2.gz	XCKIXSRNFPTLRU-CRWXNKLISA-N	1	3	304.387	-1.614	20	0		DAADHO
CN(CCOCC[N@H+](C)[C@@H]1COC[C@@H]1O)[C@H]1COC[C@@H]1O	ZINC000352798044	263325657	/nfs/dbraw/zinc/32/56/57/263325657.db2.gz	XCKIXSRNFPTLRU-CRWXNKLISA-N	1	3	304.387	-1.614	20	0		DAADHO
CN(CCOCC[N@@H+](C)[C@@H]1COC[C@@H]1O)[C@H]1COC[C@@H]1O	ZINC000352798044	263325658	/nfs/dbraw/zinc/32/56/58/263325658.db2.gz	XCKIXSRNFPTLRU-CRWXNKLISA-N	1	3	304.387	-1.614	20	0		DAADHO
CN1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)[C@H](CN)C1	ZINC000569359815	332049282	/nfs/dbraw/zinc/04/92/82/332049282.db2.gz	ROIWKOPMTDKORA-VXGBXAGGSA-N	1	3	307.402	-1.255	20	0		DAADHO
CN1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)[C@@H](CN)C1	ZINC000569359814	332049292	/nfs/dbraw/zinc/04/92/92/332049292.db2.gz	ROIWKOPMTDKORA-RYUDHWBXSA-N	1	3	307.402	-1.255	20	0		DAADHO
CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1	ZINC000567223383	336356660	/nfs/dbraw/zinc/35/66/60/336356660.db2.gz	XCOJGWHMABYPBQ-CYBMUJFWSA-N	1	3	313.446	-1.194	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C)CC1	ZINC000582287117	336885866	/nfs/dbraw/zinc/88/58/66/336885866.db2.gz	PTDZSJRHHSQJSZ-UHFFFAOYSA-N	1	3	313.446	-1.288	20	0		DAADHO
CN(C)CCN1C[C@@H](C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1=O	ZINC000576282784	341838101	/nfs/dbraw/zinc/83/81/01/341838101.db2.gz	SSLRYZOSLIGTSG-STQMWFEESA-N	1	3	312.414	-1.027	20	0		DAADHO
COCCn1cc(C(=O)N(CCCC[NH3+])C(=N)N)cnc1=O	ZINC001197713983	782140294	/nfs/dbraw/zinc/14/02/94/782140294.db2.gz	PXMNFYQVGLTOJU-UHFFFAOYSA-N	1	3	310.358	-1.036	20	0		DAADHO
CC(C)N(C)CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O	ZINC001152433217	782153840	/nfs/dbraw/zinc/15/38/40/782153840.db2.gz	YAMNYKJGIGYTOY-UHFFFAOYSA-N	1	3	313.402	-1.026	20	0		DAADHO
CN(CCN(C)C1CC1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+]	ZINC000517731288	545646626	/nfs/dbraw/zinc/64/66/26/545646626.db2.gz	VDMCHXBXNWYFSU-CYBMUJFWSA-N	1	3	311.430	-1.360	20	0		DAADHO
COCCCN(C)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1	ZINC000351556835	545723287	/nfs/dbraw/zinc/72/32/87/545723287.db2.gz	HPBPVHCQLVKUQF-LBPRGKRZSA-N	1	3	300.403	-1.061	20	0		DAADHO
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000331577064	545726821	/nfs/dbraw/zinc/72/68/21/545726821.db2.gz	WHRIIWKOMQPMNU-ZIAGYGMSSA-N	1	3	323.441	-1.297	20	0		DAADHO
CN(C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1)[C@H]1C[NH2+]C[C@@H]1O	ZINC000419694322	545766971	/nfs/dbraw/zinc/76/69/71/545766971.db2.gz	KOGNFJUROAWGFN-UBHSHLNASA-N	1	3	324.425	-1.089	20	0		DAADHO
C[C@@H]1CCCN(CCNC(=O)C(=O)N(CC[NH3+])CCO)C1	ZINC000419418234	545767247	/nfs/dbraw/zinc/76/72/47/545767247.db2.gz	YAOLIHDNRYPSFS-GFCCVEGCSA-N	1	3	300.403	-1.386	20	0		DAADHO
CCN(CC)CC(=O)N1CCN(C(=O)COCC[NH3+])CC1	ZINC000645930153	545786441	/nfs/dbraw/zinc/78/64/41/545786441.db2.gz	IYXOXGDSPFUGCU-UHFFFAOYSA-N	1	3	300.403	-1.026	20	0		DAADHO
CN(C)CCn1ccc(NC(=O)C(=O)NCCC[NH+](C)C)n1	ZINC000448535486	545846277	/nfs/dbraw/zinc/84/62/77/545846277.db2.gz	USBJZQYGKOIAQV-UHFFFAOYSA-N	1	3	310.402	-0.549	20	0		DAADHO
CN1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1	ZINC001199787905	782186486	/nfs/dbraw/zinc/18/64/86/782186486.db2.gz	HOIBNDUUKLHBPC-NSHDSACASA-N	1	3	311.386	-1.144	20	0		DAADHO
C[NH+](C)CCn1cc(C(=O)N2CC[C@@H](NCC(N)=O)C2)cn1	ZINC000970230541	662354449	/nfs/dbraw/zinc/35/44/49/662354449.db2.gz	BQMJUZRHHWVCPL-GFCCVEGCSA-N	1	3	308.386	-1.266	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)N3CCOCC3)C2)C1	ZINC000970712794	662368596	/nfs/dbraw/zinc/36/85/96/662368596.db2.gz	SHCRPFZIAVCKRL-ZIAGYGMSSA-N	1	3	324.425	-1.013	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)N3CCOCC3)C2)C1	ZINC000970712794	662368598	/nfs/dbraw/zinc/36/85/98/662368598.db2.gz	SHCRPFZIAVCKRL-ZIAGYGMSSA-N	1	3	324.425	-1.013	20	0		DAADHO
C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1)C(N)=O	ZINC001022451455	662392789	/nfs/dbraw/zinc/39/27/89/662392789.db2.gz	ACHZSXJSKYTNGU-MRPGRKOTSA-N	1	3	322.409	-1.040	20	0		DAADHO
CN(C)CC(=O)N1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1	ZINC000895628688	662704397	/nfs/dbraw/zinc/70/43/97/662704397.db2.gz	DUEIIAFMFMQHIG-CQSZACIVSA-N	1	3	324.425	-1.061	20	0		DAADHO
CN(C)CC(=O)N1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1	ZINC000895628687	662704446	/nfs/dbraw/zinc/70/44/46/662704446.db2.gz	DUEIIAFMFMQHIG-AWEZNQCLSA-N	1	3	324.425	-1.061	20	0		DAADHO
[NH3+]CCNC(=O)[C@@H]1CCCN(CCN2CCCS2(=O)=O)C1	ZINC000903713239	662790159	/nfs/dbraw/zinc/79/01/59/662790159.db2.gz	JEPPHIPVNSCITH-GFCCVEGCSA-N	1	3	318.443	-1.191	20	0		DAADHO
CN1CC[N@H+](C)CC(C(=O)NC[C@@H]2CN3CCN2CCC3)C1	ZINC000908029556	662799162	/nfs/dbraw/zinc/79/91/62/662799162.db2.gz	UCTOPVSESLDAJC-OAHLLOKOSA-N	1	3	309.458	-1.014	20	0		DAADHO
CN1CC[N@@H+](C)CC(C(=O)NC[C@@H]2CN3CCN2CCC3)C1	ZINC000908029556	662799164	/nfs/dbraw/zinc/79/91/64/662799164.db2.gz	UCTOPVSESLDAJC-OAHLLOKOSA-N	1	3	309.458	-1.014	20	0		DAADHO
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1	ZINC000911148681	663137280	/nfs/dbraw/zinc/13/72/80/663137280.db2.gz	ZSIBYFUOAUOQIB-PVXIVEMSSA-N	1	3	324.425	-1.103	20	0		DAADHO
C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C[C@H]1[NH3+]	ZINC000911147005	663137338	/nfs/dbraw/zinc/13/73/38/663137338.db2.gz	DQNWNVKABWAZLI-FDYHWXHSSA-N	1	3	310.398	-1.229	20	0		DAADHO
O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2	ZINC000911147812	663137352	/nfs/dbraw/zinc/13/73/52/663137352.db2.gz	JQZFDONIBOBSID-ODXJTPSBSA-N	1	3	322.409	-1.025	20	0		DAADHO
[NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1	ZINC000911148937	663137650	/nfs/dbraw/zinc/13/76/50/663137650.db2.gz	SYSUEHMUCAEKTH-YNEHKIRRSA-N	1	3	310.398	-1.085	20	0		DAADHO
C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1	ZINC000911147444	663137787	/nfs/dbraw/zinc/13/77/87/663137787.db2.gz	HTJAZGNVYIGXSZ-FDYHWXHSSA-N	1	3	310.398	-1.310	20	0		DAADHO
C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C[C@H]1[NH3+]	ZINC000911147010	663137844	/nfs/dbraw/zinc/13/78/44/663137844.db2.gz	DQNWNVKABWAZLI-MROQNXINSA-N	1	3	310.398	-1.229	20	0		DAADHO
C[NH+](C)CCOCCNC(=O)C(=O)N1CCNCCNCC1	ZINC000911256860	663141182	/nfs/dbraw/zinc/14/11/82/663141182.db2.gz	CBBMLZYKMKOAEK-UHFFFAOYSA-N	1	3	315.418	-2.298	20	0		DAADHO
CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1	ZINC000911337782	663142216	/nfs/dbraw/zinc/14/22/16/663142216.db2.gz	WHHIQJKLUGQPPY-IUODEOHRSA-N	1	3	312.414	-1.101	20	0		DAADHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CNOC1	ZINC000911471725	663146619	/nfs/dbraw/zinc/14/66/19/663146619.db2.gz	YDSLDOYKEAJURU-NSHDSACASA-N	1	3	301.391	-2.042	20	0		DAADHO
NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000996823017	663494023	/nfs/dbraw/zinc/49/40/23/663494023.db2.gz	SXEPUHLZTQWCPA-ULKWEWGCSA-N	1	3	322.409	-1.085	20	0		DAADHO
NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1	ZINC000999765538	663563625	/nfs/dbraw/zinc/56/36/25/663563625.db2.gz	PAFCVKBOPNRTMO-WULFKBJJSA-N	1	3	322.409	-1.085	20	0		DAADHO
CN1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1	ZINC000946918725	663698762	/nfs/dbraw/zinc/69/87/62/663698762.db2.gz	PXYPOZOLUMZDQY-STQMWFEESA-N	1	3	324.425	-1.088	20	0		DAADHO
[NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12	ZINC000848616665	663892425	/nfs/dbraw/zinc/89/24/25/663892425.db2.gz	QMTWJYNQSXWVJJ-QWHCGFSZSA-N	1	3	312.414	-1.101	20	0		DAADHO
[NH3+]CC12CC(C1)CN2C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1	ZINC000851685810	663896403	/nfs/dbraw/zinc/89/64/03/663896403.db2.gz	WFHMPKAPXHIJLX-LGESCRJUSA-N	1	3	322.409	-1.085	20	0		DAADHO
C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)C3CNC3)CC2)C1	ZINC000923614230	663935551	/nfs/dbraw/zinc/93/55/51/663935551.db2.gz	PCCZNACXJBNDIS-GFCCVEGCSA-N	1	3	302.444	-1.000	20	0		DAADHO
C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)C3CNC3)CC2)C1	ZINC000923614230	663935555	/nfs/dbraw/zinc/93/55/55/663935555.db2.gz	PCCZNACXJBNDIS-GFCCVEGCSA-N	1	3	302.444	-1.000	20	0		DAADHO
O=C1COC[C@]2(C[NH2+]C[C@H](O)CN3CCCC3)COCCN12	ZINC000872232823	663939521	/nfs/dbraw/zinc/93/95/21/663939521.db2.gz	HNLMBQUAOAKXEZ-ZFWWWQNUSA-N	1	3	313.398	-1.340	20	0		DAADHO
CN(C)C[C@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000876841321	663948595	/nfs/dbraw/zinc/94/85/95/663948595.db2.gz	OVZZTCZEBGGQDA-UWVGGRQHSA-N	1	3	311.352	-1.172	20	0		DAADHO
COCCC1(NS(=O)(=O)N2CCNCC2)CC[NH2+]CC1	ZINC000923670599	663951609	/nfs/dbraw/zinc/95/16/09/663951609.db2.gz	AOMPWFOLPISIAU-UHFFFAOYSA-N	1	3	306.432	-1.115	20	0		DAADHO
O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2	ZINC000884560357	663964655	/nfs/dbraw/zinc/96/46/55/663964655.db2.gz	VOTVVUSGUCXIBE-ZDEQEGDKSA-N	1	3	308.382	-1.462	20	0		DAADHO
[NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1	ZINC000884560240	663964845	/nfs/dbraw/zinc/96/48/45/663964845.db2.gz	RLRTZOUCWCMZRV-JHJVBQTASA-N	1	3	310.398	-1.085	20	0		DAADHO
[NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1	ZINC000884560238	663965043	/nfs/dbraw/zinc/96/50/43/663965043.db2.gz	RLRTZOUCWCMZRV-AGIUHOORSA-N	1	3	310.398	-1.085	20	0		DAADHO
[NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)C1	ZINC000926336645	663982151	/nfs/dbraw/zinc/98/21/51/663982151.db2.gz	ZBAGJSKSKKDDTK-WFASDCNBSA-N	1	3	310.398	-1.395	20	0		DAADHO
CN(C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CCO1	ZINC000926335847	663982174	/nfs/dbraw/zinc/98/21/74/663982174.db2.gz	VFEHUCAYMIHIJO-CHWSQXEVSA-N	1	3	312.414	-1.027	20	0		DAADHO
CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1	ZINC000926382269	663983216	/nfs/dbraw/zinc/98/32/16/663983216.db2.gz	IVKCKOCHUXHUIY-IUODEOHRSA-N	1	3	312.414	-1.149	20	0		DAADHO
CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1	ZINC000926358581	663983253	/nfs/dbraw/zinc/98/32/53/663983253.db2.gz	BCALFPQYCUINGC-OAHLLOKOSA-N	1	3	312.414	-1.149	20	0		DAADHO
O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@H]1CN2CC3CC2(C3)CO1	ZINC000961286844	664336662	/nfs/dbraw/zinc/33/66/62/664336662.db2.gz	ZKJXZIBCKVXQBE-CCTQGRIMSA-N	1	3	307.394	-1.112	20	0		DAADHO
O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@H]1CN2CC3CC2(C3)CO1	ZINC000961286844	664336663	/nfs/dbraw/zinc/33/66/63/664336663.db2.gz	ZKJXZIBCKVXQBE-CCTQGRIMSA-N	1	3	307.394	-1.112	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2O)C1	ZINC000963383754	664390216	/nfs/dbraw/zinc/39/02/16/664390216.db2.gz	VAGCODKMMGWTPL-UHTWSYAYSA-N	1	3	321.381	-1.408	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2O)C1	ZINC000963383754	664390218	/nfs/dbraw/zinc/39/02/18/664390218.db2.gz	VAGCODKMMGWTPL-UHTWSYAYSA-N	1	3	321.381	-1.408	20	0		DAADHO
CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1	ZINC001018630927	664588318	/nfs/dbraw/zinc/58/83/18/664588318.db2.gz	BPIPXDXNGMIYAV-NWDGAFQWSA-N	1	3	323.397	-1.177	20	0		DAADHO
CCCC[N@H+](C)CCNC(=O)C(=O)N1CCNCCNCC1	ZINC000911137293	677815526	/nfs/dbraw/zinc/81/55/26/677815526.db2.gz	CMQUXEZNJZCQKW-UHFFFAOYSA-N	1	3	313.446	-1.144	20	0		DAADHO
CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCNCCNCC1	ZINC000911137293	677815529	/nfs/dbraw/zinc/81/55/29/677815529.db2.gz	CMQUXEZNJZCQKW-UHFFFAOYSA-N	1	3	313.446	-1.144	20	0		DAADHO
C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1O	ZINC001081733880	678103134	/nfs/dbraw/zinc/10/31/34/678103134.db2.gz	ZXVVWDTUVAEQQE-WCQYABFASA-N	1	3	323.397	-1.161	20	0		DAADHO
C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@H]1CN2CC3CC2(C3)CO1	ZINC001074755609	678203964	/nfs/dbraw/zinc/20/39/64/678203964.db2.gz	NQFQDXQREJTLGX-IJEQHQFKSA-N	1	3	322.409	-1.086	20	0		DAADHO
C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)Cc2c[nH]cn2)C1	ZINC001040800591	678256964	/nfs/dbraw/zinc/25/69/64/678256964.db2.gz	HQTOQWDOBPMMBD-OAHLLOKOSA-N	1	3	323.397	-1.017	20	0		DAADHO
CCCN(C)CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1	ZINC001044298909	678419606	/nfs/dbraw/zinc/41/96/06/678419606.db2.gz	ROGRPCITJPUQFA-UHFFFAOYSA-N	1	3	314.430	-1.031	20	0		DAADHO
Cc1[nH]cnc1CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1	ZINC001044323805	678420170	/nfs/dbraw/zinc/42/01/70/678420170.db2.gz	VAFQJXXAKTWZQS-UHFFFAOYSA-N	1	3	323.397	-1.098	20	0		DAADHO
C[C@H](CN1CCOCC1)C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1	ZINC001049215626	678578281	/nfs/dbraw/zinc/57/82/81/678578281.db2.gz	GRMPQBONULPPFL-MCIONIFRSA-N	1	3	324.425	-1.170	20	0		DAADHO
C[C@H](CN1CCOCC1)C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1	ZINC001049215626	678578282	/nfs/dbraw/zinc/57/82/82/678578282.db2.gz	GRMPQBONULPPFL-MCIONIFRSA-N	1	3	324.425	-1.170	20	0		DAADHO
NC(=O)CNC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1	ZINC001201870925	782223824	/nfs/dbraw/zinc/22/38/24/782223824.db2.gz	DUJBEIAHHYOLMS-GFCCVEGCSA-N	1	3	310.398	-1.225	20	0		DAADHO
C[NH+](C)CCOCC(=O)N1CCCO[C@@H](CNCC(N)=O)C1	ZINC001201864690	782222571	/nfs/dbraw/zinc/22/25/71/782222571.db2.gz	ZKINCGNBHUFXGZ-LBPRGKRZSA-N	1	3	316.402	-1.743	20	0		DAADHO
COC[C@@H](O)CN1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2	ZINC001274644038	782288648	/nfs/dbraw/zinc/28/86/48/782288648.db2.gz	YQBZNIRFWQQTKO-DZGCQCFKSA-N	1	3	315.414	-1.141	20	0		DAADHO
C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21	ZINC001114778308	782378068	/nfs/dbraw/zinc/37/80/68/782378068.db2.gz	IKSJWNARKHNREF-DEKYYXRVSA-N	1	3	308.382	-1.210	20	0		DAADHO
COCCN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1	ZINC001100074413	782544234	/nfs/dbraw/zinc/54/42/34/782544234.db2.gz	NDEFUIOLXJOUNM-QWHCGFSZSA-N	1	3	303.403	-1.238	20	0		DAADHO
COCCN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1	ZINC001100074414	782544457	/nfs/dbraw/zinc/54/44/57/782544457.db2.gz	NDEFUIOLXJOUNM-STQMWFEESA-N	1	3	303.403	-1.238	20	0		DAADHO
COCCN1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1	ZINC001100074412	782546847	/nfs/dbraw/zinc/54/68/47/782546847.db2.gz	NDEFUIOLXJOUNM-OLZOCXBDSA-N	1	3	303.403	-1.238	20	0		DAADHO
C[NH+](C)CCOCC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O	ZINC001100073417	782546957	/nfs/dbraw/zinc/54/69/57/782546957.db2.gz	CPJYQJHWXVIOLD-OLZOCXBDSA-N	1	3	303.403	-1.502	20	0		DAADHO
COCCN1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1	ZINC001100074411	782547194	/nfs/dbraw/zinc/54/71/94/782547194.db2.gz	NDEFUIOLXJOUNM-CHWSQXEVSA-N	1	3	303.403	-1.238	20	0		DAADHO
C[NH+](C)CCOCC(=O)N[C@H]1CCN(CCCO)C[C@H]1O	ZINC001100073419	782547993	/nfs/dbraw/zinc/54/79/93/782547993.db2.gz	CPJYQJHWXVIOLD-QWHCGFSZSA-N	1	3	303.403	-1.502	20	0		DAADHO
CN1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1	ZINC001118487333	782721852	/nfs/dbraw/zinc/72/18/52/782721852.db2.gz	UHVAZIAKZPYKCG-ZDUSSCGKSA-N	1	3	311.430	-1.392	20	0		DAADHO
CN1CCN(C)[C@H](CNC(=O)C(=O)NC[C@@H]2COCCN2)C1	ZINC001118865803	782736089	/nfs/dbraw/zinc/73/60/89/782736089.db2.gz	SJIFLYKMNJVQDI-VXGBXAGGSA-N	1	3	313.402	-2.547	20	0		DAADHO
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1COCCN1	ZINC001118865803	782736093	/nfs/dbraw/zinc/73/60/93/782736093.db2.gz	SJIFLYKMNJVQDI-VXGBXAGGSA-N	1	3	313.402	-2.547	20	0		DAADHO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1COCCN1	ZINC001118865803	782736099	/nfs/dbraw/zinc/73/60/99/782736099.db2.gz	SJIFLYKMNJVQDI-VXGBXAGGSA-N	1	3	313.402	-2.547	20	0		DAADHO
CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)NC(N)=O)CC[N@@H+]1C	ZINC001267374937	775232339	/nfs/dbraw/zinc/23/23/39/775232339.db2.gz	QJMPEEYDXAOYGN-WDEREUQCSA-N	1	3	313.402	-1.040	20	0		DAADHO
CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)NC(N)=O)CC[N@H+]1C	ZINC001267374937	775232345	/nfs/dbraw/zinc/23/23/45/775232345.db2.gz	QJMPEEYDXAOYGN-WDEREUQCSA-N	1	3	313.402	-1.040	20	0		DAADHO
C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)Cc1c[nH]cn1	ZINC001271119315	775529707	/nfs/dbraw/zinc/52/97/07/775529707.db2.gz	BTPYCXGZCBMSOM-JTQLQIEISA-N	1	3	322.369	-1.060	20	0		DAADHO
CS(=O)(=O)NCCNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001127481618	775807073	/nfs/dbraw/zinc/80/70/73/775807073.db2.gz	VGWHTZSURWVTJE-GFCCVEGCSA-N	1	3	318.443	-1.417	20	0		DAADHO
O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@@H]1C[NH+]2CCC1CC2	ZINC001127479719	775807615	/nfs/dbraw/zinc/80/76/15/775807615.db2.gz	GVXPRLXGNHWNHV-NEPJUHHUSA-N	1	3	308.382	-1.161	20	0		DAADHO
CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCCN1C	ZINC001124879477	775833491	/nfs/dbraw/zinc/83/34/91/775833491.db2.gz	URVQIWZXARSNCX-LLVKDONJSA-N	1	3	306.432	-1.274	20	0		DAADHO
CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCCN1C	ZINC001124879478	775833828	/nfs/dbraw/zinc/83/38/28/775833828.db2.gz	URVQIWZXARSNCX-NSHDSACASA-N	1	3	306.432	-1.274	20	0		DAADHO
CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O	ZINC001128552130	775984548	/nfs/dbraw/zinc/98/45/48/775984548.db2.gz	KPHLGFOJJLTLJL-NXEZZACHSA-N	1	3	319.381	-1.045	20	0		DAADHO
CCN(CC)CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC	ZINC001168755036	776038191	/nfs/dbraw/zinc/03/81/91/776038191.db2.gz	FLTKVDXJSILZKK-UHFFFAOYSA-N	1	3	301.391	-1.120	20	0		DAADHO
CN(c1cnc(O[C@@H]2CC[NH2+]C2)nc1)S(=O)(=O)CCN	ZINC001164296661	776117116	/nfs/dbraw/zinc/11/71/16/776117116.db2.gz	KAPFIBJGHGAKEB-SNVBAGLBSA-N	1	3	301.372	-1.058	20	0		DAADHO
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](N)CCC(=O)OC	ZINC001157323512	776380032	/nfs/dbraw/zinc/38/00/32/776380032.db2.gz	STDFEOQKLSRGRQ-ZJUUUORDSA-N	1	3	302.375	-1.373	20	0		DAADHO
CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H]1CCS(=O)(=O)C12CNC2	ZINC001157716991	776428233	/nfs/dbraw/zinc/42/82/33/776428233.db2.gz	VYWWJGHPNCGZIV-GHMZBOCLSA-N	1	3	317.411	-1.790	20	0		DAADHO
CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C	ZINC001129443604	776471059	/nfs/dbraw/zinc/47/10/59/776471059.db2.gz	KZKLINGXHSNBFC-GFCCVEGCSA-N	1	3	320.459	-1.028	20	0		DAADHO
CN(C)[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1CC1	ZINC001129444088	776471475	/nfs/dbraw/zinc/47/14/75/776471475.db2.gz	PWFJGSFILFDKSS-LLVKDONJSA-N	1	3	306.432	-1.418	20	0		DAADHO
CN(CC(=O)NCC[NH2+]CCNS(C)(=O)=O)C1CCC1	ZINC001129535473	776474323	/nfs/dbraw/zinc/47/43/23/776474323.db2.gz	SZDVIIQMQLRRMK-UHFFFAOYSA-N	1	3	306.432	-1.274	20	0		DAADHO
CC(C)[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)[NH+](C)C	ZINC001129950283	776486185	/nfs/dbraw/zinc/48/61/85/776486185.db2.gz	QJWVRKQLSWJOQC-UWVGGRQHSA-N	1	3	301.391	-1.138	20	0		DAADHO
CC(C)[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(N)=O)[NH+](C)C	ZINC001129950284	776486838	/nfs/dbraw/zinc/48/68/38/776486838.db2.gz	QJWVRKQLSWJOQC-ZJUUUORDSA-N	1	3	301.391	-1.138	20	0		DAADHO
CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)N(C)C	ZINC001130200620	776497577	/nfs/dbraw/zinc/49/75/77/776497577.db2.gz	LSGZAWWPOCORST-NXEZZACHSA-N	1	3	301.391	-1.124	20	0		DAADHO
CC[C@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)N(C)C	ZINC001130203117	776498003	/nfs/dbraw/zinc/49/80/03/776498003.db2.gz	FFLFGEWRXPFSOY-LLVKDONJSA-N	1	3	308.448	-1.076	20	0		DAADHO
CS(=O)(=O)NCCNCCNC(=O)C12CCC[NH+]1CCC2	ZINC001130809871	776534760	/nfs/dbraw/zinc/53/47/60/776534760.db2.gz	KFVYSIMDMXQYFN-UHFFFAOYSA-N	1	3	318.443	-1.130	20	0		DAADHO
CNC(=O)[C@H](C)NCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131521950	776572299	/nfs/dbraw/zinc/57/22/99/776572299.db2.gz	MVGFVRMJBANBEG-DILZAHMFSA-N	1	3	310.398	-1.310	20	0		DAADHO
CNC(=O)[C@H](C)NCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1	ZINC001131521950	776572303	/nfs/dbraw/zinc/57/23/03/776572303.db2.gz	MVGFVRMJBANBEG-DILZAHMFSA-N	1	3	310.398	-1.310	20	0		DAADHO
O=C(NCCN[C@@H]1CCCNC1=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131520239	776574066	/nfs/dbraw/zinc/57/40/66/776574066.db2.gz	VQKGBMKFQKATSA-WULFKBJJSA-N	1	3	322.409	-1.166	20	0		DAADHO
O=C(NCCN[C@@H]1CCCNC1=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1	ZINC001131520239	776574070	/nfs/dbraw/zinc/57/40/70/776574070.db2.gz	VQKGBMKFQKATSA-WULFKBJJSA-N	1	3	322.409	-1.166	20	0		DAADHO
CCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131519485	776574209	/nfs/dbraw/zinc/57/42/09/776574209.db2.gz	GTAXUOXIWVAUFM-AVERBVTBSA-N	1	3	310.398	-1.309	20	0		DAADHO
CCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1	ZINC001131519485	776574214	/nfs/dbraw/zinc/57/42/14/776574214.db2.gz	GTAXUOXIWVAUFM-AVERBVTBSA-N	1	3	310.398	-1.309	20	0		DAADHO
CN(C)C(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1	ZINC001131519440	776574436	/nfs/dbraw/zinc/57/44/36/776574436.db2.gz	FIGRBYLKMRUUBY-AVERBVTBSA-N	1	3	310.398	-1.356	20	0		DAADHO
CN(C)C(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1	ZINC001131519440	776574444	/nfs/dbraw/zinc/57/44/44/776574444.db2.gz	FIGRBYLKMRUUBY-AVERBVTBSA-N	1	3	310.398	-1.356	20	0		DAADHO
CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1)C(N)=O	ZINC001131521572	776574907	/nfs/dbraw/zinc/57/49/07/776574907.db2.gz	BUWYRGCNWNCJMQ-OOLXCHQQSA-N	1	3	310.398	-1.181	20	0		DAADHO
CN1CC[C@@H](NCCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O	ZINC001131521532	776575241	/nfs/dbraw/zinc/57/52/41/776575241.db2.gz	ANKWMBQVYXAHCI-LGESCRJUSA-N	1	3	322.409	-1.214	20	0		DAADHO
CN1CC[C@@H](NCCNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1=O	ZINC001131521532	776575246	/nfs/dbraw/zinc/57/52/46/776575246.db2.gz	ANKWMBQVYXAHCI-LGESCRJUSA-N	1	3	322.409	-1.214	20	0		DAADHO
NC(=O)NC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1	ZINC001131790247	776587834	/nfs/dbraw/zinc/58/78/34/776587834.db2.gz	JMIFZCMZHFXPPH-GFCCVEGCSA-N	1	3	311.386	-1.239	20	0		DAADHO
CN(CCNCCNC(=O)C1(C[NH+](C)C)CC1)S(C)(=O)=O	ZINC001132992891	776649367	/nfs/dbraw/zinc/64/93/67/776649367.db2.gz	IPANLPZIRSNWCE-UHFFFAOYSA-N	1	3	320.459	-1.075	20	0		DAADHO
C[NH+](C)CC1(C(=O)NCCNCC(=O)N2CCOCC2)CC1	ZINC001132992581	776649484	/nfs/dbraw/zinc/64/94/84/776649484.db2.gz	CQMFTPYRIBEPBU-UHFFFAOYSA-N	1	3	312.414	-1.107	20	0		DAADHO
C[NH+](C)CCC(=O)NCCNCC(=O)NC[C@H]1CCOC1	ZINC001133290758	776663064	/nfs/dbraw/zinc/66/30/64/776663064.db2.gz	ATTUFVZPSFTWRA-GFCCVEGCSA-N	1	3	300.403	-1.203	20	0		DAADHO
CCS(=O)(=O)NCCNCCNC(=O)C1CC[NH+](C)CC1	ZINC001133281863	776663976	/nfs/dbraw/zinc/66/39/76/776663976.db2.gz	QEHBZTHVWFZBOR-UHFFFAOYSA-N	1	3	320.459	-1.027	20	0		DAADHO
C[NH+]1CCC(C(=O)NCCNCC(=O)N2CCOCC2)CC1	ZINC001133285971	776664183	/nfs/dbraw/zinc/66/41/83/776664183.db2.gz	QNJQCMNFSADRNG-UHFFFAOYSA-N	1	3	312.414	-1.107	20	0		DAADHO
C[NH+](C)CCC(=O)NCCNCC(=O)NC[C@@H]1CCCO1	ZINC001133294622	776665558	/nfs/dbraw/zinc/66/55/58/776665558.db2.gz	NQCFZIMPNMXVCC-LBPRGKRZSA-N	1	3	300.403	-1.061	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C	ZINC001133870626	776680719	/nfs/dbraw/zinc/68/07/19/776680719.db2.gz	UZERSURZBFOFCZ-GHMZBOCLSA-N	1	3	313.402	-1.264	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C	ZINC001133870626	776680720	/nfs/dbraw/zinc/68/07/20/776680720.db2.gz	UZERSURZBFOFCZ-GHMZBOCLSA-N	1	3	313.402	-1.264	20	0		DAADHO
C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCCN(C)S(C)(=O)=O	ZINC001133871214	776680909	/nfs/dbraw/zinc/68/09/09/776680909.db2.gz	YQALWLFKYFHNBQ-NWDGAFQWSA-N	1	3	320.459	-1.219	20	0		DAADHO
C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCCN(C)S(C)(=O)=O	ZINC001133871214	776680920	/nfs/dbraw/zinc/68/09/20/776680920.db2.gz	YQALWLFKYFHNBQ-NWDGAFQWSA-N	1	3	320.459	-1.219	20	0		DAADHO
C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)N2CCOCC2)C1	ZINC001133845976	776681070	/nfs/dbraw/zinc/68/10/70/776681070.db2.gz	QYFZHULQPBFWNP-CYBMUJFWSA-N	1	3	312.414	-1.107	20	0		DAADHO
C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N2CCOCC2)C1	ZINC001133845976	776681076	/nfs/dbraw/zinc/68/10/76/776681076.db2.gz	QYFZHULQPBFWNP-CYBMUJFWSA-N	1	3	312.414	-1.107	20	0		DAADHO
C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N1CCOCC1	ZINC001133871252	776681394	/nfs/dbraw/zinc/68/13/94/776681394.db2.gz	ZTJDTCVENKAZMT-STQMWFEESA-N	1	3	312.414	-1.251	20	0		DAADHO
C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N1CCOCC1	ZINC001133871252	776681400	/nfs/dbraw/zinc/68/14/00/776681400.db2.gz	ZTJDTCVENKAZMT-STQMWFEESA-N	1	3	312.414	-1.251	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C	ZINC001133870635	776681561	/nfs/dbraw/zinc/68/15/61/776681561.db2.gz	UZERSURZBFOFCZ-WDEREUQCSA-N	1	3	313.402	-1.264	20	0		DAADHO
CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C	ZINC001133870635	776681565	/nfs/dbraw/zinc/68/15/65/776681565.db2.gz	UZERSURZBFOFCZ-WDEREUQCSA-N	1	3	313.402	-1.264	20	0		DAADHO
CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C	ZINC001133863783	776681610	/nfs/dbraw/zinc/68/16/10/776681610.db2.gz	PFCZPEYRELPTDW-VXGBXAGGSA-N	1	3	320.459	-1.171	20	0		DAADHO
CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C	ZINC001133863783	776681615	/nfs/dbraw/zinc/68/16/15/776681615.db2.gz	PFCZPEYRELPTDW-VXGBXAGGSA-N	1	3	320.459	-1.171	20	0		DAADHO
C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N1CCOCC1	ZINC001133871250	776681627	/nfs/dbraw/zinc/68/16/27/776681627.db2.gz	ZTJDTCVENKAZMT-OLZOCXBDSA-N	1	3	312.414	-1.251	20	0		DAADHO
C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N1CCOCC1	ZINC001133871250	776681632	/nfs/dbraw/zinc/68/16/32/776681632.db2.gz	ZTJDTCVENKAZMT-OLZOCXBDSA-N	1	3	312.414	-1.251	20	0		DAADHO
CNC(=O)CNCCNC(=O)COC[C@H](C)[NH+]1CCCC1	ZINC001134021192	776687086	/nfs/dbraw/zinc/68/70/86/776687086.db2.gz	UPCGETQZYCLEBQ-LBPRGKRZSA-N	1	3	300.403	-1.061	20	0		DAADHO
CCN(CC)CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O	ZINC001135513815	776759259	/nfs/dbraw/zinc/75/92/59/776759259.db2.gz	ZWFQCJDPTKDXBN-UHFFFAOYSA-N	1	3	313.402	-1.024	20	0		DAADHO
C[NH+]1CCC(OCC(=O)NCCNCC(=O)NC(N)=O)CC1	ZINC001135958846	776776285	/nfs/dbraw/zinc/77/62/85/776776285.db2.gz	GQZAGWADDLKEGY-UHFFFAOYSA-N	1	3	315.374	-2.002	20	0		DAADHO
[NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1	ZINC001120420643	779519695	/nfs/dbraw/zinc/51/96/95/779519695.db2.gz	MVWOZBRVBFNRSY-FDYHWXHSSA-N	1	3	310.398	-1.181	20	0		DAADHO
CCOC(=O)CN(CC[NH3+])C(=O)CCN1CCN(C)CC1	ZINC001143238120	779627190	/nfs/dbraw/zinc/62/71/90/779627190.db2.gz	XJMCGSSLGPOPLR-UHFFFAOYSA-N	1	3	300.403	-1.026	20	0		DAADHO
C[NH+](C)CCOCC(=O)NC[C@H]1CN(CCO)CCCO1	ZINC001150587992	779663502	/nfs/dbraw/zinc/66/35/02/779663502.db2.gz	LHLXIJSVNXLBDI-ZDUSSCGKSA-N	1	3	303.403	-1.236	20	0		DAADHO
C[N@@H+]1CC[C@@H](C(=O)NCCNCCN2CCCS2(=O)=O)C1	ZINC001151049640	779669175	/nfs/dbraw/zinc/66/91/75/779669175.db2.gz	VDVHZAKEIOVOBG-GFCCVEGCSA-N	1	3	318.443	-1.321	20	0		DAADHO
C[N@H+]1CC[C@@H](C(=O)NCCNCCN2CCCS2(=O)=O)C1	ZINC001151049640	779669181	/nfs/dbraw/zinc/66/91/81/779669181.db2.gz	VDVHZAKEIOVOBG-GFCCVEGCSA-N	1	3	318.443	-1.321	20	0		DAADHO
Cn1c(CNCCNC(=O)[C@H]2CC[N@H+](C)C2)cc(=O)n(C)c1=O	ZINC001151073107	779671656	/nfs/dbraw/zinc/67/16/56/779671656.db2.gz	GBSZHHVPZYCOII-NSHDSACASA-N	1	3	323.397	-1.759	20	0		DAADHO
Cn1c(CNCCNC(=O)[C@H]2CC[N@@H+](C)C2)cc(=O)n(C)c1=O	ZINC001151073107	779671658	/nfs/dbraw/zinc/67/16/58/779671658.db2.gz	GBSZHHVPZYCOII-NSHDSACASA-N	1	3	323.397	-1.759	20	0		DAADHO
CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001151064687	779671831	/nfs/dbraw/zinc/67/18/31/779671831.db2.gz	CZDPLANQOBDEEM-LLVKDONJSA-N	1	3	306.432	-1.417	20	0		DAADHO
CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001151064687	779671837	/nfs/dbraw/zinc/67/18/37/779671837.db2.gz	CZDPLANQOBDEEM-LLVKDONJSA-N	1	3	306.432	-1.417	20	0		DAADHO
N[C@H]1CN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C[C@H]1F	ZINC001157531242	779755650	/nfs/dbraw/zinc/75/56/50/779755650.db2.gz	OFJNLKVWTBXFRV-AEJSXWLSSA-N	1	3	309.349	-1.568	20	0		DAADHO
O=C([C@H]1CCCO1)N1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1	ZINC001157498240	779755684	/nfs/dbraw/zinc/75/56/84/779755684.db2.gz	YFNKVGLSVZUGKY-QWHCGFSZSA-N	1	3	322.409	-1.355	20	0		DAADHO
CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(C)C[C@@H]1C[NH2+]CCO1	ZINC001157720455	779757138	/nfs/dbraw/zinc/75/71/38/779757138.db2.gz	JJALLNXBAILIHU-GVXVVHGQSA-N	1	3	300.403	-1.077	20	0		DAADHO
CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(C)C[C@H]1C[NH2+]CCO1	ZINC001157720456	779757680	/nfs/dbraw/zinc/75/76/80/779757680.db2.gz	JJALLNXBAILIHU-LOWVWBTDSA-N	1	3	300.403	-1.077	20	0		DAADHO
CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H](N)CSCC[NH3+]	ZINC001158005631	779763880	/nfs/dbraw/zinc/76/38/80/779763880.db2.gz	AIGLHHMDITYOIC-UWVGGRQHSA-N	1	3	304.416	-1.631	20	0		DAADHO
O=C([C@@H]1COC2(CNC2)CN1)N1CC(=O)NC[C@@]12CC[NH2+]C2	ZINC001158093920	779766072	/nfs/dbraw/zinc/76/60/72/779766072.db2.gz	YSAUCPCAAKDBCD-GWCFXTLKSA-N	1	3	309.370	-2.993	20	0		DAADHO
N[C@H](C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)C1CCC(O)CC1	ZINC001158100716	779767168	/nfs/dbraw/zinc/76/71/68/779767168.db2.gz	AZTYLPSJSYYQNV-DIQYOTHFSA-N	1	3	310.398	-1.445	20	0		DAADHO
CN1CCNC[C@H]1C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1	ZINC001158118831	779768057	/nfs/dbraw/zinc/76/80/57/779768057.db2.gz	DQHXXBUEYWAHNI-NHYWBVRUSA-N	1	3	307.398	-2.172	20	0		DAADHO
O=C(C[C@H]1CNCCO1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1	ZINC001158118682	779768358	/nfs/dbraw/zinc/76/83/58/779768358.db2.gz	CNOBKKNACLAOIA-XHDPSFHLSA-N	1	3	308.382	-1.697	20	0		DAADHO
NC(C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)C(F)(F)F	ZINC001158121466	779769540	/nfs/dbraw/zinc/76/95/40/779769540.db2.gz	UQLSCOURGORMAE-HQJQHLMTSA-N	1	3	306.288	-1.186	20	0		DAADHO
O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC2(CC1)COCC(=O)N2	ZINC001158326814	779774099	/nfs/dbraw/zinc/77/40/99/779774099.db2.gz	MTZNHKPEDQYQSN-NSHDSACASA-N	1	3	308.382	-1.697	20	0		DAADHO
O=C([C@H]1C[NH2+]CC12CNC2)N1CCC2(CC1)COCC(=O)N2	ZINC001158326813	779774169	/nfs/dbraw/zinc/77/41/69/779774169.db2.gz	MTZNHKPEDQYQSN-LLVKDONJSA-N	1	3	308.382	-1.697	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3	ZINC001158545789	779778227	/nfs/dbraw/zinc/77/82/27/779778227.db2.gz	ILJWUVVTXAQQGK-HHHUMZEGSA-N	1	3	310.398	-1.182	20	0		DAADHO
[NH3+]C1([C@@H]2CN(C(=O)[C@@H]3COC4(CNC4)CN3)C[C@@H]2CF)CC1	ZINC001158568966	779778292	/nfs/dbraw/zinc/77/82/92/779778292.db2.gz	UOTJISPUALJRDF-TUAOUCFPSA-N	1	3	312.389	-1.148	20	0		DAADHO
CNC(=O)CN1CCCC12CCN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)CC2	ZINC001158890173	779781291	/nfs/dbraw/zinc/78/12/91/779781291.db2.gz	AZYWLKXCQVTWBP-STQMWFEESA-N	1	3	324.425	-1.088	20	0		DAADHO
CNC(=O)CN1CCCC12CCN(C(=O)[C@H]1C[NH2+]C[C@H]1O)CC2	ZINC001158890819	779781448	/nfs/dbraw/zinc/78/14/48/779781448.db2.gz	NXIDLLVRJCLIPY-QWHCGFSZSA-N	1	3	324.425	-1.230	20	0		DAADHO
CNC(=O)CN1CCCC12CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)CC2	ZINC001158890817	779782323	/nfs/dbraw/zinc/78/23/23/779782323.db2.gz	NXIDLLVRJCLIPY-CHWSQXEVSA-N	1	3	324.425	-1.230	20	0		DAADHO
N[C@H](CCC[NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1	ZINC001159267380	779790538	/nfs/dbraw/zinc/79/05/38/779790538.db2.gz	KWRGJLSMDXOSQK-UPJWGTAASA-N	1	3	320.397	-1.041	20	0		DAADHO
CC(=O)NCc1nnc2n1CCN(C(=O)[C@H](N)CCC[NH3+])C2	ZINC001159929414	779798439	/nfs/dbraw/zinc/79/84/39/779798439.db2.gz	IROVZAKAVWAPHN-SNVBAGLBSA-N	1	3	309.374	-1.677	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C	ZINC001159914548	779798641	/nfs/dbraw/zinc/79/86/41/779798641.db2.gz	DTWXXLKNACXFGD-GFCCVEGCSA-N	1	3	313.402	-1.122	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C	ZINC001159914549	779798810	/nfs/dbraw/zinc/79/88/10/779798810.db2.gz	DTWXXLKNACXFGD-LBPRGKRZSA-N	1	3	313.402	-1.122	20	0		DAADHO
CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H](N)CCC[NH3+]	ZINC001160439247	779806471	/nfs/dbraw/zinc/80/64/71/779806471.db2.gz	ITMQBZXSGXTEOH-ZJUUUORDSA-N	1	3	300.359	-1.667	20	0		DAADHO
N[C@@H](CCC[NH3+])C(=O)N1CCN(CC(=O)N2CCCC2)CC1	ZINC001160483744	779808288	/nfs/dbraw/zinc/80/82/88/779808288.db2.gz	MWTZNEKPQXMLJD-ZDUSSCGKSA-N	1	3	311.430	-1.181	20	0		DAADHO
N[C@@H](CSCC[NH3+])C(=O)N1CC(N2CCNC(=O)C2)C1	ZINC001160637732	779813224	/nfs/dbraw/zinc/81/32/24/779813224.db2.gz	SGPVTQHPUWEQKG-JTQLQIEISA-N	1	3	301.416	-2.352	20	0		DAADHO
O=C(N1CCC2(CC1)CNC(=O)CO2)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001160772784	779818660	/nfs/dbraw/zinc/81/86/60/779818660.db2.gz	XBMMUMGUJQXESW-MLGOLLRUSA-N	1	3	322.409	-1.307	20	0		DAADHO
N[C@@H](C(=O)N1CCC2(CC1)CNC(=O)CO2)C1CC[NH2+]CC1	ZINC001160771878	779818731	/nfs/dbraw/zinc/81/87/31/779818731.db2.gz	ILILLJPZGPTGID-CYBMUJFWSA-N	1	3	310.398	-1.179	20	0		DAADHO
CC[C@H](C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O)N(C)C	ZINC001160889656	779820972	/nfs/dbraw/zinc/82/09/72/779820972.db2.gz	NPOHUFQRWSJWRQ-LLVKDONJSA-N	1	3	313.402	-1.026	20	0		DAADHO
CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC)N(C)C	ZINC001160883439	779821491	/nfs/dbraw/zinc/82/14/91/779821491.db2.gz	NDFDXPUKUPHMJT-SNVBAGLBSA-N	1	3	301.391	-1.122	20	0		DAADHO
O=C([C@@H]1COC2(CNC2)CN1)N(c1ncccn1)C1C[NH2+]C1	ZINC001160915863	779823005	/nfs/dbraw/zinc/82/30/05/779823005.db2.gz	PSEPSBHQHQYLDV-NSHDSACASA-N	1	3	304.354	-1.888	20	0		DAADHO
[NH3+][C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)CC(F)(F)C1	ZINC001160966777	779823185	/nfs/dbraw/zinc/82/31/85/779823185.db2.gz	BLGCNIJXXLHYHC-IUCAKERBSA-N	1	3	323.365	-1.042	20	0		DAADHO
NC(=O)NCCC[C@@H](N)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1	ZINC001160999601	779825309	/nfs/dbraw/zinc/82/53/09/779825309.db2.gz	IDRCAXDAOGCSOE-MNOVXSKESA-N	1	3	313.402	-1.522	20	0		DAADHO
O=C([C@H]1C[NH2+]CC12CNC2)N1Cc2ccnn2CC[C@@H]1CO	ZINC001161170080	779830393	/nfs/dbraw/zinc/83/03/93/779830393.db2.gz	ISJBDMDINIMKGS-CHWSQXEVSA-N	1	3	305.382	-1.215	20	0		DAADHO
N[C@H](C(=O)N1CCN(c2ncncn2)CC1)C1CC[NH2+]CC1	ZINC001161247301	779830792	/nfs/dbraw/zinc/83/07/92/779830792.db2.gz	CGBIDRNHKSYKFV-LBPRGKRZSA-N	1	3	305.386	-1.153	20	0		DAADHO
COC(=O)[C@H]1CN(C(=O)[C@H](N)CCC[NH3+])CCN1C(C)=O	ZINC001161295574	779834814	/nfs/dbraw/zinc/83/48/14/779834814.db2.gz	MBQDYFUMSQQRIQ-GHMZBOCLSA-N	1	3	300.359	-1.715	20	0		DAADHO
[NH3+]C1CCN([C@H]2CCN(C(=O)[C@@H]3COC4(CNC4)CN3)C2)CC1	ZINC001161380874	779835259	/nfs/dbraw/zinc/83/52/59/779835259.db2.gz	WJBFFOSXUOLIMR-KBPBESRZSA-N	1	3	323.441	-1.659	20	0		DAADHO
O=C([C@H]1COC2(CNC2)CN1)N1CCO[C@@H](C[NH+]2CCCC2)C1	ZINC001161382429	779835861	/nfs/dbraw/zinc/83/58/61/779835861.db2.gz	XNUSTMZQFCHZRO-UONOGXRCSA-N	1	3	324.425	-1.360	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1	ZINC001161380342	779836060	/nfs/dbraw/zinc/83/60/60/779836060.db2.gz	USZAWJAWAZWUMS-GMXVVIOVSA-N	1	3	311.430	-1.138	20	0		DAADHO
[NH3+][C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)CC12COC2	ZINC001161511173	779841663	/nfs/dbraw/zinc/84/16/63/779841663.db2.gz	YAWKKBPAFTYHOO-NXEZZACHSA-N	1	3	315.395	-2.051	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]([NH3+])C2(COC2)C1	ZINC001161510995	779841858	/nfs/dbraw/zinc/84/18/58/779841858.db2.gz	UOBIRZJTPOGJOA-CIUDSAMLSA-N	1	3	313.358	-3.120	20	0		DAADHO
[NH3+][C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)CC12COC2	ZINC001161511176	779842045	/nfs/dbraw/zinc/84/20/45/779842045.db2.gz	YAWKKBPAFTYHOO-ZJUUUORDSA-N	1	3	315.395	-2.051	20	0		DAADHO
COC(=O)CC[C@@H]1COCCN1C(=O)[C@@H]1C[NH2+]CC12CNC2	ZINC001161564532	779842805	/nfs/dbraw/zinc/84/28/05/779842805.db2.gz	BUNDRXBWXYHGEX-NEPJUHHUSA-N	1	3	311.382	-1.024	20	0		DAADHO
C[C@H]([NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1)C(N)=O	ZINC001162872208	779862868	/nfs/dbraw/zinc/86/28/68/779862868.db2.gz	KMUGQIZGOKEUIF-BVWOZKJXSA-N	1	3	310.398	-1.181	20	0		DAADHO
CC[C@@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)N(C)C	ZINC001166852412	779894753	/nfs/dbraw/zinc/89/47/53/779894753.db2.gz	QRFZNEKWZIJNNO-NSHDSACASA-N	1	3	308.448	-1.028	20	0		DAADHO
NC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1	ZINC001206404324	779909543	/nfs/dbraw/zinc/90/95/43/779909543.db2.gz	YMAXUMMDEQHFCB-UHFFFAOYSA-N	1	3	322.369	-1.025	20	0		DAADHO
CNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)CC[NH+](C)C)C1	ZINC001209447094	779952970	/nfs/dbraw/zinc/95/29/70/779952970.db2.gz	XAYANRTUYYJTCB-NSHDSACASA-N	1	3	313.402	-1.026	20	0		DAADHO
C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](NCC(=O)NC(N)=O)C2)C1	ZINC001211065747	779967011	/nfs/dbraw/zinc/96/70/11/779967011.db2.gz	ZDLWAZXCYAUUIA-QWRGUYRKSA-N	1	3	311.386	-1.286	20	0		DAADHO
C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](NCC(=O)NC(N)=O)C2)C1	ZINC001211065747	779967012	/nfs/dbraw/zinc/96/70/12/779967012.db2.gz	ZDLWAZXCYAUUIA-QWRGUYRKSA-N	1	3	311.386	-1.286	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C	ZINC001215455743	780009457	/nfs/dbraw/zinc/00/94/57/780009457.db2.gz	FNEJEICMBBMYHJ-GHMZBOCLSA-N	1	3	313.402	-1.170	20	0		DAADHO
CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001215994080	780010705	/nfs/dbraw/zinc/01/07/05/780010705.db2.gz	PBVNTXVEEPCFKQ-GHMZBOCLSA-N	1	3	313.402	-1.040	20	0		DAADHO
CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1	ZINC001216852330	780017202	/nfs/dbraw/zinc/01/72/02/780017202.db2.gz	ULMBDVSDYIUNNG-GHMZBOCLSA-N	1	3	313.402	-1.042	20	0		DAADHO
CCc1c(NC(=O)[C@H]2C[NH2+]CC23CNC3)c(C(N)=O)nn1C	ZINC001218788469	780040719	/nfs/dbraw/zinc/04/07/19/780040719.db2.gz	PSNUYDUPVNLLAX-MRVPVSSYSA-N	1	3	306.370	-1.171	20	0		DAADHO
CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(CC[NH3+])S(C)(=O)=O	ZINC001219595458	780120209	/nfs/dbraw/zinc/12/02/09/780120209.db2.gz	AYSFUZKUXIAUGI-WPRPVWTQSA-N	1	3	308.404	-1.777	20	0		DAADHO
C[C@H](N)C(=O)N1[C@H](C(=O)N[C@@H]2COC[C@@H]2[NH3+])COC1(C)C	ZINC001219720657	780137749	/nfs/dbraw/zinc/13/77/49/780137749.db2.gz	OIYFUEDWPWETAV-QEYWKRMJSA-N	1	3	300.359	-1.861	20	0		DAADHO
NC(=O)NCCC[C@H](N)C(=O)NCC[C@H]1CCOC12C[NH2+]C2	ZINC001219800262	780148219	/nfs/dbraw/zinc/14/82/19/780148219.db2.gz	INLNBFJAKXIOKR-QWRGUYRKSA-N	1	3	313.402	-1.353	20	0		DAADHO
C[S@](=O)CC[C@H](N)C(=O)NCC[C@H]1CCOC12C[NH2+]C2	ZINC001219801388	780148685	/nfs/dbraw/zinc/14/86/85/780148685.db2.gz	YXRODLZRYFDYHB-MKXJDEKUSA-N	1	3	303.428	-1.033	20	0		DAADHO
C[S@@](=O)CC[C@H](N)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2	ZINC001219801390	780148857	/nfs/dbraw/zinc/14/88/57/780148857.db2.gz	YXRODLZRYFDYHB-QZXWKGOOSA-N	1	3	303.428	-1.033	20	0		DAADHO
C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12	ZINC001219847659	780155893	/nfs/dbraw/zinc/15/58/93/780155893.db2.gz	NZKHNEVTZMGPSV-PJSNJIKXSA-N	1	3	310.398	-1.040	20	0		DAADHO
O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1COC2(CNC2)CN1	ZINC001219850204	780155996	/nfs/dbraw/zinc/15/59/96/780155996.db2.gz	NPPNXGZPSFQPGP-ZDEQEGDKSA-N	1	3	310.398	-1.943	20	0		DAADHO
CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12	ZINC001219854866	780157563	/nfs/dbraw/zinc/15/75/63/780157563.db2.gz	ZAGSOTAYMHIEIS-FPYNETTCSA-N	1	3	312.414	-1.033	20	0		DAADHO
Cn1cc2c(n1)[C@@H](CNC(=O)[C@H]1C[NH2+]CC13CNC3)OCC2	ZINC001219884696	780158828	/nfs/dbraw/zinc/15/88/28/780158828.db2.gz	AMPHPKJWIQTLQK-VXGBXAGGSA-N	1	3	305.382	-1.041	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCCC[NH+](C)C	ZINC001219920184	780162240	/nfs/dbraw/zinc/16/22/40/780162240.db2.gz	AKYSRKUSHXXWGB-QWRGUYRKSA-N	1	3	315.418	-1.458	20	0		DAADHO
COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+]	ZINC001219974721	780168731	/nfs/dbraw/zinc/16/87/31/780168731.db2.gz	CZHOCJRLMSVCLI-QWRGUYRKSA-N	1	3	314.386	-1.277	20	0		DAADHO
CCOC(=O)c1nnc(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)o1	ZINC001220011049	780170867	/nfs/dbraw/zinc/17/08/67/780170867.db2.gz	PULARYIXVNTVAD-QMMMGPOBSA-N	1	3	309.326	-1.329	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)n1cnc(C[NH3+])cc1=N	ZINC001220020237	780171850	/nfs/dbraw/zinc/17/18/50/780171850.db2.gz	BTJGTDMIDPGFTH-XPUUQOCRSA-N	1	3	309.330	-2.831	20	0		DAADHO
COC(=O)[C@@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C1CCOCC1	ZINC001220025631	780172446	/nfs/dbraw/zinc/17/24/46/780172446.db2.gz	UCIFIVVCNHAFTF-NEPJUHHUSA-N	1	3	311.382	-1.120	20	0		DAADHO
COc1ncnc(OC)c1CNC(=O)[C@H]1C[NH2+]CC12CNC2	ZINC001220045414	780173774	/nfs/dbraw/zinc/17/37/74/780173774.db2.gz	YOTRXZMZCNTRRN-SNVBAGLBSA-N	1	3	307.354	-1.081	20	0		DAADHO
CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1	ZINC001220139957	780184309	/nfs/dbraw/zinc/18/43/09/780184309.db2.gz	YOCCNFHFMSYRLL-PRULPYPASA-N	1	3	301.412	-1.123	20	0		DAADHO
O=C(N[C@H]1COCCC12OCCO2)[C@]12C[NH2+]C[C@H]1CNCC2	ZINC001220172836	780187610	/nfs/dbraw/zinc/18/76/10/780187610.db2.gz	CECZSZQGWFFCHB-MBNYWOFBSA-N	1	3	311.382	-1.166	20	0		DAADHO
CCOC(=O)CC1(NC(=O)[C@@H](N)CSCC[NH3+])COC1	ZINC001220215411	780190895	/nfs/dbraw/zinc/19/08/95/780190895.db2.gz	VZEQEVHOSSKIJU-VIFPVBQESA-N	1	3	305.400	-1.156	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC[C@@H]1CCC[N@@H+]1C	ZINC001220253884	780197390	/nfs/dbraw/zinc/19/73/90/780197390.db2.gz	GKTZVLKYWBPLAQ-DCAQKATOSA-N	1	3	313.402	-1.706	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC[C@@H]1CCC[N@H+]1C	ZINC001220253884	780197393	/nfs/dbraw/zinc/19/73/93/780197393.db2.gz	GKTZVLKYWBPLAQ-DCAQKATOSA-N	1	3	313.402	-1.706	20	0		DAADHO
NC(=O)NCCC[C@@H](N)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2	ZINC001220315198	780201224	/nfs/dbraw/zinc/20/12/24/780201224.db2.gz	AOAUSPIQEVMWAR-JTNHKYCSSA-N	1	3	313.402	-1.211	20	0		DAADHO
O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1COC2(CNC2)CN1	ZINC001220317226	780202600	/nfs/dbraw/zinc/20/26/00/780202600.db2.gz	WZMXNEFJCMEJRR-SGMGOOAPSA-N	1	3	310.398	-1.656	20	0		DAADHO
O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1COC2(CNC2)CN1	ZINC001220317223	780202955	/nfs/dbraw/zinc/20/29/55/780202955.db2.gz	WZMXNEFJCMEJRR-OBJOEFQTSA-N	1	3	310.398	-1.656	20	0		DAADHO
CN(CC[NH3+])CCNC(=O)[C@H]1CCS(=O)(=O)C12CNC2	ZINC001220516224	780221064	/nfs/dbraw/zinc/22/10/64/780221064.db2.gz	SOEBDAJXITZBBW-SNVBAGLBSA-N	1	3	304.416	-2.230	20	0		DAADHO
[NH3+]CCOCCOCCNC(=O)[C@H]1CNCc2ccnn2C1	ZINC001220517474	780221150	/nfs/dbraw/zinc/22/11/50/780221150.db2.gz	MYCKWJXTPWUOIW-LBPRGKRZSA-N	1	3	311.386	-1.289	20	0		DAADHO
NC(=O)NCCC[C@H](N)C(=O)NCCOCCOCC[NH3+]	ZINC001220519356	780223207	/nfs/dbraw/zinc/22/32/07/780223207.db2.gz	LFMBSQUMAMLVPG-JTQLQIEISA-N	1	3	305.379	-2.130	20	0		DAADHO
CCOC(=O)C1=C(NC(=O)C[C@@H]([NH3+])CCC(N)=O)CCNC1	ZINC001220524197	780223231	/nfs/dbraw/zinc/22/32/31/780223231.db2.gz	ZDWRMGDTVWHPAG-VIFPVBQESA-N	1	3	312.370	-1.104	20	0		DAADHO
N[C@@H](CCC[NH3+])C(=O)NCCCN1CCS(=O)(=O)CC1	ZINC001220756958	780245053	/nfs/dbraw/zinc/24/50/53/780245053.db2.gz	OZDXPEALPGEJAH-NSHDSACASA-N	1	3	306.432	-1.711	20	0		DAADHO
COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H]1C[NH2+]CC12CNC2	ZINC001220770496	780247636	/nfs/dbraw/zinc/24/76/36/780247636.db2.gz	XQGIHURZQHMSEE-RYUDHWBXSA-N	1	3	321.381	-1.571	20	0		DAADHO
CCOC(=O)C1(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CNC1	ZINC001220852874	780252747	/nfs/dbraw/zinc/25/27/47/780252747.db2.gz	ASSVVALPIQJOHG-YUMQZZPRSA-N	1	3	302.331	-3.168	20	0		DAADHO
CSCC[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C(N)=O	ZINC001220840601	780253580	/nfs/dbraw/zinc/25/35/80/780253580.db2.gz	QNSDQXJTUKNBGC-GBIKHYSHSA-N	1	3	300.428	-1.091	20	0		DAADHO
NC[C@H]([NH3+])c1ccc(C(=O)NCCN2CCNCC2=O)cc1	ZINC001220877007	780255235	/nfs/dbraw/zinc/25/52/35/780255235.db2.gz	RQYNONYLHNZNJZ-ZDUSSCGKSA-N	1	3	305.382	-1.193	20	0		DAADHO
[NH3+][C@H]1CC[C@H](N(C(=O)[C@@H]2COC3(CNC3)CN2)C2COC2)CC1	ZINC001220930913	780260623	/nfs/dbraw/zinc/26/06/23/780260623.db2.gz	UXLOGZIOUBVGFT-OBJOEFQTSA-N	1	3	324.425	-1.186	20	0		DAADHO
O=C(NCCO[C@@H]1CC[NH2+]C1)[C@H]1CCS(=O)(=O)C12CNC2	ZINC001220936130	780260695	/nfs/dbraw/zinc/26/06/95/780260695.db2.gz	CVAUDJLNMTXOCZ-GHMZBOCLSA-N	1	3	317.411	-1.742	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCO[C@@H]1CC[NH2+]C1	ZINC001220936901	780261884	/nfs/dbraw/zinc/26/18/84/780261884.db2.gz	KCENRVKCYQWLLB-AEJSXWLSSA-N	1	3	315.374	-2.812	20	0		DAADHO
CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCCO[C@@H]1CC[NH2+]C1	ZINC001220937312	780262870	/nfs/dbraw/zinc/26/28/70/780262870.db2.gz	OMZRKMXLHWLOTR-LOWVWBTDSA-N	1	3	300.403	-1.029	20	0		DAADHO
COCC[N@H+]1C[C@@H](NC(=O)[C@H](C)CN2CCOCC2)[C@@H](O)C1	ZINC001220981296	780265885	/nfs/dbraw/zinc/26/58/85/780265885.db2.gz	OVTJHXOGWQCSJW-MCIONIFRSA-N	1	3	315.414	-1.238	20	0		DAADHO
COCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CN2CCOCC2)[C@@H](O)C1	ZINC001220981296	780265894	/nfs/dbraw/zinc/26/58/94/780265894.db2.gz	OVTJHXOGWQCSJW-MCIONIFRSA-N	1	3	315.414	-1.238	20	0		DAADHO
CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]([NH3+])CN2)CC1	ZINC001221007190	780269280	/nfs/dbraw/zinc/26/92/80/780269280.db2.gz	ZFMZENSVSPQHLC-CYDGBPFRSA-N	1	3	311.430	-1.219	20	0		DAADHO
CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](N)C[NH2+]2)CC1	ZINC001221007190	780269288	/nfs/dbraw/zinc/26/92/88/780269288.db2.gz	ZFMZENSVSPQHLC-CYDGBPFRSA-N	1	3	311.430	-1.219	20	0		DAADHO
COCCC1([NH3+])CCN(C(=O)[C@H]2COC3(CNC3)CN2)CC1	ZINC001221133956	780278154	/nfs/dbraw/zinc/27/81/54/780278154.db2.gz	DHPRSJAZDMABIJ-GFCCVEGCSA-N	1	3	312.414	-1.327	20	0		DAADHO
COC(=O)[C@H](CCC[NH3+])NC(=O)CN1CCCC[C@H](N)C1=O	ZINC001221188443	780282466	/nfs/dbraw/zinc/28/24/66/780282466.db2.gz	WGTGNZWUQNYHGL-QWRGUYRKSA-N	1	3	314.386	-1.277	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@]1(C)CCC[N@H+](C)C1	ZINC001221244317	780285651	/nfs/dbraw/zinc/28/56/51/780285651.db2.gz	WGJAMDVPQONLSJ-BHDSKKPTSA-N	1	3	313.402	-1.706	20	0		DAADHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@]1(C)CCC[N@@H+](C)C1	ZINC001221244317	780285653	/nfs/dbraw/zinc/28/56/53/780285653.db2.gz	WGJAMDVPQONLSJ-BHDSKKPTSA-N	1	3	313.402	-1.706	20	0		DAADHO
CCOC(=O)C[C@@]1([N-]S(=O)(=O)[C@@H]2CC[NH2+]C2)CC[NH2+]C1	ZINC001238220489	780436267	/nfs/dbraw/zinc/43/62/67/780436267.db2.gz	LASOYWHXNLBOGX-PWSUYJOCSA-N	1	3	305.400	-1.047	20	0		DAADHO
O=S(=O)(NCc1nnn2c1CNCCC2)C1CC[NH2+]CC1	ZINC001238248187	780436597	/nfs/dbraw/zinc/43/65/97/780436597.db2.gz	QOZMFQVDWMQTKB-UHFFFAOYSA-N	1	3	314.415	-1.057	20	0		DAADHO
O=S(=O)([C@H]1CC[NH2+]C1)N1CCOC[C@]2(CNCCO2)C1	ZINC001238999249	780440552	/nfs/dbraw/zinc/44/05/52/780440552.db2.gz	HZOKQWFOGFEHHM-RYUDHWBXSA-N	1	3	305.400	-1.631	20	0		DAADHO
O=S(=O)([C@H]1CC[NH2+]C1)N1CCOC[C@@]2(CNCCO2)C1	ZINC001238999247	780441393	/nfs/dbraw/zinc/44/13/93/780441393.db2.gz	HZOKQWFOGFEHHM-NWDGAFQWSA-N	1	3	305.400	-1.631	20	0		DAADHO
COC(=O)[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@H]1N	ZINC001239132995	780443944	/nfs/dbraw/zinc/44/39/44/780443944.db2.gz	AULFYQMNXDBEQD-GHMZBOCLSA-N	1	3	305.400	-1.252	20	0		DAADHO
COC(=O)[C@H]1C[C@H](NCCOCCOCCOCC[NH3+])CN1	ZINC001246289193	780452381	/nfs/dbraw/zinc/45/23/81/780452381.db2.gz	NVGSNLHBBJJXKX-QWHCGFSZSA-N	1	3	319.402	-1.512	20	0		DAADHO
O=C([C@@H]1C[C@@H](N2CC3(C2)CNCCO3)C[NH2+]1)N1CCSC1	ZINC001246625627	780455992	/nfs/dbraw/zinc/45/59/92/780455992.db2.gz	SXTGIWDDWXTAOR-NEPJUHHUSA-N	1	3	312.439	-1.076	20	0		DAADHO
O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1C[NH2+]CC[C@@H]1F)O3	ZINC001247007125	780458643	/nfs/dbraw/zinc/45/86/43/780458643.db2.gz	BNGIAVCDENVABY-DGORSVRFSA-N	1	3	305.375	-1.169	20	0		DAADHO
O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CC[NH2+]C[C@@H]1F)O3	ZINC001247012882	780459199	/nfs/dbraw/zinc/45/91/99/780459199.db2.gz	UZQABXDVOFQANN-LVEVGFFFSA-N	1	3	305.375	-1.169	20	0		DAADHO
O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1CC[NH2+]C[C@H]1F)O3	ZINC001247012606	780459766	/nfs/dbraw/zinc/45/97/66/780459766.db2.gz	UZQABXDVOFQANN-GCHJQGSQSA-N	1	3	305.375	-1.169	20	0		DAADHO
COCCCN(C)CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1	ZINC001262067117	780566805	/nfs/dbraw/zinc/56/68/05/780566805.db2.gz	SOZNMKYGOOOSJU-TXEJJXNPSA-N	1	3	300.403	-1.076	20	0		DAADHO
O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCNCCNCC1	ZINC001262544791	780574528	/nfs/dbraw/zinc/57/45/28/780574528.db2.gz	KPXBHLWEUVUVIB-KGLIPLIRSA-N	1	3	323.441	-1.249	20	0		DAADHO
O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCNCCNCC1	ZINC001262544791	780574534	/nfs/dbraw/zinc/57/45/34/780574534.db2.gz	KPXBHLWEUVUVIB-KGLIPLIRSA-N	1	3	323.441	-1.249	20	0		DAADHO
CN(C[C@H](O)C[NH2+]CCN1CCCC1=O)C(=O)Cc1c[nH]cn1	ZINC001284447148	780817320	/nfs/dbraw/zinc/81/73/20/780817320.db2.gz	RDMZEBMRDFNHKT-CYBMUJFWSA-N	1	3	323.397	-1.017	20	0		DAADHO
NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1	ZINC001091150829	781379032	/nfs/dbraw/zinc/37/90/32/781379032.db2.gz	AWXTVWIYMPQGFQ-PCPABOIYSA-N	1	3	322.409	-1.181	20	0		DAADHO
N[C@@H](CSCC[NH3+])C(=O)N1CCN2C(=O)COC[C@H]2C1	ZINC001160791212	781406599	/nfs/dbraw/zinc/40/65/99/781406599.db2.gz	ZIXCRDLDTVPVGU-ZJUUUORDSA-N	1	3	302.400	-1.925	20	0		DAADHO
C[NH+](C)CCOCC(=O)NCCN[C@@H]1CCC(=O)NC1=O	ZINC001147848916	781458205	/nfs/dbraw/zinc/45/82/05/781458205.db2.gz	YUMFXRNYLLKZSJ-SNVBAGLBSA-N	1	3	300.359	-1.924	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)COCC[NH+](C)C	ZINC001147892927	781458509	/nfs/dbraw/zinc/45/85/09/781458509.db2.gz	KZZOIBBSDFLEGH-SNVBAGLBSA-N	1	3	317.390	-1.886	20	0		DAADHO
C[N@@H+]1CC[C@@H](CC(=O)NCCNCCNS(C)(=O)=O)C1	ZINC001147893356	781458779	/nfs/dbraw/zinc/45/87/79/781458779.db2.gz	OQLRTCSYWWCJGQ-NSHDSACASA-N	1	3	306.432	-1.417	20	0		DAADHO
C[N@H+]1CC[C@@H](CC(=O)NCCNCCNS(C)(=O)=O)C1	ZINC001147893356	781458781	/nfs/dbraw/zinc/45/87/81/781458781.db2.gz	OQLRTCSYWWCJGQ-NSHDSACASA-N	1	3	306.432	-1.417	20	0		DAADHO
CN1CCC[C@@H](NCCNC(=O)COCC[NH+](C)C)C1=O	ZINC001147848407	781458992	/nfs/dbraw/zinc/45/89/92/781458992.db2.gz	NQIFKSSCYCHFSK-GFCCVEGCSA-N	1	3	300.403	-1.109	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1	ZINC001147899982	781460720	/nfs/dbraw/zinc/46/07/20/781460720.db2.gz	FTMFXFRYTCRGAL-MNOVXSKESA-N	1	3	313.402	-1.122	20	0		DAADHO
CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC001147899982	781460722	/nfs/dbraw/zinc/46/07/22/781460722.db2.gz	FTMFXFRYTCRGAL-MNOVXSKESA-N	1	3	313.402	-1.122	20	0		DAADHO
CS(=O)(=O)NCCNCCNC(=O)C12CC[NH+](CC1)C2	ZINC001147994915	781463514	/nfs/dbraw/zinc/46/35/14/781463514.db2.gz	VGLVBWJABZQCRF-UHFFFAOYSA-N	1	3	304.416	-1.663	20	0		DAADHO
CCCN(C)CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O	ZINC001148639078	781476790	/nfs/dbraw/zinc/47/67/90/781476790.db2.gz	ZSHNGRGUTCGCED-UHFFFAOYSA-N	1	3	308.448	-1.075	20	0		DAADHO
CC(C)N(C)CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O	ZINC001176975731	781628784	/nfs/dbraw/zinc/62/87/84/781628784.db2.gz	WBUWNZYLPKMERE-UHFFFAOYSA-N	1	3	313.402	-1.026	20	0		DAADHO
C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)C12CC[NH+](CC1)C2	ZINC001179929353	781665566	/nfs/dbraw/zinc/66/55/66/781665566.db2.gz	JWENZDABPRYMMV-QWRGUYRKSA-N	1	3	323.397	-1.144	20	0		DAADHO
CS(=O)(=O)N(CC[NH3+])C(=O)CCN1CCC(C(N)=O)CC1	ZINC001180607926	781676434	/nfs/dbraw/zinc/67/64/34/781676434.db2.gz	OHDNCAIHYKMIBX-UHFFFAOYSA-N	1	3	320.415	-1.679	20	0		DAADHO
CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001151044065	781687875	/nfs/dbraw/zinc/68/78/75/781687875.db2.gz	NEZYGOIHQZFOBO-GHMZBOCLSA-N	1	3	313.402	-1.122	20	0		DAADHO
CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001151044065	781687880	/nfs/dbraw/zinc/68/78/80/781687880.db2.gz	NEZYGOIHQZFOBO-GHMZBOCLSA-N	1	3	313.402	-1.122	20	0		DAADHO
COCCCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1	ZINC001151049514	781689366	/nfs/dbraw/zinc/68/93/66/781689366.db2.gz	RALJYJNFBBZJJX-LBPRGKRZSA-N	1	3	300.403	-1.203	20	0		DAADHO
COCCCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1	ZINC001151049514	781689374	/nfs/dbraw/zinc/68/93/74/781689374.db2.gz	RALJYJNFBBZJJX-LBPRGKRZSA-N	1	3	300.403	-1.203	20	0		DAADHO
COCCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1	ZINC001151049513	781689763	/nfs/dbraw/zinc/68/97/63/781689763.db2.gz	RALJYJNFBBZJJX-GFCCVEGCSA-N	1	3	300.403	-1.203	20	0		DAADHO
COCCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1	ZINC001151049513	781689767	/nfs/dbraw/zinc/68/97/67/781689767.db2.gz	RALJYJNFBBZJJX-GFCCVEGCSA-N	1	3	300.403	-1.203	20	0		DAADHO
CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1	ZINC001181652097	781690930	/nfs/dbraw/zinc/69/09/30/781690930.db2.gz	ISYSTOZHXCAYHM-GHMZBOCLSA-N	1	3	311.386	-1.273	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1	ZINC001185248287	781757726	/nfs/dbraw/zinc/75/77/26/781757726.db2.gz	BDQKVZHOWNRHNT-LLVKDONJSA-N	1	3	313.402	-1.026	20	0		DAADHO
C[NH+](C)CCOCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1	ZINC001187115880	781795411	/nfs/dbraw/zinc/79/54/11/781795411.db2.gz	UVCFIIUZQADGQV-SNVBAGLBSA-N	1	3	315.374	-2.050	20	0		DAADHO
NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001187122096	781795559	/nfs/dbraw/zinc/79/55/59/781795559.db2.gz	OPYXYEDQQPTYMG-SNVBAGLBSA-N	1	3	309.370	-1.532	20	0		DAADHO
C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)C1	ZINC001187083347	781795878	/nfs/dbraw/zinc/79/58/78/781795878.db2.gz	FJKARKLRTPEILX-WDEREUQCSA-N	1	3	311.386	-1.286	20	0		DAADHO
C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)C1	ZINC001187083347	781795883	/nfs/dbraw/zinc/79/58/83/781795883.db2.gz	FJKARKLRTPEILX-WDEREUQCSA-N	1	3	311.386	-1.286	20	0		DAADHO
CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC001187122715	781795985	/nfs/dbraw/zinc/79/59/85/781795985.db2.gz	ZTEZVNFJXVGMPV-LLVKDONJSA-N	1	3	323.397	-1.272	20	0		DAADHO
CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1	ZINC001187291230	781797003	/nfs/dbraw/zinc/79/70/03/781797003.db2.gz	NUFLBLKXNGVTIM-LLVKDONJSA-N	1	3	313.402	-1.026	20	0		DAADHO