smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cn2cc(C(=O)NC[C@H](O)CN3CC[NH2+]CC3)ccc2[nH+]1	ZINC000082170588	185174271	/nfs/dbraw/zinc/17/42/71/185174271.db2.gz	FIQDBINKVANVTI-AWEZNQCLSA-N	2	2	317.393	-0.361	50	0		DBAALP
Nc1nc(N2CC[NH2+][C@@H](C(=O)NCc3ccccn3)C2)cc[nH+]1	ZINC000072146832	191053869	/nfs/dbraw/zinc/05/38/69/191053869.db2.gz	UQWWNUZACXTGMM-GFCCVEGCSA-N	2	2	313.365	-0.452	50	0		DBAALP
CS(=O)(=O)NC1CC[NH+](Cc2cc3n(n2)CC[NH2+]C3)CC1	ZINC000072158662	191060531	/nfs/dbraw/zinc/06/05/31/191060531.db2.gz	GCVYURJVSOIIIQ-UHFFFAOYSA-N	2	2	313.427	-0.500	50	0		DBAALP
Cn1ncc(N2CC[NH+](C[C@]3(O)CCC[NH2+]C3)CC2)cc1=O	ZINC000072412057	191156010	/nfs/dbraw/zinc/15/60/10/191156010.db2.gz	YLRLTUOLVXFOJW-HNNXBMFYSA-N	2	2	307.398	-0.983	50	0		DBAALP
[NH3+]CCn1cc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)nn1	ZINC000077337588	374492487	/nfs/dbraw/zinc/49/24/87/374492487.db2.gz	UYSPEWUROGIKQJ-GFCCVEGCSA-N	2	2	308.386	-0.826	50	0		DBAALP
NC(=O)c1cccnc1N1CC[NH+](C[C@]2(O)CC[NH2+]C2)CC1	ZINC000077423102	374721943	/nfs/dbraw/zinc/72/19/43/374721943.db2.gz	FVIGDFKYULHCCX-HNNXBMFYSA-N	2	2	305.382	-0.973	50	0		DBAALP
C[NH+]1CCC([N@@H+]2CCN(C(=O)c3cn[nH]c3)C[C@@H](O)C2)CC1	ZINC000097776193	374877736	/nfs/dbraw/zinc/87/77/36/374877736.db2.gz	LUGAFKWUMCJXEQ-AWEZNQCLSA-N	2	2	307.398	-0.377	50	0		DBAALP
O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[NH+](CCOc2ccccc2)CC1	ZINC000238011278	375047970	/nfs/dbraw/zinc/04/79/70/375047970.db2.gz	ZEQWSQRUMWHHBR-ZBFHGGJFSA-N	2	2	319.405	-0.068	50	0		DBAALP
C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1[nH]nc2c1C[N@H+](C)CC2	ZINC000219938372	376633798	/nfs/dbraw/zinc/63/37/98/376633798.db2.gz	SGMZFPFZYYWINO-OCCNTAHWSA-N	2	2	319.409	-0.155	50	0		DBAALP
C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1[nH]nc2c1C[N@@H+](C)CC2	ZINC000219938372	376633808	/nfs/dbraw/zinc/63/38/08/376633808.db2.gz	SGMZFPFZYYWINO-OCCNTAHWSA-N	2	2	319.409	-0.155	50	0		DBAALP
[NH3+][C@H]1C[C@@H](c2cc(NCCC[N@@H+]3CCNC(=O)C3)ncn2)C1	ZINC000244626512	377099306	/nfs/dbraw/zinc/09/93/06/377099306.db2.gz	FNCRABPFZNVRTF-TXEJJXNPSA-N	2	2	304.398	-0.085	50	0		DBAALP
[NH3+][C@H]1C[C@@H](c2cc(NCCC[N@H+]3CCNC(=O)C3)ncn2)C1	ZINC000244626512	377099317	/nfs/dbraw/zinc/09/93/17/377099317.db2.gz	FNCRABPFZNVRTF-TXEJJXNPSA-N	2	2	304.398	-0.085	50	0		DBAALP
CC[N@@H+]1CCC[C@@H]1CNc1c(=O)c(=O)c1N1CC[NH+](C)CC1	ZINC000101683150	378589644	/nfs/dbraw/zinc/58/96/44/378589644.db2.gz	UEKGUCQSORPCIZ-GFCCVEGCSA-N	2	2	306.410	-0.069	50	0		DBAALP
CC[N@H+]1CCC[C@@H]1CNc1c(=O)c(=O)c1N1CC[NH+](C)CC1	ZINC000101683150	378589646	/nfs/dbraw/zinc/58/96/46/378589646.db2.gz	UEKGUCQSORPCIZ-GFCCVEGCSA-N	2	2	306.410	-0.069	50	0		DBAALP
C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3nn[nH]n3)C2)CC1	ZINC000426716891	257243575	/nfs/dbraw/zinc/24/35/75/257243575.db2.gz	ODMBTJNCSZVRQW-LBPRGKRZSA-N	2	2	321.429	-0.335	50	0		DBAALP
C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCCc3nn[nH]n3)C2)CC1	ZINC000426716891	257243576	/nfs/dbraw/zinc/24/35/76/257243576.db2.gz	ODMBTJNCSZVRQW-LBPRGKRZSA-N	2	2	321.429	-0.335	50	0		DBAALP
OCCNc1nc(NCCn2cc[nH+]c2)cc([C@@H]2CCOC2)[nH+]1	ZINC000426634106	257245516	/nfs/dbraw/zinc/24/55/16/257245516.db2.gz	FAEJWPXBRXWEFD-GFCCVEGCSA-N	2	2	318.381	-0.463	50	0		DBAALP
CC[NH+]1CCN(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)CC1	ZINC000067934255	803783875	/nfs/dbraw/zinc/78/38/75/803783875.db2.gz	TTYXMWUQCMQWTF-UHFFFAOYSA-N	2	2	316.471	-0.056	50	0		DBAALP
Cc1nc2c(c(N3C[C@H](O)[C@@H](N4CC[NH+](C)CC4)C3)n1)C[NH2+]C2	ZINC000072144549	191051848	/nfs/dbraw/zinc/05/18/48/191051848.db2.gz	GYGAIKMWGCEADU-GJZGRUSLSA-N	2	2	318.425	-0.815	50	0		DBAALP
CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[N@H+](C)Cc1cccnc1	ZINC000067713249	374665603	/nfs/dbraw/zinc/66/56/03/374665603.db2.gz	HDUVSGCPWYYTTD-OLZOCXBDSA-N	2	2	305.382	-0.812	50	0		DBAALP
CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[N@@H+](C)Cc1cccnc1	ZINC000067713249	374665611	/nfs/dbraw/zinc/66/56/11/374665611.db2.gz	HDUVSGCPWYYTTD-OLZOCXBDSA-N	2	2	305.382	-0.812	50	0		DBAALP
Cn1c(CN2CCOCC2)nnc1C1CC[NH+](CC[NH3+])CC1	ZINC000077388168	374719654	/nfs/dbraw/zinc/71/96/54/374719654.db2.gz	KOSCWWDXFCEGLI-UHFFFAOYSA-N	2	2	308.430	-0.215	50	0		DBAALP
O[C@]1(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C[NH2+]CCOC1	ZINC000077469731	374720870	/nfs/dbraw/zinc/72/08/70/374720870.db2.gz	ZTRIAPRKJJGPRV-AWEZNQCLSA-N	2	2	304.354	-0.693	50	0		DBAALP
COc1cc2c(cc1C[NH2+]C[C@@]1(O)C[NH2+]CCOC1)OCCO2	ZINC000077423181	374721210	/nfs/dbraw/zinc/72/12/10/374721210.db2.gz	VHMBTGUIKITKSI-INIZCTEOSA-N	2	2	324.377	-0.093	50	0		DBAALP
O[C@@]1(C[NH2+]CCc2nc(-c3cccnc3)n[nH]2)C[NH2+]CCOC1	ZINC000077505734	374721321	/nfs/dbraw/zinc/72/13/21/374721321.db2.gz	LSLQWPIWOJTNGU-HNNXBMFYSA-N	2	2	318.381	-0.650	50	0		DBAALP
O[C@@]1(C[NH2+]CCc2nnc(-c3cccnc3)[nH]2)C[NH2+]CCOC1	ZINC000077505734	374721332	/nfs/dbraw/zinc/72/13/32/374721332.db2.gz	LSLQWPIWOJTNGU-HNNXBMFYSA-N	2	2	318.381	-0.650	50	0		DBAALP
Cn1c2ccc(C[NH2+]C[C@]3(O)C[NH2+]CCOC3)cc2n(C)c1=O	ZINC000077487496	374721496	/nfs/dbraw/zinc/72/14/96/374721496.db2.gz	POLUPOUBJJIFCE-MRXNPFEDSA-N	2	2	320.393	-0.683	50	0		DBAALP
CC[N@H+](C)CCC[NH+]1CCN(c2cc(=O)[nH]cn2)C[C@H](O)C1	ZINC000097766813	374876469	/nfs/dbraw/zinc/87/64/69/374876469.db2.gz	FLYSXVKPNFMYJG-CYBMUJFWSA-N	2	2	309.414	-0.405	50	0		DBAALP
CC[N@@H+](C)CCC[NH+]1CCN(c2cc(=O)[nH]cn2)C[C@H](O)C1	ZINC000097766813	374876471	/nfs/dbraw/zinc/87/64/71/374876471.db2.gz	FLYSXVKPNFMYJG-CYBMUJFWSA-N	2	2	309.414	-0.405	50	0		DBAALP
CC[NH+](C)CCC[N@@H+]1CCN(c2cc(=O)[nH]cn2)C[C@H](O)C1	ZINC000097766813	374876474	/nfs/dbraw/zinc/87/64/74/374876474.db2.gz	FLYSXVKPNFMYJG-CYBMUJFWSA-N	2	2	309.414	-0.405	50	0		DBAALP
C[C@H](O)C[NH+]1CCN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000248264671	375072670	/nfs/dbraw/zinc/07/26/70/375072670.db2.gz	CYZCTXFFPOVFLI-VGWMRTNUSA-N	2	2	315.458	-0.545	50	0		DBAALP
CCC[N@H+](CCO)CC(=O)NCC(C)(C)[NH+]1CCOCC1	ZINC000053094495	378333924	/nfs/dbraw/zinc/33/39/24/378333924.db2.gz	VLGXVUCKDSMSLR-UHFFFAOYSA-N	2	2	301.431	-0.082	50	0		DBAALP
CCC[N@@H+](CCO)CC(=O)NCC(C)(C)[NH+]1CCOCC1	ZINC000053094495	378333927	/nfs/dbraw/zinc/33/39/27/378333927.db2.gz	VLGXVUCKDSMSLR-UHFFFAOYSA-N	2	2	301.431	-0.082	50	0		DBAALP
CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH+](C[C@@H](C)O)CC2)CC1	ZINC000069697317	382687366	/nfs/dbraw/zinc/68/73/66/382687366.db2.gz	PZULIVSWYARSAI-HUUCEWRRSA-N	2	2	312.458	-0.463	50	0		DBAALP
C[NH+]1CCN(c2cc([C@H]3CCOC3)[nH+]c(NCCO)n2)CC1	ZINC000426389489	412308307	/nfs/dbraw/zinc/30/83/07/412308307.db2.gz	RRZFONBZZMNCQS-LBPRGKRZSA-N	2	2	307.398	0.137	50	0		DBAALP
CN(Cc1nc(-c2cccnc2)no1)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1	ZINC000071278964	563498164	/nfs/dbraw/zinc/49/81/64/563498164.db2.gz	YGBIWLVDVKQGBT-MNOVXSKESA-N	2	2	302.338	-0.221	50	0		DBAALP
CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1	ZINC000320882325	671477862	/nfs/dbraw/zinc/47/78/62/671477862.db2.gz	SZYNBYQJAHGHFB-AWEZNQCLSA-N	2	2	322.453	-0.001	50	0		DBAALP
CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1	ZINC000320882325	671477865	/nfs/dbraw/zinc/47/78/65/671477865.db2.gz	SZYNBYQJAHGHFB-AWEZNQCLSA-N	2	2	322.453	-0.001	50	0		DBAALP
CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1	ZINC000320882326	671478100	/nfs/dbraw/zinc/47/81/00/671478100.db2.gz	SZYNBYQJAHGHFB-CQSZACIVSA-N	2	2	322.453	-0.001	50	0		DBAALP
CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1	ZINC000320882326	671478103	/nfs/dbraw/zinc/47/81/03/671478103.db2.gz	SZYNBYQJAHGHFB-CQSZACIVSA-N	2	2	322.453	-0.001	50	0		DBAALP
C[N@H+](C[C@H](O)C[NH+]1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC1	ZINC000952876556	809008001	/nfs/dbraw/zinc/00/80/01/809008001.db2.gz	BABHPHWXDKUHNZ-GJZGRUSLSA-N	3	2	312.458	-0.239	50	0		DBAALP
C[N@@H+](C[C@H](O)C[NH+]1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC1	ZINC000952876556	809008008	/nfs/dbraw/zinc/00/80/08/809008008.db2.gz	BABHPHWXDKUHNZ-GJZGRUSLSA-N	3	2	312.458	-0.239	50	0		DBAALP
C[NH+](C[C@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC1	ZINC000952876556	809008015	/nfs/dbraw/zinc/00/80/15/809008015.db2.gz	BABHPHWXDKUHNZ-GJZGRUSLSA-N	3	2	312.458	-0.239	50	0		DBAALP
C[NH+](C[C@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC1	ZINC000952876556	809008022	/nfs/dbraw/zinc/00/80/22/809008022.db2.gz	BABHPHWXDKUHNZ-GJZGRUSLSA-N	3	2	312.458	-0.239	50	0		DBAALP
Cn1nc(C(=O)NCCC[NH+]2CCOCC2)c2c1CC[NH2+]C2	ZINC000082807473	185205789	/nfs/dbraw/zinc/20/57/89/185205789.db2.gz	AISBUGFJDUBJDV-UHFFFAOYSA-N	2	2	307.398	-0.482	50	0		DBAALP
Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](CCO)C1	ZINC000072436687	374696893	/nfs/dbraw/zinc/69/68/93/374696893.db2.gz	RMLBONHOKIIIFB-CYBMUJFWSA-N	2	2	323.441	-0.057	50	0		DBAALP
O=C(NCCc1[nH]cc[nH+]1)c1cn(C[C@H]2CCC[NH2+]C2)nn1	ZINC000067878171	374666626	/nfs/dbraw/zinc/66/66/26/374666626.db2.gz	POGSAVSRCKPCGY-NSHDSACASA-N	2	2	303.370	-0.027	50	0		DBAALP
Cn1nnnc1SCCNc1cc(C2CC([NH3+])C2)[nH+]c(N)n1	ZINC000223729581	376730481	/nfs/dbraw/zinc/73/04/81/376730481.db2.gz	ZFSGOLFDZVBPRL-UHFFFAOYSA-N	2	2	321.414	-0.009	50	0		DBAALP
C[C@]1(C2CC[NH2+]CC2)NC(=O)N(CC[NH+]2CCOCC2)C1=O	ZINC000299800293	378054036	/nfs/dbraw/zinc/05/40/36/378054036.db2.gz	WMLZZFWRZDFFIN-OAHLLOKOSA-N	2	2	310.398	-0.371	50	0		DBAALP
O=C(NCCc1c[nH+]c[nH]1)[C@@]12C[NH2+]C[C@@H]1CN(C(=O)C1CC1)C2	ZINC000065409503	184340371	/nfs/dbraw/zinc/34/03/71/184340371.db2.gz	LPMOOQVTTSRBHV-MLGOLLRUSA-N	2	2	317.393	-0.474	50	0		DBAALP
O=C(NCCc1c[nH]c[nH+]1)[C@@]12C[NH2+]C[C@@H]1CN(C(=O)C1CC1)C2	ZINC000065409503	184340373	/nfs/dbraw/zinc/34/03/73/184340373.db2.gz	LPMOOQVTTSRBHV-MLGOLLRUSA-N	2	2	317.393	-0.474	50	0		DBAALP
CC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](C[C@H](C)O)CC2)CC1	ZINC000069697323	382687303	/nfs/dbraw/zinc/68/73/03/382687303.db2.gz	PZULIVSWYARSAI-GJZGRUSLSA-N	2	2	312.458	-0.463	50	0		DBAALP
Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1	ZINC000329459439	544483106	/nfs/dbraw/zinc/48/31/06/544483106.db2.gz	RMVHOUICVACCQY-LLVKDONJSA-N	2	2	303.366	-0.193	50	0		DBAALP
Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1	ZINC000329459439	544483110	/nfs/dbraw/zinc/48/31/10/544483110.db2.gz	RMVHOUICVACCQY-LLVKDONJSA-N	2	2	303.366	-0.193	50	0		DBAALP
C[NH+]1CCN(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1	ZINC000534649947	334311315	/nfs/dbraw/zinc/31/13/15/334311315.db2.gz	SMERBFUOODQTNT-ZDUSSCGKSA-N	2	2	304.460	-0.200	50	0		DBAALP
C[NH+]1CCN(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000534649947	334311316	/nfs/dbraw/zinc/31/13/16/334311316.db2.gz	SMERBFUOODQTNT-ZDUSSCGKSA-N	2	2	304.460	-0.200	50	0		DBAALP
C[NH+](C)C[C@]1(O)CCN(C(=O)c2[nH]nc3c2C[N@H+](C)CC3)C1	ZINC000072149768	563502779	/nfs/dbraw/zinc/50/27/79/563502779.db2.gz	GYUSGYJRSBHKPZ-OAHLLOKOSA-N	2	2	307.398	-0.464	50	0		DBAALP
C[NH+](C)C[C@]1(O)CCN(C(=O)c2[nH]nc3c2C[N@@H+](C)CC3)C1	ZINC000072149768	563502783	/nfs/dbraw/zinc/50/27/83/563502783.db2.gz	GYUSGYJRSBHKPZ-OAHLLOKOSA-N	2	2	307.398	-0.464	50	0		DBAALP
C[N@H+](C[C@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC1	ZINC000952876555	809007746	/nfs/dbraw/zinc/00/77/46/809007746.db2.gz	BABHPHWXDKUHNZ-CABCVRRESA-N	3	2	312.458	-0.239	50	0		DBAALP
C[N@@H+](C[C@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC1	ZINC000952876555	809007754	/nfs/dbraw/zinc/00/77/54/809007754.db2.gz	BABHPHWXDKUHNZ-CABCVRRESA-N	3	2	312.458	-0.239	50	0		DBAALP
C[NH+](C[C@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC1	ZINC000952876555	809007762	/nfs/dbraw/zinc/00/77/62/809007762.db2.gz	BABHPHWXDKUHNZ-CABCVRRESA-N	3	2	312.458	-0.239	50	0		DBAALP
C[NH+](C[C@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC1	ZINC000952876555	809007773	/nfs/dbraw/zinc/00/77/73/809007773.db2.gz	BABHPHWXDKUHNZ-CABCVRRESA-N	3	2	312.458	-0.239	50	0		DBAALP
CS(=O)(=O)CC[NH+]1CCC(N2CC[NH+](CCO)CC2)CC1	ZINC001529161234	1014526353	/nfs/dbraw/zinc/52/63/53/1014526353.db2.gz	DIPVBLDRDZLRHY-UHFFFAOYSA-N	2	2	319.471	-0.895	50	0		DBAALP
C[NH+]1CCN(c2cc(N3CCC[C@@](O)(CO)C3)[nH+]c(N)n2)CC1	ZINC000072462534	191172137	/nfs/dbraw/zinc/17/21/37/191172137.db2.gz	WXBXEXVQJIBJFE-HNNXBMFYSA-N	2	2	322.413	-0.866	50	0		DBAALP
[NH3+]CC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH+]c[nH]2)C1	ZINC000072456590	191173329	/nfs/dbraw/zinc/17/33/29/191173329.db2.gz	FYNLXVDFVLKYKW-WCQYABFASA-N	2	2	305.382	-0.250	50	0		DBAALP
[NH3+]CC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH]c[nH+]2)C1	ZINC000072456590	191173331	/nfs/dbraw/zinc/17/33/31/191173331.db2.gz	FYNLXVDFVLKYKW-WCQYABFASA-N	2	2	305.382	-0.250	50	0		DBAALP
CN(C)c1ncc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+](C)CCO)C2)cn1	ZINC000091950773	193130435	/nfs/dbraw/zinc/13/04/35/193130435.db2.gz	ASCZDWXSYVJILD-HUUCEWRRSA-N	2	2	323.441	-0.493	50	0		DBAALP
CN(C)c1ncc(C[N@H+]2C[C@H](CO)[C@H](C[NH+](C)CCO)C2)cn1	ZINC000091950773	193130436	/nfs/dbraw/zinc/13/04/36/193130436.db2.gz	ASCZDWXSYVJILD-HUUCEWRRSA-N	2	2	323.441	-0.493	50	0		DBAALP
CN(C)c1ncc(C[NH+]2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)cn1	ZINC000091950773	193130437	/nfs/dbraw/zinc/13/04/37/193130437.db2.gz	ASCZDWXSYVJILD-HUUCEWRRSA-N	2	2	323.441	-0.493	50	0		DBAALP
CN(C)c1ncc(C[NH+]2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)cn1	ZINC000091950773	193130438	/nfs/dbraw/zinc/13/04/38/193130438.db2.gz	ASCZDWXSYVJILD-HUUCEWRRSA-N	2	2	323.441	-0.493	50	0		DBAALP
Cc1cc(N2CC[NH+](C[C@@]3(O)CC[NH2+]C3)CC2)n2ncnc2n1	ZINC000077353875	374718799	/nfs/dbraw/zinc/71/87/99/374718799.db2.gz	NXBJDSLCRNXJEL-OAHLLOKOSA-N	2	2	317.397	-0.721	50	0		DBAALP
O=C(c1cccnc1)N1CCC([N@@H+]2CC[NH2+]C[C@H](O)C2)CC1	ZINC000097243809	374864724	/nfs/dbraw/zinc/86/47/24/374864724.db2.gz	YTEAOFPKJUNLHN-HNNXBMFYSA-N	2	2	304.394	-0.048	50	0		DBAALP
O=C(c1cccnc1)N1CCC([N@H+]2CC[NH2+]C[C@H](O)C2)CC1	ZINC000097243809	374864731	/nfs/dbraw/zinc/86/47/31/374864731.db2.gz	YTEAOFPKJUNLHN-HNNXBMFYSA-N	2	2	304.394	-0.048	50	0		DBAALP
O=C(N1CC[N@@H+](CCCO)C[C@@H](O)C1)C1(Cn2cc[nH+]c2)CC1	ZINC000097495371	374869834	/nfs/dbraw/zinc/86/98/34/374869834.db2.gz	BVDFCRVSKWDIQH-CQSZACIVSA-N	2	2	322.409	-0.449	50	0		DBAALP
O=C(N1CC[N@H+](CCCO)C[C@@H](O)C1)C1(Cn2cc[nH+]c2)CC1	ZINC000097495371	374869840	/nfs/dbraw/zinc/86/98/40/374869840.db2.gz	BVDFCRVSKWDIQH-CQSZACIVSA-N	2	2	322.409	-0.449	50	0		DBAALP
O=C(CN1CC[NH2+]CC1=O)N1CCC[C@H]1C[NH+]1CCCCC1	ZINC000238080152	375050580	/nfs/dbraw/zinc/05/05/80/375050580.db2.gz	YEDDGPFLLQLYOG-AWEZNQCLSA-N	2	2	308.426	-0.105	50	0		DBAALP
O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[NH+](CCOc2ccccc2)CC1	ZINC000238096097	375052474	/nfs/dbraw/zinc/05/24/74/375052474.db2.gz	ZEQWSQRUMWHHBR-GOEBONIOSA-N	2	2	319.405	-0.068	50	0		DBAALP
C[N@@H+]1CCC[C@@H](C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)C1	ZINC000065497917	184354995	/nfs/dbraw/zinc/35/49/95/184354995.db2.gz	MPWXDRWJYYRCEV-MRXNPFEDSA-N	2	2	324.469	-0.195	50	0		DBAALP
C[N@H+]1CCC[C@@H](C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)C1	ZINC000065497917	184354997	/nfs/dbraw/zinc/35/49/97/184354997.db2.gz	MPWXDRWJYYRCEV-MRXNPFEDSA-N	2	2	324.469	-0.195	50	0		DBAALP
C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000106869213	382367200	/nfs/dbraw/zinc/36/72/00/382367200.db2.gz	CYZCTXFFPOVFLI-CAOSSQGBSA-N	2	2	315.458	-0.545	50	0		DBAALP
O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)N1CC[NH+](CCO)CC1	ZINC000426712589	257243614	/nfs/dbraw/zinc/24/36/14/257243614.db2.gz	GPMRNLGUGIYVTE-CQSZACIVSA-N	2	2	321.425	-0.513	50	0		DBAALP
OCCNc1nc(NCC[NH+]2CCCC2)cc([C@@H]2CCOC2)[nH+]1	ZINC000426615368	257245099	/nfs/dbraw/zinc/24/50/99/257245099.db2.gz	FSYJCOVCSUNBCN-CYBMUJFWSA-N	2	2	321.425	-0.264	50	0		DBAALP
CN(C)CC[N@H+](C)C[C@@H]1CN(c2nc(N)cc[nH+]2)C[C@@H]1CO	ZINC000091906457	392486668	/nfs/dbraw/zinc/48/66/68/392486668.db2.gz	GYGCMZZCLNYFRZ-CHWSQXEVSA-N	2	2	308.430	-0.403	50	0		DBAALP
CN(C)CC[N@@H+](C)C[C@@H]1CN(c2nc(N)cc[nH+]2)C[C@@H]1CO	ZINC000091906457	392486672	/nfs/dbraw/zinc/48/66/72/392486672.db2.gz	GYGCMZZCLNYFRZ-CHWSQXEVSA-N	2	2	308.430	-0.403	50	0		DBAALP
CN(CC[NH+](C)C)C[C@@H]1CN(c2nc(N)cc[nH+]2)C[C@@H]1CO	ZINC000091906457	392486676	/nfs/dbraw/zinc/48/66/76/392486676.db2.gz	GYGCMZZCLNYFRZ-CHWSQXEVSA-N	2	2	308.430	-0.403	50	0		DBAALP
C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCc3ncnn3C2)C[C@H](C)O1	ZINC000075132572	337369039	/nfs/dbraw/zinc/36/90/39/337369039.db2.gz	BAHZSJICSPGHPE-XJFOESAGSA-N	2	2	309.414	-0.347	50	0		DBAALP
C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCc3ncnn3C2)C[C@H](C)O1	ZINC000075132572	337369040	/nfs/dbraw/zinc/36/90/40/337369040.db2.gz	BAHZSJICSPGHPE-XJFOESAGSA-N	2	2	309.414	-0.347	50	0		DBAALP
C[NH+]1CC23CN(Cc4cc5n(n4)CC[NH2+]C5)CC2(C1)C[NH+](C)C3	ZINC000072134639	563502488	/nfs/dbraw/zinc/50/24/88/563502488.db2.gz	ZWVGHAXJCNVGFG-UHFFFAOYSA-N	3	2	316.453	-0.335	50	0		DBAALP
CC(C)[NH+]1CCC(NS(=O)(=O)N2CC[NH+](C)CC2)CC1	ZINC000823791298	805242942	/nfs/dbraw/zinc/24/29/42/805242942.db2.gz	WIKUJQKYOZFACX-UHFFFAOYSA-N	2	2	304.460	-0.059	50	0		DBAALP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(N2CC[NH+](CCO)CC2)CC1	ZINC000952860287	809006906	/nfs/dbraw/zinc/00/69/06/809006906.db2.gz	KZWHQYMPCWIUGM-INIZCTEOSA-N	2	2	324.469	-0.319	50	0		DBAALP
C[N@H+]1CCC[C@H]1C(=O)N1CCC(N2CC[NH+](CCO)CC2)CC1	ZINC000952860287	809006915	/nfs/dbraw/zinc/00/69/15/809006915.db2.gz	KZWHQYMPCWIUGM-INIZCTEOSA-N	2	2	324.469	-0.319	50	0		DBAALP
Cc1nc2c(c(N3CC[NH+](CCOCCO)CC3)n1)C[NH2+]C2	ZINC000072154096	191059953	/nfs/dbraw/zinc/05/99/53/191059953.db2.gz	WPNMOBMLQKSNSC-UHFFFAOYSA-N	2	2	307.398	-0.481	50	0		DBAALP
Cc1cc(N2CCCN(C(=O)[C@@H]3C[NH2+]CC(=O)N3)CC2)cc[nH+]1	ZINC000077522028	374724538	/nfs/dbraw/zinc/72/45/38/374724538.db2.gz	MDKVXGOSSPLYNU-AWEZNQCLSA-N	2	2	317.393	-0.483	50	0		DBAALP
CCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)CC1	ZINC000072269670	374727576	/nfs/dbraw/zinc/72/75/76/374727576.db2.gz	YXNNMXAEPXRCHN-KGLIPLIRSA-N	2	2	310.398	-0.014	50	0		DBAALP
Cc1cc(N2CCC([NH2+]C[C@@H]3C[NH2+]CCO3)CC2)nc(N)[nH+]1	ZINC000095371048	374834089	/nfs/dbraw/zinc/83/40/89/374834089.db2.gz	SEQHHSUEYRIULA-ZDUSSCGKSA-N	3	2	306.414	-0.086	50	0		DBAALP
CCNc1cc[nH+]c(N2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)n1	ZINC000065435045	184344977	/nfs/dbraw/zinc/34/49/77/184344977.db2.gz	MJXHDFUCBZFEQX-STQMWFEESA-N	2	2	306.414	-0.295	50	0		DBAALP
O=C(NCCn1cc[nH+]c1)c1cn(C[C@H]2CCC[NH2+]C2)nn1	ZINC000065452509	184347035	/nfs/dbraw/zinc/34/70/35/184347035.db2.gz	NSNODQJRMWCGBV-LBPRGKRZSA-N	2	2	303.370	-0.096	50	0		DBAALP
CC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](C[C@@H](C)O)CC2)CC1	ZINC000069697319	382687384	/nfs/dbraw/zinc/68/73/84/382687384.db2.gz	PZULIVSWYARSAI-CABCVRRESA-N	2	2	312.458	-0.463	50	0		DBAALP
O=C(CN1CC[NH2+]CC1=O)N1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000238085037	257238010	/nfs/dbraw/zinc/23/80/10/257238010.db2.gz	QFZAYXVCQHOANX-CQSZACIVSA-N	2	2	308.426	-0.247	50	0		DBAALP
O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H](C[NH+]2CCCCC2)C1	ZINC000238084681	257238109	/nfs/dbraw/zinc/23/81/09/257238109.db2.gz	QFZAYXVCQHOANX-AWEZNQCLSA-N	2	2	308.426	-0.247	50	0		DBAALP
CN(Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)o1)S(C)(=O)=O	ZINC000426690322	257244064	/nfs/dbraw/zinc/24/40/64/257244064.db2.gz	POGZZFPPMHCUKP-CHWSQXEVSA-N	2	2	317.411	-0.435	50	0		DBAALP
CN(Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)o1)S(C)(=O)=O	ZINC000426690322	257244065	/nfs/dbraw/zinc/24/40/65/257244065.db2.gz	POGZZFPPMHCUKP-CHWSQXEVSA-N	2	2	317.411	-0.435	50	0		DBAALP
O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)NCC[NH+]1CCOCC1	ZINC000426623126	257244805	/nfs/dbraw/zinc/24/48/05/257244805.db2.gz	WLTRMGRQUFBKEE-CQSZACIVSA-N	2	2	321.425	-0.202	50	0		DBAALP
COCCc1nc(CNC(=O)C[N@H+](C)C2CC[NH2+]CC2)no1	ZINC000534576257	334287964	/nfs/dbraw/zinc/28/79/64/334287964.db2.gz	ZXJTYDAJQNMVKL-UHFFFAOYSA-N	2	2	311.386	-0.442	50	0		DBAALP
COCCc1nc(CNC(=O)C[N@@H+](C)C2CC[NH2+]CC2)no1	ZINC000534576257	334287966	/nfs/dbraw/zinc/28/79/66/334287966.db2.gz	ZXJTYDAJQNMVKL-UHFFFAOYSA-N	2	2	311.386	-0.442	50	0		DBAALP
Cc1cn2cc(C(=O)NC[C@@H](O)CN3CC[NH2+]CC3)ccc2[nH+]1	ZINC000082170592	185174329	/nfs/dbraw/zinc/17/43/29/185174329.db2.gz	FIQDBINKVANVTI-CQSZACIVSA-N	2	2	317.393	-0.361	50	0		DBAALP
C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cn3c(n2)C[NH2+]CC3)C1	ZINC000072131021	191045404	/nfs/dbraw/zinc/04/54/04/191045404.db2.gz	VUVOFPVJQKBOFW-OAHLLOKOSA-N	2	2	307.398	-0.485	50	0		DBAALP
O[C@H]1CN(c2ncnc3c2CC[NH2+]CC3)C[C@@H]1[NH+]1CCOCC1	ZINC000072458774	191173229	/nfs/dbraw/zinc/17/32/29/191173229.db2.gz	APXGOPAXGGDHJR-GJZGRUSLSA-N	2	2	319.409	-0.954	50	0		DBAALP
Cn1c(C[NH+]2CCC(O)CC2)nnc1C1CC[NH+](CCO)CC1	ZINC000077338086	374718518	/nfs/dbraw/zinc/71/85/18/374718518.db2.gz	DKFZQMVHQKQZIB-UHFFFAOYSA-N	2	2	323.441	-0.057	50	0		DBAALP
O=C(c1cccnc1)N1CCC([N@@H+]2CC[NH2+]C[C@@H](O)C2)CC1	ZINC000097243810	374864314	/nfs/dbraw/zinc/86/43/14/374864314.db2.gz	YTEAOFPKJUNLHN-OAHLLOKOSA-N	2	2	304.394	-0.048	50	0		DBAALP
O=C(c1cccnc1)N1CCC([N@H+]2CC[NH2+]C[C@@H](O)C2)CC1	ZINC000097243810	374864321	/nfs/dbraw/zinc/86/43/21/374864321.db2.gz	YTEAOFPKJUNLHN-OAHLLOKOSA-N	2	2	304.394	-0.048	50	0		DBAALP
C[N@H+](CC(=O)NCCc1noc(CO)n1)C1CC[NH+](C)CC1	ZINC000223230853	376721944	/nfs/dbraw/zinc/72/19/44/376721944.db2.gz	VGQZJSGMQVZQRD-UHFFFAOYSA-N	2	2	311.386	-0.753	50	0		DBAALP
O=C([C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1)N1CC[NH+](CCO)CC1	ZINC000314732037	378170527	/nfs/dbraw/zinc/17/05/27/378170527.db2.gz	NHBBAQAPDDOHJY-HNNXBMFYSA-N	3	2	310.442	-0.661	50	0		DBAALP
O=C([C@@H]1CCC[N@H+]1C1CC[NH2+]CC1)N1CC[NH+](CCO)CC1	ZINC000314732037	378170531	/nfs/dbraw/zinc/17/05/31/378170531.db2.gz	NHBBAQAPDDOHJY-HNNXBMFYSA-N	3	2	310.442	-0.661	50	0		DBAALP
C1CN2CC[NH+](CCO1)CCN1CCOCC[NH+](CC1)CC2	ZINC000032188409	382645746	/nfs/dbraw/zinc/64/57/46/382645746.db2.gz	SUWKJCHJZGCKIU-UHFFFAOYSA-N	2	2	312.458	-0.732	50	0		DBAALP
Cn1cc[nH+]c1CN1CC[NH+](CCC(=O)N2CCOCC2)CC1	ZINC000069452935	382680865	/nfs/dbraw/zinc/68/08/65/382680865.db2.gz	SEYNDRAZLWBKPF-UHFFFAOYSA-N	2	2	321.425	-0.213	50	0		DBAALP
C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3nn[nH]n3)C2)CC1	ZINC000426716890	257243510	/nfs/dbraw/zinc/24/35/10/257243510.db2.gz	ODMBTJNCSZVRQW-GFCCVEGCSA-N	2	2	321.429	-0.335	50	0		DBAALP
C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3nn[nH]n3)C2)CC1	ZINC000426716890	257243511	/nfs/dbraw/zinc/24/35/11/257243511.db2.gz	ODMBTJNCSZVRQW-GFCCVEGCSA-N	2	2	321.429	-0.335	50	0		DBAALP
O[C@H]1CN(c2ncnc3c2CC[NH2+]C3)C[C@@H]1[NH+]1CCOCC1	ZINC000067649182	296585272	/nfs/dbraw/zinc/58/52/72/296585272.db2.gz	KDEORYZOSKUSJZ-KBPBESRZSA-N	2	2	305.382	-0.996	50	0		DBAALP
C[NH+]1CCN(c2nc3nonc3nc2N2CC[NH+](C)CC2)CC1	ZINC000000236567	544467071	/nfs/dbraw/zinc/46/70/71/544467071.db2.gz	QVCKFMWZMITHFC-UHFFFAOYSA-N	2	2	318.385	-0.484	50	0		DBAALP
Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1	ZINC000329459440	544482055	/nfs/dbraw/zinc/48/20/55/544482055.db2.gz	RMVHOUICVACCQY-NSHDSACASA-N	2	2	303.366	-0.193	50	0		DBAALP
Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1	ZINC000329459440	544482061	/nfs/dbraw/zinc/48/20/61/544482061.db2.gz	RMVHOUICVACCQY-NSHDSACASA-N	2	2	303.366	-0.193	50	0		DBAALP
CC(C)C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1	ZINC000051768540	277404463	/nfs/dbraw/zinc/40/44/63/277404463.db2.gz	QQIGEQXALHTOCG-UHFFFAOYSA-N	2	2	304.460	-0.248	50	0		DBAALP
C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]2CCc3ncnn3C2)C[C@H](C)O1	ZINC000257364999	337383877	/nfs/dbraw/zinc/38/38/77/337383877.db2.gz	BAHZSJICSPGHPE-RFQIPJPRSA-N	2	2	309.414	-0.347	50	0		DBAALP
C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2CCc3ncnn3C2)C[C@H](C)O1	ZINC000257364999	337383878	/nfs/dbraw/zinc/38/38/78/337383878.db2.gz	BAHZSJICSPGHPE-RFQIPJPRSA-N	2	2	309.414	-0.347	50	0		DBAALP
CC(C)[C@H]1CN(c2cc(NCCO)[nH+]cn2)C[C@@H]1NC(=O)C[NH3+]	ZINC000091526763	664140734	/nfs/dbraw/zinc/14/07/34/664140734.db2.gz	VMDKHXRTBIAVHZ-NEPJUHHUSA-N	2	2	322.413	-0.584	50	0		DBAALP
Cc1c[nH+]ccc1N1CCCN(C(=O)[C@H]2C[NH2+]CC(=O)N2)CC1	ZINC000077504955	803794649	/nfs/dbraw/zinc/79/46/49/803794649.db2.gz	KSIHCVWYSUNYRB-CYBMUJFWSA-N	2	2	317.393	-0.483	50	0		DBAALP
CCC[N@@H+]1CCC[C@@H](NS(=O)(=O)N2CC[NH+](C)CC2)C1	ZINC000822922726	805217623	/nfs/dbraw/zinc/21/76/23/805217623.db2.gz	NTKSMMPKWZOZRF-CYBMUJFWSA-N	2	2	304.460	-0.057	50	0		DBAALP
CCC[N@H+]1CCC[C@@H](NS(=O)(=O)N2CC[NH+](C)CC2)C1	ZINC000822922726	805217631	/nfs/dbraw/zinc/21/76/31/805217631.db2.gz	NTKSMMPKWZOZRF-CYBMUJFWSA-N	2	2	304.460	-0.057	50	0		DBAALP
O=C(C[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1)NC1CC1	ZINC000095462333	185371063	/nfs/dbraw/zinc/37/10/63/185371063.db2.gz	JBXWABZAHBVEMG-IYBDPMFKSA-N	2	2	322.453	-0.254	50	0		DBAALP
O=C(C[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1)NC1CC1	ZINC000095462333	185371064	/nfs/dbraw/zinc/37/10/64/185371064.db2.gz	JBXWABZAHBVEMG-IYBDPMFKSA-N	2	2	322.453	-0.254	50	0		DBAALP
COc1ccnc(N2CC[NH+](C[C@@]3(O)CCC[NH2+]C3)CC2)n1	ZINC000072435045	191165759	/nfs/dbraw/zinc/16/57/59/191165759.db2.gz	UNCYDJTYAWUCTR-OAHLLOKOSA-N	2	2	307.398	-0.278	50	0		DBAALP
C[NH+]1CCN(c2cc(N3CCC[C@](O)(CO)C3)[nH+]c(N)n2)CC1	ZINC000072462533	191172916	/nfs/dbraw/zinc/17/29/16/191172916.db2.gz	WXBXEXVQJIBJFE-OAHLLOKOSA-N	2	2	322.413	-0.866	50	0		DBAALP
C[C@@H]1C[N@@H+](C2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)CCO1	ZINC000237397981	202255209	/nfs/dbraw/zinc/25/52/09/202255209.db2.gz	UDDJSJFEFXAULX-CYBMUJFWSA-N	2	2	324.425	-0.870	50	0		DBAALP
C[C@@H]1C[N@H+](C2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)CCO1	ZINC000237397981	202255212	/nfs/dbraw/zinc/25/52/12/202255212.db2.gz	UDDJSJFEFXAULX-CYBMUJFWSA-N	2	2	324.425	-0.870	50	0		DBAALP
C[NH+]1CCN(c2nc(N)nc(N3CC[NH+](C)CC3)c2C=O)CC1	ZINC000005698877	374275117	/nfs/dbraw/zinc/27/51/17/374275117.db2.gz	RSNRKLSKHYGPBW-UHFFFAOYSA-N	2	2	319.413	-0.625	50	0		DBAALP
O=C(NCCc1[nH]cc[nH+]1)c1cn(C[C@@H]2CCC[NH2+]C2)nn1	ZINC000067878168	374666950	/nfs/dbraw/zinc/66/69/50/374666950.db2.gz	POGSAVSRCKPCGY-LLVKDONJSA-N	2	2	303.370	-0.027	50	0		DBAALP
NC(=O)c1cccnc1N1CC[NH+](C[C@@]2(O)CC[NH2+]C2)CC1	ZINC000077423107	374722385	/nfs/dbraw/zinc/72/23/85/374722385.db2.gz	FVIGDFKYULHCCX-OAHLLOKOSA-N	2	2	305.382	-0.973	50	0		DBAALP
C[NH2+]CC(=O)N1CCC[C@@H](c2nnc(Cn3cc[nH+]c3)n2C)C1	ZINC000095363795	374835613	/nfs/dbraw/zinc/83/56/13/374835613.db2.gz	ILYLITPTXROIAG-GFCCVEGCSA-N	2	2	317.397	-0.015	50	0		DBAALP
O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[NH+](CCOc2ccccc2)CC1	ZINC000238098972	375049764	/nfs/dbraw/zinc/04/97/64/375049764.db2.gz	ZEQWSQRUMWHHBR-HOCLYGCPSA-N	2	2	319.405	-0.068	50	0		DBAALP
CNC(=O)C[NH+]1CCC(Nc2[nH+]cnc3c2cnn3C)CC1	ZINC000025579911	377272081	/nfs/dbraw/zinc/27/20/81/377272081.db2.gz	XRUOEQUNISIMTR-UHFFFAOYSA-N	2	2	303.370	-0.014	50	0		DBAALP
C[NH+](C)CCNc1c(=O)c(=O)c1NCCC[NH+]1CCOCC1	ZINC000101690023	378589814	/nfs/dbraw/zinc/58/98/14/378589814.db2.gz	TYXHNKUPKHOQNI-UHFFFAOYSA-N	2	2	310.398	-0.610	50	0		DBAALP
C[NH+]1CCc2n[nH]c(C(=O)N3CCN4CC[N@@H+](C)C[C@H]4C3)c2C1	ZINC000106703318	194244920	/nfs/dbraw/zinc/24/49/20/194244920.db2.gz	LCMFLCLIENVMSN-LBPRGKRZSA-N	2	2	318.425	-0.531	50	0		DBAALP
C[NH+]1CCc2n[nH]c(C(=O)N3CCN4CC[N@H+](C)C[C@H]4C3)c2C1	ZINC000106703318	194244921	/nfs/dbraw/zinc/24/49/21/194244921.db2.gz	LCMFLCLIENVMSN-LBPRGKRZSA-N	2	2	318.425	-0.531	50	0		DBAALP
C[NH+]1CCN2CCN(C(=O)c3[nH]nc4c3C[N@H+](C)CC4)C[C@@H]2C1	ZINC000106703318	194244923	/nfs/dbraw/zinc/24/49/23/194244923.db2.gz	LCMFLCLIENVMSN-LBPRGKRZSA-N	2	2	318.425	-0.531	50	0		DBAALP
C[NH+]1CCN2CCN(C(=O)c3[nH]nc4c3C[N@@H+](C)CC4)C[C@@H]2C1	ZINC000106703318	194244925	/nfs/dbraw/zinc/24/49/25/194244925.db2.gz	LCMFLCLIENVMSN-LBPRGKRZSA-N	2	2	318.425	-0.531	50	0		DBAALP
Cc1cc(C)n(C2C[NH+](C[C@H](O)CN3CC[NH+](C)CC3)C2)n1	ZINC000071880930	382696715	/nfs/dbraw/zinc/69/67/15/382696715.db2.gz	PUAZJTHPEUUQBB-MRXNPFEDSA-N	2	2	307.442	-0.035	50	0		DBAALP
OCCNc1nc(NCC[NH+]2CCCC2)cc([C@H]2CCOC2)[nH+]1	ZINC000426615369	257245334	/nfs/dbraw/zinc/24/53/34/257245334.db2.gz	FSYJCOVCSUNBCN-ZDUSSCGKSA-N	2	2	321.425	-0.264	50	0		DBAALP
Cc1ccc(C(N)=O)c(N2CCC3(CC2)[NH2+]CCNC3=O)[nH+]1	ZINC000067490265	392445495	/nfs/dbraw/zinc/44/54/95/392445495.db2.gz	QLZMMAYBWDHKDH-UHFFFAOYSA-N	2	2	303.366	-0.453	50	0		DBAALP
C[NH2+]CC(=O)N1CCC(c2nnc(C[N@H+](C)CCO)n2C)CC1	ZINC000077287138	563508685	/nfs/dbraw/zinc/50/86/85/563508685.db2.gz	MCPFPTGHRZWVGS-UHFFFAOYSA-N	2	2	324.429	-0.835	50	0		DBAALP
C[NH2+]CC(=O)N1CCC(c2nnc(C[N@@H+](C)CCO)n2C)CC1	ZINC000077287138	563508688	/nfs/dbraw/zinc/50/86/88/563508688.db2.gz	MCPFPTGHRZWVGS-UHFFFAOYSA-N	2	2	324.429	-0.835	50	0		DBAALP
C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC1	ZINC000952876558	809007650	/nfs/dbraw/zinc/00/76/50/809007650.db2.gz	BABHPHWXDKUHNZ-LSDHHAIUSA-N	3	2	312.458	-0.239	50	0		DBAALP
C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC1	ZINC000952876558	809007658	/nfs/dbraw/zinc/00/76/58/809007658.db2.gz	BABHPHWXDKUHNZ-LSDHHAIUSA-N	3	2	312.458	-0.239	50	0		DBAALP
C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC1	ZINC000952876558	809007666	/nfs/dbraw/zinc/00/76/66/809007666.db2.gz	BABHPHWXDKUHNZ-LSDHHAIUSA-N	3	2	312.458	-0.239	50	0		DBAALP
C[NH+](C[C@@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC1	ZINC000952876558	809007674	/nfs/dbraw/zinc/00/76/74/809007674.db2.gz	BABHPHWXDKUHNZ-LSDHHAIUSA-N	3	2	312.458	-0.239	50	0		DBAALP
C[C@H]1C[N@@H+](C2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)CCO1	ZINC000237600861	202299349	/nfs/dbraw/zinc/29/93/49/202299349.db2.gz	UDDJSJFEFXAULX-ZDUSSCGKSA-N	2	2	324.425	-0.870	50	0		DBAALP
C[C@H]1C[N@H+](C2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)CCO1	ZINC000237600861	202299353	/nfs/dbraw/zinc/29/93/53/202299353.db2.gz	UDDJSJFEFXAULX-ZDUSSCGKSA-N	2	2	324.425	-0.870	50	0		DBAALP
Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1	ZINC000237606359	202301282	/nfs/dbraw/zinc/30/12/82/202301282.db2.gz	CKZXABFFHIUQIS-AWEZNQCLSA-N	2	2	308.382	-0.076	50	0		DBAALP
O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCNC(=O)C1	ZINC000097200588	374758816	/nfs/dbraw/zinc/75/88/16/374758816.db2.gz	SCAQFANIPISTIO-CYBMUJFWSA-N	2	2	317.393	-0.226	50	0		DBAALP
O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCNC(=O)C1	ZINC000097200588	374758822	/nfs/dbraw/zinc/75/88/22/374758822.db2.gz	SCAQFANIPISTIO-CYBMUJFWSA-N	2	2	317.393	-0.226	50	0		DBAALP
Cc1cc(N2CC[NH+](C[C@]3(O)CC[NH2+]C3)CC2)n2ncnc2n1	ZINC000077353873	374718987	/nfs/dbraw/zinc/71/89/87/374718987.db2.gz	NXBJDSLCRNXJEL-HNNXBMFYSA-N	2	2	317.397	-0.721	50	0		DBAALP
C[NH+]1CCC([N@@H+]2C[C@@H](CO)[C@H](NC(=O)c3cnccn3)C2)CC1	ZINC000257195772	374986998	/nfs/dbraw/zinc/98/69/98/374986998.db2.gz	WWJAOSBXJKSXBN-SWLSCSKDSA-N	2	2	319.409	-0.407	50	0		DBAALP
O=C(CN1CC[NH2+]CC1=O)N1CCC[C@@H]1C[NH+]1CCCCC1	ZINC000238079831	375050933	/nfs/dbraw/zinc/05/09/33/375050933.db2.gz	YEDDGPFLLQLYOG-CQSZACIVSA-N	2	2	308.426	-0.105	50	0		DBAALP
C[N@@H+]1CCCNC(=O)C12CCN(C(=O)Cn1cc[nH+]c1)CC2	ZINC000215285694	376520852	/nfs/dbraw/zinc/52/08/52/376520852.db2.gz	BKGDGGAWLOVNLW-UHFFFAOYSA-N	2	2	305.382	-0.304	50	0		DBAALP
C[N@H+]1CCCNC(=O)C12CCN(C(=O)Cn1cc[nH+]c1)CC2	ZINC000215285694	376520858	/nfs/dbraw/zinc/52/08/58/376520858.db2.gz	BKGDGGAWLOVNLW-UHFFFAOYSA-N	2	2	305.382	-0.304	50	0		DBAALP
NC(=O)Cn1c2ccccc2n(CC[NH+]2CCOCC2)c1=[NH2+]	ZINC000000811113	376623104	/nfs/dbraw/zinc/62/31/04/376623104.db2.gz	UNLPTNRWLNWKND-UHFFFAOYSA-N	2	2	303.366	-0.260	50	0		DBAALP
Cn1c(C[N@H+]2C[C@H](CO)C[C@H](CO)C2)nnc1[C@H]1C[C@H]([NH3+])C1	ZINC000244724006	377099793	/nfs/dbraw/zinc/09/97/93/377099793.db2.gz	MLWNQZHEMQGDFI-WNGYAQOMSA-N	2	2	309.414	-0.558	50	0		DBAALP
Cn1c(C[N@@H+]2C[C@H](CO)C[C@H](CO)C2)nnc1[C@H]1C[C@H]([NH3+])C1	ZINC000244724006	377099803	/nfs/dbraw/zinc/09/98/03/377099803.db2.gz	MLWNQZHEMQGDFI-WNGYAQOMSA-N	2	2	309.414	-0.558	50	0		DBAALP
CC(=O)N1CC[NH+](CCNC(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1	ZINC000089904430	381020453	/nfs/dbraw/zinc/02/04/53/381020453.db2.gz	FLVBMUADAVUWEX-ZDUSSCGKSA-N	2	2	322.413	-0.265	50	0		DBAALP
COc1cc(N2CC[N@H+](C)[C@]3(C2)CCNC(=O)CC3)nc(N)[nH+]1	ZINC000095388593	382597515	/nfs/dbraw/zinc/59/75/15/382597515.db2.gz	WPPYDJVRDHNCNT-HNNXBMFYSA-N	2	2	320.397	-0.142	50	0		DBAALP
COc1cc(N2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)nc(N)[nH+]1	ZINC000095388593	382597519	/nfs/dbraw/zinc/59/75/19/382597519.db2.gz	WPPYDJVRDHNCNT-HNNXBMFYSA-N	2	2	320.397	-0.142	50	0		DBAALP
O=C(C[NH+]1CCN(CC[NH+]2CCCCC2)CC1)N1CCOCC1	ZINC000069702579	382687513	/nfs/dbraw/zinc/68/75/13/382687513.db2.gz	HAQWGVPMNPHGBE-UHFFFAOYSA-N	2	2	324.469	-0.051	50	0		DBAALP
CN(C)S(=O)(=O)CCNc1nc(N)[nH+]c2c1CC[NH2+]CC2	ZINC000072408770	256545762	/nfs/dbraw/zinc/54/57/62/256545762.db2.gz	ZPUBBPQBJFQXKS-UHFFFAOYSA-N	2	2	314.415	-0.950	50	0		DBAALP
C[NH+]1CCN(c2cc([C@@H]3CCOC3)[nH+]c(NCCO)n2)CC1	ZINC000426389486	412307834	/nfs/dbraw/zinc/30/78/34/412307834.db2.gz	RRZFONBZZMNCQS-GFCCVEGCSA-N	2	2	307.398	0.137	50	0		DBAALP
Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C)[C@H](O)C1	ZINC000426510924	670835684	/nfs/dbraw/zinc/83/56/84/670835684.db2.gz	ZBIDMOWTDATCIC-ZIAGYGMSSA-N	2	2	310.398	-0.096	50	0		DBAALP
Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C)[C@H](O)C1	ZINC000426510924	670835686	/nfs/dbraw/zinc/83/56/86/670835686.db2.gz	ZBIDMOWTDATCIC-ZIAGYGMSSA-N	2	2	310.398	-0.096	50	0		DBAALP
C[NH+]1CCN(Cc2noc([C@H]3CCC[N@H+](CC(N)=O)C3)n2)CC1	ZINC000095504840	803802892	/nfs/dbraw/zinc/80/28/92/803802892.db2.gz	YPIDRAWVHHPSCE-LBPRGKRZSA-N	2	2	322.413	-0.518	50	0		DBAALP
C[NH+]1CCN(Cc2noc([C@H]3CCC[N@@H+](CC(N)=O)C3)n2)CC1	ZINC000095504840	803802900	/nfs/dbraw/zinc/80/29/00/803802900.db2.gz	YPIDRAWVHHPSCE-LBPRGKRZSA-N	2	2	322.413	-0.518	50	0		DBAALP
CN(C)S(=O)(=O)C[C@@H]1C[N@H+](CCc2[nH+]ccn2C)C[C@@H]1O	ZINC001529134127	1014519949	/nfs/dbraw/zinc/51/99/49/1014519949.db2.gz	WVDSIOCHTRWVGR-RYUDHWBXSA-N	2	2	316.427	-0.853	50	0		DBAALP
CN(C)S(=O)(=O)C[C@@H]1C[N@@H+](CCc2[nH+]ccn2C)C[C@@H]1O	ZINC001529134127	1014519957	/nfs/dbraw/zinc/51/99/57/1014519957.db2.gz	WVDSIOCHTRWVGR-RYUDHWBXSA-N	2	2	316.427	-0.853	50	0		DBAALP
C[C@H](O)C[NH+]1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000106869211	185458076	/nfs/dbraw/zinc/45/80/76/185458076.db2.gz	CYZCTXFFPOVFLI-JJXSEGSLSA-N	2	2	315.458	-0.545	50	0		DBAALP
Nc1nc(NCCC[NH+]2CCOCC2)cc([C@@H]2CCOC2)[nH+]1	ZINC000426358661	412541781	/nfs/dbraw/zinc/54/17/81/412541781.db2.gz	SQFGWJMFGNOEFQ-GFCCVEGCSA-N	2	2	307.398	0.119	50	0		DBAALP
Cn1ncc(N2CC[NH+](C[C@@]3(O)CCC[NH2+]C3)CC2)cc1=O	ZINC000072412058	191155636	/nfs/dbraw/zinc/15/56/36/191155636.db2.gz	YLRLTUOLVXFOJW-OAHLLOKOSA-N	2	2	307.398	-0.983	50	0		DBAALP
O[C@@]1(C[NH2+]Cc2cccnc2-n2cncn2)C[NH2+]CCOC1	ZINC000077424705	374720799	/nfs/dbraw/zinc/72/07/99/374720799.db2.gz	XUFZSQKAJRSXEV-CQSZACIVSA-N	2	2	304.354	-0.897	50	0		DBAALP
Cc1[nH+]c[nH]c1CN1CC[N@@H+](CCC(=O)N(C)C)C[C@H](O)C1	ZINC000097632071	374874175	/nfs/dbraw/zinc/87/41/75/374874175.db2.gz	NIRWZBQWPBPSTJ-ZDUSSCGKSA-N	2	2	309.414	-0.325	50	0		DBAALP
Cc1[nH+]c[nH]c1CN1CC[N@H+](CCC(=O)N(C)C)C[C@H](O)C1	ZINC000097632071	374874184	/nfs/dbraw/zinc/87/41/84/374874184.db2.gz	NIRWZBQWPBPSTJ-ZDUSSCGKSA-N	2	2	309.414	-0.325	50	0		DBAALP
C[NH+]1CCC([NH+]2CCN(C(=O)Cc3cnc[nH]c3=O)CC2)CC1	ZINC000214948102	376506596	/nfs/dbraw/zinc/50/65/96/376506596.db2.gz	BIVHZUKBYUYTJG-UHFFFAOYSA-N	2	2	319.409	-0.449	50	0		DBAALP
O=C(Cn1cc[nH+]c1)NC1CC[NH+](CC(=O)NC2CC2)CC1	ZINC000299800268	378053328	/nfs/dbraw/zinc/05/33/28/378053328.db2.gz	XLLFWDLGJSGVCM-UHFFFAOYSA-N	2	2	305.382	-0.258	50	0		DBAALP
C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ncns3)CC2)CC1	ZINC000408522900	392525732	/nfs/dbraw/zinc/52/57/32/392525732.db2.gz	DVQBVPJNEQCWJZ-UHFFFAOYSA-N	2	2	324.454	-0.176	50	0		DBAALP
NC(=O)C[NH+]1CCC(Nc2[nH+]c3ccccc3n2CCO)CC1	ZINC000584900960	412326551	/nfs/dbraw/zinc/32/65/51/412326551.db2.gz	NMBBYXMCPCZLTP-UHFFFAOYSA-N	2	2	317.393	0.390	50	0		DBAALP
COC(=O)N[C@@H](C)C(=O)NCC1([NH+](C)C)CC[NH+](C)CC1	ZINC000670461390	544707345	/nfs/dbraw/zinc/70/73/45/544707345.db2.gz	ZQRJRPNKKRPFSY-NSHDSACASA-N	2	2	300.403	-0.127	50	0		DBAALP
CN(CC1(CO)CCOCC1)C(=O)C[N@H+](C)C1CC[NH2+]CC1	ZINC000534591940	334294690	/nfs/dbraw/zinc/29/46/90/334294690.db2.gz	OKNZRDNKDHSMTN-UHFFFAOYSA-N	2	2	313.442	-0.082	50	0		DBAALP
CN(CC1(CO)CCOCC1)C(=O)C[N@@H+](C)C1CC[NH2+]CC1	ZINC000534591940	334294692	/nfs/dbraw/zinc/29/46/92/334294692.db2.gz	OKNZRDNKDHSMTN-UHFFFAOYSA-N	2	2	313.442	-0.082	50	0		DBAALP
C[NH+]1CCN(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1	ZINC000534649946	334311283	/nfs/dbraw/zinc/31/12/83/334311283.db2.gz	SMERBFUOODQTNT-CYBMUJFWSA-N	2	2	304.460	-0.200	50	0		DBAALP
C[NH+]1CCN(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1	ZINC000534649946	334311284	/nfs/dbraw/zinc/31/12/84/334311284.db2.gz	SMERBFUOODQTNT-CYBMUJFWSA-N	2	2	304.460	-0.200	50	0		DBAALP
CC(=O)N1CCc2c([nH+]c(N(C)C)nc2N2CC[C@@H]([NH3+])C2)C1	ZINC000071764573	563500389	/nfs/dbraw/zinc/50/03/89/563500389.db2.gz	YEAWKWWEFQJYNV-LLVKDONJSA-N	2	2	304.398	-0.015	50	0		DBAALP
CCc1[nH]c([C@H]2C[N@H+](C)C[C@@H]2C(=O)N2CCNC(=O)C2)c(C)[nH+]1	ZINC000071752850	191024228	/nfs/dbraw/zinc/02/42/28/191024228.db2.gz	VGIZCDBRHPKYQV-RYUDHWBXSA-N	2	2	319.409	-0.116	50	0		DBAALP
CCc1[nH]c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N2CCNC(=O)C2)c(C)[nH+]1	ZINC000071752850	191024230	/nfs/dbraw/zinc/02/42/30/191024230.db2.gz	VGIZCDBRHPKYQV-RYUDHWBXSA-N	2	2	319.409	-0.116	50	0		DBAALP
Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@@H+](C(CO)CO)C1	ZINC000072425649	191159965	/nfs/dbraw/zinc/15/99/65/191159965.db2.gz	AABPGTPQGKBVJN-CYBMUJFWSA-N	2	2	323.441	-0.057	50	0		DBAALP
Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@H+](C(CO)CO)C1	ZINC000072425649	191159968	/nfs/dbraw/zinc/15/99/68/191159968.db2.gz	AABPGTPQGKBVJN-CYBMUJFWSA-N	2	2	323.441	-0.057	50	0		DBAALP
CCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)n2cc[nH+]c2)CC1	ZINC000072269672	374412953	/nfs/dbraw/zinc/41/29/53/374412953.db2.gz	YXNNMXAEPXRCHN-KBPBESRZSA-N	2	2	310.398	-0.014	50	0		DBAALP
Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@H+](CCO)C1	ZINC000072436688	374696747	/nfs/dbraw/zinc/69/67/47/374696747.db2.gz	RMLBONHOKIIIFB-ZDUSSCGKSA-N	2	2	323.441	-0.057	50	0		DBAALP
[NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[NH+](CCc3ccncc3)CC2)C1	ZINC000067640993	374663372	/nfs/dbraw/zinc/66/33/72/374663372.db2.gz	RAGALEOWODUEAL-CABCVRRESA-N	3	2	303.410	-0.543	50	0		DBAALP
CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C[N@H+](C)Cc1ccccn1	ZINC000067692248	374664789	/nfs/dbraw/zinc/66/47/89/374664789.db2.gz	PSBQEZANZYJSHD-AAEUAGOBSA-N	2	2	305.382	-0.812	50	0		DBAALP
CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C[N@@H+](C)Cc1ccccn1	ZINC000067692248	374664790	/nfs/dbraw/zinc/66/47/90/374664790.db2.gz	PSBQEZANZYJSHD-AAEUAGOBSA-N	2	2	305.382	-0.812	50	0		DBAALP
C[C@@H](O)[C@H]([NH3+])C(=O)N1CCc2c([nH+]c(N(C)C)nc2N(C)C)C1	ZINC000071730523	374691217	/nfs/dbraw/zinc/69/12/17/374691217.db2.gz	CSQIVXZXBRTPER-SKDRFNHKSA-N	2	2	322.413	-0.799	50	0		DBAALP
CNC(=O)C[N@@H+]1CCN(c2nc(NC)cc(C)[nH+]2)C[C@@H](O)C1	ZINC000097288876	374868075	/nfs/dbraw/zinc/86/80/75/374868075.db2.gz	SVHZTSUZFWALIL-NSHDSACASA-N	2	2	308.386	-0.944	50	0		DBAALP
CNC(=O)C[N@H+]1CCN(c2nc(NC)cc(C)[nH+]2)C[C@@H](O)C1	ZINC000097288876	374868080	/nfs/dbraw/zinc/86/80/80/374868080.db2.gz	SVHZTSUZFWALIL-NSHDSACASA-N	2	2	308.386	-0.944	50	0		DBAALP
O=C(N1CC[N@@H+](CCCO)C[C@H](O)C1)C1(Cn2cc[nH+]c2)CC1	ZINC000097495369	374869570	/nfs/dbraw/zinc/86/95/70/374869570.db2.gz	BVDFCRVSKWDIQH-AWEZNQCLSA-N	2	2	322.409	-0.449	50	0		DBAALP
O=C(N1CC[N@H+](CCCO)C[C@H](O)C1)C1(Cn2cc[nH+]c2)CC1	ZINC000097495369	374869575	/nfs/dbraw/zinc/86/95/75/374869575.db2.gz	BVDFCRVSKWDIQH-AWEZNQCLSA-N	2	2	322.409	-0.449	50	0		DBAALP
O[C@@]1(C[NH2+]CCC2=CSC3=[NH+]CCCN23)C[NH2+]CCOC1	ZINC000102158893	374891028	/nfs/dbraw/zinc/89/10/28/374891028.db2.gz	NJKAAXMNOYWKOC-AWEZNQCLSA-N	3	2	312.439	-0.033	50	0		DBAALP
CS(=O)(=O)NCCNc1cc(C2CC([NH3+])C2)[nH+]c(N)n1	ZINC000219258382	376620918	/nfs/dbraw/zinc/62/09/18/376620918.db2.gz	YUSFUGFOACLGJN-UHFFFAOYSA-N	2	2	300.388	-0.775	50	0		DBAALP
COCCn1c[nH+]cc1CN1CCC[N@@H+]([C@H]2COC[C@@H]2O)CC1	ZINC000244574914	377095564	/nfs/dbraw/zinc/09/55/64/377095564.db2.gz	CTIWEDZUMAPGBS-HOTGVXAUSA-N	2	2	324.425	-0.203	50	0		DBAALP
COCCn1c[nH+]cc1CN1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1	ZINC000244574914	377095571	/nfs/dbraw/zinc/09/55/71/377095571.db2.gz	CTIWEDZUMAPGBS-HOTGVXAUSA-N	2	2	324.425	-0.203	50	0		DBAALP
CC(=O)N1CC[NH+](CCNC(=O)N[C@H](C)Cn2cc[nH+]c2)CC1	ZINC000089904431	381019627	/nfs/dbraw/zinc/01/96/27/381019627.db2.gz	FLVBMUADAVUWEX-CYBMUJFWSA-N	2	2	322.413	-0.265	50	0		DBAALP
Cn1cc[nH+]c1CN1CC[NH+](C[C@@H](O)Cn2cccn2)CC1	ZINC000069662282	382686904	/nfs/dbraw/zinc/68/69/04/382686904.db2.gz	ZVNXMOCMWNETMA-CQSZACIVSA-N	2	2	304.398	-0.205	50	0		DBAALP
COc1cc(N2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)nc(N)[nH+]1	ZINC000108044235	411774276	/nfs/dbraw/zinc/77/42/76/411774276.db2.gz	WPPYDJVRDHNCNT-OAHLLOKOSA-N	2	2	320.397	-0.142	50	0		DBAALP
COc1cc(N2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)nc(N)[nH+]1	ZINC000108044235	411774280	/nfs/dbraw/zinc/77/42/80/411774280.db2.gz	WPPYDJVRDHNCNT-OAHLLOKOSA-N	2	2	320.397	-0.142	50	0		DBAALP
CN(CC[NH+]1CCOCC1)c1nc2c(c(=O)[nH]1)CC[NH2+]CC2	ZINC000065493085	803781875	/nfs/dbraw/zinc/78/18/75/803781875.db2.gz	LLQLCGQPRWKUQT-UHFFFAOYSA-N	2	2	307.398	-0.774	50	0		DBAALP
Nc1nc(NCCC[NH+]2CCOCC2)cc([C@H]2CCOC2)[nH+]1	ZINC000426358662	412541706	/nfs/dbraw/zinc/54/17/06/412541706.db2.gz	SQFGWJMFGNOEFQ-LBPRGKRZSA-N	2	2	307.398	0.119	50	0		DBAALP
COCc1nc(CNc2nc(N)[nH+]c3c2CC[NH2+]CC3)no1	ZINC000072459186	191172966	/nfs/dbraw/zinc/17/29/66/191172966.db2.gz	KPRYBUUGVBAWMY-UHFFFAOYSA-N	2	2	305.342	-0.112	50	0		DBAALP
C[NH+]1CCC2(CC1)CN(C(=O)Cn1cccnc1=O)CC[N@@H+]2C	ZINC000067603810	374663744	/nfs/dbraw/zinc/66/37/44/374663744.db2.gz	KAYKAPVNZOSPTN-UHFFFAOYSA-N	2	2	319.409	-0.518	50	0		DBAALP
C[NH+]1CCC2(CC1)CN(C(=O)Cn1cccnc1=O)CC[N@H+]2C	ZINC000067603810	374663754	/nfs/dbraw/zinc/66/37/54/374663754.db2.gz	KAYKAPVNZOSPTN-UHFFFAOYSA-N	2	2	319.409	-0.518	50	0		DBAALP
CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C[N@H+](C)Cc1ccc(F)cc1	ZINC000067713936	374665164	/nfs/dbraw/zinc/66/51/64/374665164.db2.gz	AIOYVJADLNSSJB-KBPBESRZSA-N	2	2	322.384	-0.068	50	0		DBAALP
CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C[N@@H+](C)Cc1ccc(F)cc1	ZINC000067713936	374665169	/nfs/dbraw/zinc/66/51/69/374665169.db2.gz	AIOYVJADLNSSJB-KBPBESRZSA-N	2	2	322.384	-0.068	50	0		DBAALP
CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[N@H+](C)Cc1ccccn1	ZINC000067966122	374666650	/nfs/dbraw/zinc/66/66/50/374666650.db2.gz	PSBQEZANZYJSHD-YPMHNXCESA-N	2	2	305.382	-0.812	50	0		DBAALP
CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[N@@H+](C)Cc1ccccn1	ZINC000067966122	374666655	/nfs/dbraw/zinc/66/66/55/374666655.db2.gz	PSBQEZANZYJSHD-YPMHNXCESA-N	2	2	305.382	-0.812	50	0		DBAALP
O=S1(=O)C[C@@H]2[NH2+]CCN(c3cc[nH+]c(N4CCCC4)n3)[C@@H]2C1	ZINC000077299816	374718719	/nfs/dbraw/zinc/71/87/19/374718719.db2.gz	NDYANJZWZPCYRH-NWDGAFQWSA-N	2	2	323.422	-0.348	50	0		DBAALP
CCN(C)c1nc(N2CC[NH2+][C@H]3CS(=O)(=O)C[C@H]32)cc[nH+]1	ZINC000077406397	374721173	/nfs/dbraw/zinc/72/11/73/374721173.db2.gz	MYCJWBGTZOZAMI-WDEREUQCSA-N	2	2	311.411	-0.492	50	0		DBAALP
COc1cc2c(cc1C[NH2+]C[C@]1(O)C[NH2+]CCOC1)OCCO2	ZINC000077423178	374721741	/nfs/dbraw/zinc/72/17/41/374721741.db2.gz	VHMBTGUIKITKSI-MRXNPFEDSA-N	2	2	324.377	-0.093	50	0		DBAALP
OCc1ccc2c(c1)C[N@@H+](C[C@@]1(O)C[NH2+]CCOC1)CCO2	ZINC000077406365	374721776	/nfs/dbraw/zinc/72/17/76/374721776.db2.gz	GFSJYEWNJZBMMG-INIZCTEOSA-N	2	2	308.378	-0.276	50	0		DBAALP
OCc1ccc2c(c1)C[N@H+](C[C@@]1(O)C[NH2+]CCOC1)CCO2	ZINC000077406365	374721786	/nfs/dbraw/zinc/72/17/86/374721786.db2.gz	GFSJYEWNJZBMMG-INIZCTEOSA-N	2	2	308.378	-0.276	50	0		DBAALP
C[NH2+]CC(=O)N1CCC[C@H](c2nnc(Cn3cc[nH+]c3)n2C)C1	ZINC000095363794	374834072	/nfs/dbraw/zinc/83/40/72/374834072.db2.gz	ILYLITPTXROIAG-LBPRGKRZSA-N	2	2	317.397	-0.015	50	0		DBAALP
Cc1cc(N2CCC([NH2+]C[C@H]3C[NH2+]CCO3)CC2)nc(N)[nH+]1	ZINC000095371049	374835218	/nfs/dbraw/zinc/83/52/18/374835218.db2.gz	SEQHHSUEYRIULA-CYBMUJFWSA-N	3	2	306.414	-0.086	50	0		DBAALP
C[N@H+](CCC(=O)NCCc1c[nH+]c[nH]1)[C@@H]1CCS(=O)(=O)C1	ZINC000252490740	377187159	/nfs/dbraw/zinc/18/71/59/377187159.db2.gz	LAAMSBLLQIWCMJ-GFCCVEGCSA-N	2	2	314.411	-0.423	50	0		DBAALP
C[N@@H+](CCC(=O)NCCc1c[nH+]c[nH]1)[C@@H]1CCS(=O)(=O)C1	ZINC000252490740	377187168	/nfs/dbraw/zinc/18/71/68/377187168.db2.gz	LAAMSBLLQIWCMJ-GFCCVEGCSA-N	2	2	314.411	-0.423	50	0		DBAALP
C[N@H+](CCC(=O)NCCc1c[nH]c[nH+]1)[C@@H]1CCS(=O)(=O)C1	ZINC000252490740	377187174	/nfs/dbraw/zinc/18/71/74/377187174.db2.gz	LAAMSBLLQIWCMJ-GFCCVEGCSA-N	2	2	314.411	-0.423	50	0		DBAALP
C[N@@H+](CCC(=O)NCCc1c[nH]c[nH+]1)[C@@H]1CCS(=O)(=O)C1	ZINC000252490740	377187184	/nfs/dbraw/zinc/18/71/84/377187184.db2.gz	LAAMSBLLQIWCMJ-GFCCVEGCSA-N	2	2	314.411	-0.423	50	0		DBAALP
C[N@H+](CCC(=O)NCCc1c[nH+]c[nH]1)[C@H]1CCS(=O)(=O)C1	ZINC000252490741	377187369	/nfs/dbraw/zinc/18/73/69/377187369.db2.gz	LAAMSBLLQIWCMJ-LBPRGKRZSA-N	2	2	314.411	-0.423	50	0		DBAALP
C[N@@H+](CCC(=O)NCCc1c[nH+]c[nH]1)[C@H]1CCS(=O)(=O)C1	ZINC000252490741	377187378	/nfs/dbraw/zinc/18/73/78/377187378.db2.gz	LAAMSBLLQIWCMJ-LBPRGKRZSA-N	2	2	314.411	-0.423	50	0		DBAALP
C[N@H+](CCC(=O)NCCc1c[nH]c[nH+]1)[C@H]1CCS(=O)(=O)C1	ZINC000252490741	377187384	/nfs/dbraw/zinc/18/73/84/377187384.db2.gz	LAAMSBLLQIWCMJ-LBPRGKRZSA-N	2	2	314.411	-0.423	50	0		DBAALP
C[N@@H+](CCC(=O)NCCc1c[nH]c[nH+]1)[C@H]1CCS(=O)(=O)C1	ZINC000252490741	377187392	/nfs/dbraw/zinc/18/73/92/377187392.db2.gz	LAAMSBLLQIWCMJ-LBPRGKRZSA-N	2	2	314.411	-0.423	50	0		DBAALP
CCS(=O)(=O)N[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C[NH+](C)C	ZINC000169790937	380657618	/nfs/dbraw/zinc/65/76/18/380657618.db2.gz	UCZUDUCJGULLKW-TZMCWYRMSA-N	2	2	319.471	-0.033	50	0		DBAALP
CCS(=O)(=O)N[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C[NH+](C)C	ZINC000169790937	380657623	/nfs/dbraw/zinc/65/76/23/380657623.db2.gz	UCZUDUCJGULLKW-TZMCWYRMSA-N	2	2	319.471	-0.033	50	0		DBAALP
CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C[N@H+](C)Cc1cccnc1	ZINC000067678622	184479243	/nfs/dbraw/zinc/47/92/43/184479243.db2.gz	HDUVSGCPWYYTTD-STQMWFEESA-N	2	2	305.382	-0.812	50	0		DBAALP
CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C[N@@H+](C)Cc1cccnc1	ZINC000067678622	184479244	/nfs/dbraw/zinc/47/92/44/184479244.db2.gz	HDUVSGCPWYYTTD-STQMWFEESA-N	2	2	305.382	-0.812	50	0		DBAALP
CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH+](C[C@H](C)O)CC2)CC1	ZINC000069697321	382687264	/nfs/dbraw/zinc/68/72/64/382687264.db2.gz	PZULIVSWYARSAI-LSDHHAIUSA-N	2	2	312.458	-0.463	50	0		DBAALP
Cc1cc(C)n(C2C[NH+](C[C@@H](O)CN3CC[NH+](C)CC3)C2)n1	ZINC000071880932	382696767	/nfs/dbraw/zinc/69/67/67/382696767.db2.gz	PUAZJTHPEUUQBB-INIZCTEOSA-N	2	2	307.442	-0.035	50	0		DBAALP
CC(=O)N1CCc2c([nH+]c(N(C)C)nc2N2CC[C@H]([NH3+])C2)C1	ZINC000071764572	273491422	/nfs/dbraw/zinc/49/14/22/273491422.db2.gz	YEAWKWWEFQJYNV-NSHDSACASA-N	2	2	304.398	-0.015	50	0		DBAALP
C[NH+]1CCC2(CC1)CN(C(=O)CCCn1cnnn1)CC[N@@H+]2C	ZINC000067872424	277035525	/nfs/dbraw/zinc/03/55/25/277035525.db2.gz	SLBSBWUCCWBIPO-UHFFFAOYSA-N	2	2	321.429	-0.308	50	0		DBAALP
C[NH+]1CCC2(CC1)CN(C(=O)CCCn1cnnn1)CC[N@H+]2C	ZINC000067872424	277035527	/nfs/dbraw/zinc/03/55/27/277035527.db2.gz	SLBSBWUCCWBIPO-UHFFFAOYSA-N	2	2	321.429	-0.308	50	0		DBAALP
C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21	ZINC000077505968	803795097	/nfs/dbraw/zinc/79/50/97/803795097.db2.gz	CSEDQKIBZAIIGK-UONOGXRCSA-N	2	2	319.409	-0.058	50	0		DBAALP
C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1	ZINC000081421033	803796616	/nfs/dbraw/zinc/79/66/16/803796616.db2.gz	AISNFHWXORZRAL-OAHLLOKOSA-N	2	2	311.426	-0.112	50	0		DBAALP
C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1	ZINC000081421033	803796619	/nfs/dbraw/zinc/79/66/19/803796619.db2.gz	AISNFHWXORZRAL-OAHLLOKOSA-N	2	2	311.426	-0.112	50	0		DBAALP
[NH3+]CCC[NH+](CCC[NH3+])CCCC[NH+](CCC[NH3+])CCC[NH3+]	ZINC000004977310	181183150	/nfs/dbraw/zinc/18/31/50/181183150.db2.gz	LYBWJVKFJAIODE-UHFFFAOYSA-N	6	2	316.538	-0.234	50	0	in-man	DBAALP
[NH3+]CCCN(CCC[NH3+])CCCC[NH+](CCC[NH3+])CCC[NH3+]	ZINC000004977310	181183152	/nfs/dbraw/zinc/18/31/52/181183152.db2.gz	LYBWJVKFJAIODE-UHFFFAOYSA-N	5	2	316.538	-0.234	50	0	in-man	DBAALP
C[NH+]1CCc2n[nH]c(C(=O)N3CCN4CC[N@@H+](C)C[C@@H]4C3)c2C1	ZINC000067805073	283175198	/nfs/dbraw/zinc/17/51/98/283175198.db2.gz	LCMFLCLIENVMSN-GFCCVEGCSA-N	2	2	318.425	-0.531	50	0		DBAALP
C[NH+]1CCc2n[nH]c(C(=O)N3CCN4CC[N@H+](C)C[C@@H]4C3)c2C1	ZINC000067805073	283175200	/nfs/dbraw/zinc/17/52/00/283175200.db2.gz	LCMFLCLIENVMSN-GFCCVEGCSA-N	2	2	318.425	-0.531	50	0		DBAALP
C[NH+]1CCN2CCN(C(=O)c3[nH]nc4c3C[N@H+](C)CC4)C[C@H]2C1	ZINC000067805073	283175203	/nfs/dbraw/zinc/17/52/03/283175203.db2.gz	LCMFLCLIENVMSN-GFCCVEGCSA-N	2	2	318.425	-0.531	50	0		DBAALP
C[NH+]1CCN2CCN(C(=O)c3[nH]nc4c3C[N@@H+](C)CC4)C[C@H]2C1	ZINC000067805073	283175206	/nfs/dbraw/zinc/17/52/06/283175206.db2.gz	LCMFLCLIENVMSN-GFCCVEGCSA-N	2	2	318.425	-0.531	50	0		DBAALP
C[NH+](C)CCN1CCN(c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CC1	ZINC000222532516	237018845	/nfs/dbraw/zinc/01/88/45/237018845.db2.gz	NGORKWKDVSOCSZ-UHFFFAOYSA-N	3	2	319.457	-0.053	50	0		DBAALP
Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1	ZINC000188103101	200194437	/nfs/dbraw/zinc/19/44/37/200194437.db2.gz	CKZXABFFHIUQIS-CQSZACIVSA-N	2	2	308.382	-0.076	50	0		DBAALP
C[NH2+]CC(=O)N1CCC(c2nnc(Cn3cc[nH+]c3)n2C)CC1	ZINC000091625770	193081218	/nfs/dbraw/zinc/08/12/18/193081218.db2.gz	FBNFBGDYWCHJSW-UHFFFAOYSA-N	2	2	317.397	-0.015	50	0		DBAALP
Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1CC[NH+](C)CC1	ZINC000021638019	374397167	/nfs/dbraw/zinc/39/71/67/374397167.db2.gz	PROKFDLDUSAQQQ-UHFFFAOYSA-N	2	2	318.425	-0.076	50	0		DBAALP
[NH3+]CCn1cc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)nn1	ZINC000077337584	374492500	/nfs/dbraw/zinc/49/25/00/374492500.db2.gz	UYSPEWUROGIKQJ-LBPRGKRZSA-N	2	2	308.386	-0.826	50	0		DBAALP
C[NH+]1CCC2(CC1)CN(C(=O)CCn1cnnn1)CCC[N@@H+]2C	ZINC000067770277	374664716	/nfs/dbraw/zinc/66/47/16/374664716.db2.gz	HMDMGRYAHSGAAS-UHFFFAOYSA-N	2	2	321.429	-0.308	50	0		DBAALP
C[NH+]1CCC2(CC1)CN(C(=O)CCn1cnnn1)CCC[N@H+]2C	ZINC000067770277	374664719	/nfs/dbraw/zinc/66/47/19/374664719.db2.gz	HMDMGRYAHSGAAS-UHFFFAOYSA-N	2	2	321.429	-0.308	50	0		DBAALP
O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCNC(=O)C1	ZINC000097200587	374758776	/nfs/dbraw/zinc/75/87/76/374758776.db2.gz	SCAQFANIPISTIO-ZDUSSCGKSA-N	2	2	317.393	-0.226	50	0		DBAALP
O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCNC(=O)C1	ZINC000097200587	374758781	/nfs/dbraw/zinc/75/87/81/374758781.db2.gz	SCAQFANIPISTIO-ZDUSSCGKSA-N	2	2	317.393	-0.226	50	0		DBAALP
O=c1c2ccccc2cnn1CC[NH2+]C[C@]1(O)C[NH2+]CCOC1	ZINC000077534828	374724374	/nfs/dbraw/zinc/72/43/74/374724374.db2.gz	FJXCFXRGCMDAIZ-INIZCTEOSA-N	2	2	318.377	-0.663	50	0		DBAALP
O=C(C[NH+]1CCCC1)N1CC[N@H+](CCc2cn[nH]c2)C[C@H](O)C1	ZINC000097547545	374872586	/nfs/dbraw/zinc/87/25/86/374872586.db2.gz	DJFNQXBFBLCEQH-HNNXBMFYSA-N	2	2	321.425	-0.447	50	0		DBAALP
Cc1noc([C@@]23C[N@@H+](CCCO)C[C@@H]2CC[NH+](CCO)C3)n1	ZINC000257193184	374984376	/nfs/dbraw/zinc/98/43/76/374984376.db2.gz	XPZXNVDWEGAFQM-ZFWWWQNUSA-N	2	2	310.398	-0.372	50	0		DBAALP
Cc1noc([C@@]23C[NH+](CCCO)C[C@@H]2CC[N@H+](CCO)C3)n1	ZINC000257193184	374984382	/nfs/dbraw/zinc/98/43/82/374984382.db2.gz	XPZXNVDWEGAFQM-ZFWWWQNUSA-N	2	2	310.398	-0.372	50	0		DBAALP
Cc1noc([C@@]23C[NH+](CCCO)C[C@@H]2CC[N@@H+](CCO)C3)n1	ZINC000257193184	374984391	/nfs/dbraw/zinc/98/43/91/374984391.db2.gz	XPZXNVDWEGAFQM-ZFWWWQNUSA-N	2	2	310.398	-0.372	50	0		DBAALP
CN(C)S(=O)(=O)CCC[NH+]1CCN(c2[nH+]ccn2C)CC1	ZINC000084331666	375229350	/nfs/dbraw/zinc/22/93/50/375229350.db2.gz	LOASLKRPHBXVOK-UHFFFAOYSA-N	2	2	315.443	-0.176	50	0		DBAALP
CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1	ZINC000065451726	184347008	/nfs/dbraw/zinc/34/70/08/184347008.db2.gz	HIFANYDEWJRYAF-LBPRGKRZSA-N	2	2	322.413	-0.219	50	0		DBAALP
C[N@@H+]1CCC[C@H](C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)C1	ZINC000065497913	184354781	/nfs/dbraw/zinc/35/47/81/184354781.db2.gz	MPWXDRWJYYRCEV-INIZCTEOSA-N	2	2	324.469	-0.195	50	0		DBAALP
C[N@H+]1CCC[C@H](C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)C1	ZINC000065497913	184354782	/nfs/dbraw/zinc/35/47/82/184354782.db2.gz	MPWXDRWJYYRCEV-INIZCTEOSA-N	2	2	324.469	-0.195	50	0		DBAALP
OCCNc1nc(NCCn2cc[nH+]c2)cc([C@H]2CCOC2)[nH+]1	ZINC000426634109	257245408	/nfs/dbraw/zinc/24/54/08/257245408.db2.gz	FAEJWPXBRXWEFD-LBPRGKRZSA-N	2	2	318.381	-0.463	50	0		DBAALP
C[NH+](C)Cc1nnc(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)o1	ZINC000071779966	276814092	/nfs/dbraw/zinc/81/40/92/276814092.db2.gz	XIRZXXLHQVJPGV-RYUDHWBXSA-N	2	2	323.397	-0.198	50	0		DBAALP
Cc1c[nH+]ccc1N1CCCN(C(=O)[C@@H]2C[NH2+]CC(=O)N2)CC1	ZINC000077504954	803795218	/nfs/dbraw/zinc/79/52/18/803795218.db2.gz	KSIHCVWYSUNYRB-ZDUSSCGKSA-N	2	2	317.393	-0.483	50	0		DBAALP
C[C@H](C(=O)N1CCC(O)(C[NH+](C)C)CC1)[NH+]1CCN(C)CC1	ZINC000823684452	805238071	/nfs/dbraw/zinc/23/80/71/805238071.db2.gz	UTZBRXXKIAGFPM-CQSZACIVSA-N	2	2	312.458	-0.463	50	0		DBAALP
CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C[N@H+](C)Cc1ccncc1	ZINC000067458272	374661843	/nfs/dbraw/zinc/66/18/43/374661843.db2.gz	HJHZLFUCOKUUIF-STQMWFEESA-N	2	2	305.382	-0.812	50	0		DBAALP
CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C[N@@H+](C)Cc1ccncc1	ZINC000067458272	374661849	/nfs/dbraw/zinc/66/18/49/374661849.db2.gz	HJHZLFUCOKUUIF-STQMWFEESA-N	2	2	305.382	-0.812	50	0		DBAALP
O[C@@]1(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C[NH2+]CCOC1	ZINC000077469730	374721650	/nfs/dbraw/zinc/72/16/50/374721650.db2.gz	ZTRIAPRKJJGPRV-CQSZACIVSA-N	2	2	304.354	-0.693	50	0		DBAALP
OCc1ccc2c(c1)C[N@@H+](C[C@]1(O)C[NH2+]CCOC1)CCO2	ZINC000077406364	374721708	/nfs/dbraw/zinc/72/17/08/374721708.db2.gz	GFSJYEWNJZBMMG-MRXNPFEDSA-N	2	2	308.378	-0.276	50	0		DBAALP
OCc1ccc2c(c1)C[N@H+](C[C@]1(O)C[NH2+]CCOC1)CCO2	ZINC000077406364	374721715	/nfs/dbraw/zinc/72/17/15/374721715.db2.gz	GFSJYEWNJZBMMG-MRXNPFEDSA-N	2	2	308.378	-0.276	50	0		DBAALP
O[C@]1(C[NH2+]Cc2cccnc2-n2cncn2)C[NH2+]CCOC1	ZINC000077424709	374721890	/nfs/dbraw/zinc/72/18/90/374721890.db2.gz	XUFZSQKAJRSXEV-AWEZNQCLSA-N	2	2	304.354	-0.897	50	0		DBAALP
Cn1c(C[NH+]2CCC(O)CC2)nnc1C1CCN(CC[NH3+])CC1	ZINC000077487669	374722303	/nfs/dbraw/zinc/72/23/03/374722303.db2.gz	SGMGPIBTLIYTQO-UHFFFAOYSA-N	2	2	322.457	-0.090	50	0		DBAALP
Cc1ncc2c(c1C[NH2+]C[C@]1(O)C[NH2+]CCOC1)CC[NH2+]C2	ZINC000077469740	374722490	/nfs/dbraw/zinc/72/24/90/374722490.db2.gz	FUIIWPGAGVBNIJ-MRXNPFEDSA-N	3	2	306.410	-0.524	50	0		DBAALP
O=c1c2ccccc2cnn1CC[NH2+]C[C@@]1(O)C[NH2+]CCOC1	ZINC000077534833	374724129	/nfs/dbraw/zinc/72/41/29/374724129.db2.gz	FJXCFXRGCMDAIZ-MRXNPFEDSA-N	2	2	318.377	-0.663	50	0		DBAALP
O=C(C[NH+]1CCCC1)N1CC[N@H+](CCc2cn[nH]c2)C[C@@H](O)C1	ZINC000097547544	374872168	/nfs/dbraw/zinc/87/21/68/374872168.db2.gz	DJFNQXBFBLCEQH-OAHLLOKOSA-N	2	2	321.425	-0.447	50	0		DBAALP
C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)CC1	ZINC000299794583	378052928	/nfs/dbraw/zinc/05/29/28/378052928.db2.gz	KXUPXXPYRXQCIN-KBPBESRZSA-N	2	2	320.397	-0.802	50	0		DBAALP
C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)CC1	ZINC000299794583	378052935	/nfs/dbraw/zinc/05/29/35/378052935.db2.gz	KXUPXXPYRXQCIN-KBPBESRZSA-N	2	2	320.397	-0.802	50	0		DBAALP
CC(C)(CNC(=O)C[NH+]1CCC(CO)CC1)[NH+]1CCOCC1	ZINC000046090700	378316738	/nfs/dbraw/zinc/31/67/38/378316738.db2.gz	VIDBZHICZLOJCS-UHFFFAOYSA-N	2	2	313.442	-0.082	50	0		DBAALP
O=C(NCCn1cc[nH+]c1)c1cn(C[C@@H]2CCC[NH2+]C2)nn1	ZINC000065452506	184346885	/nfs/dbraw/zinc/34/68/85/184346885.db2.gz	NSNODQJRMWCGBV-GFCCVEGCSA-N	2	2	303.370	-0.096	50	0		DBAALP
C[N@H+](CC(=O)N1C[C@@H]2C[C@H](O)[C@@H](O)C[C@@H]2C1)C1CC[NH2+]CC1	ZINC000584884599	382343488	/nfs/dbraw/zinc/34/34/88/382343488.db2.gz	CZQQWWSZLJEAIQ-NEBZKDRISA-N	2	2	311.426	-0.740	50	0		DBAALP
C[N@@H+](CC(=O)N1C[C@@H]2C[C@H](O)[C@@H](O)C[C@@H]2C1)C1CC[NH2+]CC1	ZINC000584884599	382343497	/nfs/dbraw/zinc/34/34/97/382343497.db2.gz	CZQQWWSZLJEAIQ-NEBZKDRISA-N	2	2	311.426	-0.740	50	0		DBAALP
[NH3+][C@H]1C[NH2+][C@H](C(=O)N(CCN2CCOCC2)Cc2ccco2)C1	ZINC000067982196	295342531	/nfs/dbraw/zinc/34/25/31/295342531.db2.gz	PJBGWSNFZRZVBR-HIFRSBDPSA-N	2	2	322.409	-0.370	50	0		DBAALP
C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCc3ncnn3C2)C[C@@H](C)O1	ZINC000075132576	337369102	/nfs/dbraw/zinc/36/91/02/337369102.db2.gz	BAHZSJICSPGHPE-AAVRWANBSA-N	2	2	309.414	-0.347	50	0		DBAALP
COCCn1c[nH+]cc1CNC(=O)CN1CCC[N@H+](C)CC1	ZINC000299777271	665243552	/nfs/dbraw/zinc/24/35/52/665243552.db2.gz	MRQWLEXEWXZJPW-UHFFFAOYSA-N	2	2	309.414	-0.217	50	0		DBAALP
COCCn1c[nH+]cc1CNC(=O)CN1CCC[N@@H+](C)CC1	ZINC000299777271	665243553	/nfs/dbraw/zinc/24/35/53/665243553.db2.gz	MRQWLEXEWXZJPW-UHFFFAOYSA-N	2	2	309.414	-0.217	50	0		DBAALP
C[C@@H](C(=O)N1CCC(O)(C[NH+](C)C)CC1)[NH+]1CCN(C)CC1	ZINC000823684447	805237922	/nfs/dbraw/zinc/23/79/22/805237922.db2.gz	UTZBRXXKIAGFPM-AWEZNQCLSA-N	2	2	312.458	-0.463	50	0		DBAALP
C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC1	ZINC000952876557	809008472	/nfs/dbraw/zinc/00/84/72/809008472.db2.gz	BABHPHWXDKUHNZ-HUUCEWRRSA-N	3	2	312.458	-0.239	50	0		DBAALP
C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC1	ZINC000952876557	809008480	/nfs/dbraw/zinc/00/84/80/809008480.db2.gz	BABHPHWXDKUHNZ-HUUCEWRRSA-N	3	2	312.458	-0.239	50	0		DBAALP
C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC1	ZINC000952876557	809008489	/nfs/dbraw/zinc/00/84/89/809008489.db2.gz	BABHPHWXDKUHNZ-HUUCEWRRSA-N	3	2	312.458	-0.239	50	0		DBAALP
C[NH+](C[C@@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC1	ZINC000952876557	809008497	/nfs/dbraw/zinc/00/84/97/809008497.db2.gz	BABHPHWXDKUHNZ-HUUCEWRRSA-N	3	2	312.458	-0.239	50	0		DBAALP
Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@@H+](C(CO)CO)C1	ZINC000072425650	191159737	/nfs/dbraw/zinc/15/97/37/191159737.db2.gz	AABPGTPQGKBVJN-ZDUSSCGKSA-N	2	2	323.441	-0.057	50	0		DBAALP
Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@H+](C(CO)CO)C1	ZINC000072425650	191159739	/nfs/dbraw/zinc/15/97/39/191159739.db2.gz	AABPGTPQGKBVJN-ZDUSSCGKSA-N	2	2	323.441	-0.057	50	0		DBAALP
COc1ccnc(N2CC[NH+](C[C@]3(O)CCC[NH2+]C3)CC2)n1	ZINC000072435042	191166137	/nfs/dbraw/zinc/16/61/37/191166137.db2.gz	UNCYDJTYAWUCTR-HNNXBMFYSA-N	2	2	307.398	-0.278	50	0		DBAALP
Nc1nc(N2C[C@@H](CO)C[C@H](C[NH+]3CCOCC3)C2)cc[nH+]1	ZINC000091746181	193100501	/nfs/dbraw/zinc/10/05/01/193100501.db2.gz	FGSUCBYMYJAKRE-OLZOCXBDSA-N	2	2	307.398	-0.174	50	0		DBAALP
Cc1cc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)nc(N)[nH+]1	ZINC000043533236	374417944	/nfs/dbraw/zinc/41/79/44/374417944.db2.gz	IGXGMIAGXUHZSD-UHFFFAOYSA-N	2	2	320.397	-0.652	50	0		DBAALP
CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[N@H+](C)Cc1ccncc1	ZINC000067694707	374664760	/nfs/dbraw/zinc/66/47/60/374664760.db2.gz	HJHZLFUCOKUUIF-OLZOCXBDSA-N	2	2	305.382	-0.812	50	0		DBAALP
CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[N@@H+](C)Cc1ccncc1	ZINC000067694707	374664763	/nfs/dbraw/zinc/66/47/63/374664763.db2.gz	HJHZLFUCOKUUIF-OLZOCXBDSA-N	2	2	305.382	-0.812	50	0		DBAALP
O[C@]1(C[NH2+]CCc2nc(-c3cccnc3)n[nH]2)C[NH2+]CCOC1	ZINC000077505735	374720996	/nfs/dbraw/zinc/72/09/96/374720996.db2.gz	LSLQWPIWOJTNGU-OAHLLOKOSA-N	2	2	318.381	-0.650	50	0		DBAALP
O[C@]1(C[NH2+]CCc2nnc(-c3cccnc3)[nH]2)C[NH2+]CCOC1	ZINC000077505735	374721015	/nfs/dbraw/zinc/72/10/15/374721015.db2.gz	LSLQWPIWOJTNGU-OAHLLOKOSA-N	2	2	318.381	-0.650	50	0		DBAALP
Cn1c2ccc(C[NH2+]C[C@@]3(O)C[NH2+]CCOC3)cc2n(C)c1=O	ZINC000077487499	374721086	/nfs/dbraw/zinc/72/10/86/374721086.db2.gz	POLUPOUBJJIFCE-INIZCTEOSA-N	2	2	320.393	-0.683	50	0		DBAALP
Cc1cc(N2CCCN(C(=O)[C@H]3C[NH2+]CC(=O)N3)CC2)cc[nH+]1	ZINC000077522031	374723177	/nfs/dbraw/zinc/72/31/77/374723177.db2.gz	MDKVXGOSSPLYNU-CQSZACIVSA-N	2	2	317.393	-0.483	50	0		DBAALP
CCOC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)CC1	ZINC000072269669	374727311	/nfs/dbraw/zinc/72/73/11/374727311.db2.gz	YXNNMXAEPXRCHN-ZIAGYGMSSA-N	2	2	310.398	-0.014	50	0		DBAALP
C[NH+]1CCC([N@@H+]2CCN(C(=O)c3cn[nH]c3)C[C@H](O)C2)CC1	ZINC000097776191	374877135	/nfs/dbraw/zinc/87/71/35/374877135.db2.gz	LUGAFKWUMCJXEQ-CQSZACIVSA-N	2	2	307.398	-0.377	50	0		DBAALP
C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)[C@@H]([NH3+])CO)CC1	ZINC000095354192	374835269	/nfs/dbraw/zinc/83/52/69/374835269.db2.gz	LSEPOVSAJAJCSB-AWEZNQCLSA-N	3	2	323.441	-0.140	50	0		DBAALP
C[C@@]1(C2CC[NH2+]CC2)NC(=O)N(CC[NH+]2CCOCC2)C1=O	ZINC000299800289	378053607	/nfs/dbraw/zinc/05/36/07/378053607.db2.gz	WMLZZFWRZDFFIN-HNNXBMFYSA-N	2	2	310.398	-0.371	50	0		DBAALP
C[NH+](C)CCCNc1c(=O)c(=O)c1NCCC[NH+]1CCOCC1	ZINC000101678323	378589766	/nfs/dbraw/zinc/58/97/66/378589766.db2.gz	QVSSCBAYQLLWCG-UHFFFAOYSA-N	2	2	324.425	-0.220	50	0		DBAALP
C[NH+](C)CCNc1c(=O)c(=O)c1NCCCN1CC[NH+](C)CC1	ZINC000101690205	378591468	/nfs/dbraw/zinc/59/14/68/378591468.db2.gz	BJDCXHRNLASIBY-UHFFFAOYSA-N	2	2	323.441	-0.695	50	0		DBAALP
CN1CC[NH+](CCCNc2c(=O)c(=O)c2NCC[NH+](C)C)CC1	ZINC000101690205	378591474	/nfs/dbraw/zinc/59/14/74/378591474.db2.gz	BJDCXHRNLASIBY-UHFFFAOYSA-N	2	2	323.441	-0.695	50	0		DBAALP
C[N@H+](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)C1CC[NH2+]CC1	ZINC000584896976	382346052	/nfs/dbraw/zinc/34/60/52/382346052.db2.gz	DLUUQPUYFFIJMT-HNNXBMFYSA-N	2	2	318.421	-0.117	50	0		DBAALP
C[N@@H+](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)C1CC[NH2+]CC1	ZINC000584896976	382346058	/nfs/dbraw/zinc/34/60/58/382346058.db2.gz	DLUUQPUYFFIJMT-HNNXBMFYSA-N	2	2	318.421	-0.117	50	0		DBAALP
C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000106869214	382367543	/nfs/dbraw/zinc/36/75/43/382367543.db2.gz	CYZCTXFFPOVFLI-JONQDZQNSA-N	2	2	315.458	-0.545	50	0		DBAALP
CN(C)C(=O)C[N@@H+]1CC[C@@H](Nc2[nH+]cnc3[nH]ccc32)[C@H](O)C1	ZINC000426497407	257248117	/nfs/dbraw/zinc/24/81/17/257248117.db2.gz	VFTOKSOOKVIWJZ-VXGBXAGGSA-N	2	2	318.381	-0.107	50	0		DBAALP
CN(C)C(=O)C[N@H+]1CC[C@@H](Nc2[nH+]cnc3[nH]ccc32)[C@H](O)C1	ZINC000426497407	257248118	/nfs/dbraw/zinc/24/81/18/257248118.db2.gz	VFTOKSOOKVIWJZ-VXGBXAGGSA-N	2	2	318.381	-0.107	50	0		DBAALP
COC(=O)N[C@H](C)C(=O)NCC1([NH+](C)C)CC[NH+](C)CC1	ZINC000670461389	544707302	/nfs/dbraw/zinc/70/73/02/544707302.db2.gz	ZQRJRPNKKRPFSY-LLVKDONJSA-N	2	2	300.403	-0.127	50	0		DBAALP
CCc1[nH+]ccn1CC(=O)N1CC[NH2+]C[C@H]1C(=O)N1CCCC1	ZINC000072163041	191063118	/nfs/dbraw/zinc/06/31/18/191063118.db2.gz	MHWKLIUDFBESNA-ZDUSSCGKSA-N	2	2	319.409	-0.132	50	0		DBAALP
O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[NH+](CCOc2ccccc2)CC1	ZINC000238006722	202416362	/nfs/dbraw/zinc/41/63/62/202416362.db2.gz	ZEQWSQRUMWHHBR-GDBMZVCRSA-N	2	2	319.405	-0.068	50	0		DBAALP
C[N@@H+]1CCCN(c2cnn(CC[NH+]3CCOCC3)c(=O)c2)CC1	ZINC000019226288	182108065	/nfs/dbraw/zinc/10/80/65/182108065.db2.gz	UFSRZGRNHBMGAS-UHFFFAOYSA-N	2	2	321.425	-0.283	50	0		DBAALP
C[N@H+]1CCCN(c2cnn(CC[NH+]3CCOCC3)c(=O)c2)CC1	ZINC000019226288	182108066	/nfs/dbraw/zinc/10/80/66/182108066.db2.gz	UFSRZGRNHBMGAS-UHFFFAOYSA-N	2	2	321.425	-0.283	50	0		DBAALP
CCOC[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)n2cc[nH+]c2)CC1	ZINC000072269671	374412987	/nfs/dbraw/zinc/41/29/87/374412987.db2.gz	YXNNMXAEPXRCHN-UONOGXRCSA-N	2	2	310.398	-0.014	50	0		DBAALP
Cc1ncc2c(c1C[NH2+]C[C@@]1(O)C[NH2+]CCOC1)CC[NH2+]C2	ZINC000077469741	374722039	/nfs/dbraw/zinc/72/20/39/374722039.db2.gz	FUIIWPGAGVBNIJ-INIZCTEOSA-N	3	2	306.410	-0.524	50	0		DBAALP
O[C@]1(C[NH2+]CCC2=CSC3=[NH+]CCCN23)C[NH2+]CCOC1	ZINC000102158898	374890118	/nfs/dbraw/zinc/89/01/18/374890118.db2.gz	NJKAAXMNOYWKOC-CQSZACIVSA-N	3	2	312.439	-0.033	50	0		DBAALP
CN(C)S(=O)(=O)CCNc1cc(C2CC([NH3+])C2)[nH+]c(N)n1	ZINC000222771795	376712228	/nfs/dbraw/zinc/71/22/28/376712228.db2.gz	OPKRNDLIPFIJCI-UHFFFAOYSA-N	2	2	314.415	-0.433	50	0		DBAALP
Nc1nc(NCCC[N@@H+]2CCNC(=O)C2)cc([C@H]2C[C@@H](O)C2)[nH+]1	ZINC000244734573	377098199	/nfs/dbraw/zinc/09/81/99/377098199.db2.gz	NIDBIHRRYUNAIG-PHIMTYICSA-N	2	2	320.397	-0.469	50	0		DBAALP
Nc1nc(NCCC[N@H+]2CCNC(=O)C2)cc([C@H]2C[C@@H](O)C2)[nH+]1	ZINC000244734573	377098202	/nfs/dbraw/zinc/09/82/02/377098202.db2.gz	NIDBIHRRYUNAIG-PHIMTYICSA-N	2	2	320.397	-0.469	50	0		DBAALP
C[NH+]1CCN(c2c(=O)c(=O)c2NCCCn2cc[nH+]c2)CC1	ZINC000101687458	378591462	/nfs/dbraw/zinc/59/14/62/378591462.db2.gz	TVNZBZCQJMTVKP-UHFFFAOYSA-N	2	2	303.366	-0.267	50	0		DBAALP
C[N@@H+]1CCN(C(=O)c2cc3n(n2)CCC[NH+](C)C3)C[C@@H]1CCO	ZINC000106708175	194245821	/nfs/dbraw/zinc/24/58/21/194245821.db2.gz	DWMMUPGFBHUVSI-ZDUSSCGKSA-N	2	2	321.425	-0.143	50	0		DBAALP
C[N@H+]1CCN(C(=O)c2cc3n(n2)CCC[NH+](C)C3)C[C@@H]1CCO	ZINC000106708175	194245823	/nfs/dbraw/zinc/24/58/23/194245823.db2.gz	DWMMUPGFBHUVSI-ZDUSSCGKSA-N	2	2	321.425	-0.143	50	0		DBAALP
C[NH+]1CCN(C(=O)c2cc3n(n2)CCC[N@H+](C)C3)C[C@@H]1CCO	ZINC000106708175	194245826	/nfs/dbraw/zinc/24/58/26/194245826.db2.gz	DWMMUPGFBHUVSI-ZDUSSCGKSA-N	2	2	321.425	-0.143	50	0		DBAALP
C[NH+]1CCN(C(=O)c2cc3n(n2)CCC[N@@H+](C)C3)C[C@@H]1CCO	ZINC000106708175	194245828	/nfs/dbraw/zinc/24/58/28/194245828.db2.gz	DWMMUPGFBHUVSI-ZDUSSCGKSA-N	2	2	321.425	-0.143	50	0		DBAALP
C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2CCc3ncnn3C2)C[C@@H](C)O1	ZINC000257365000	337383813	/nfs/dbraw/zinc/38/38/13/337383813.db2.gz	BAHZSJICSPGHPE-YIYPIFLZSA-N	2	2	309.414	-0.347	50	0		DBAALP
COCC(=O)N1CCC[N@H+](Cc2cc3n(n2)CC[NH2+]C3)CC1	ZINC000072167339	563502622	/nfs/dbraw/zinc/50/26/22/563502622.db2.gz	IIEOCVBMACGTGI-UHFFFAOYSA-N	2	2	307.398	-0.333	50	0		DBAALP
COCC(=O)N1CCC[N@@H+](Cc2cc3n(n2)CC[NH2+]C3)CC1	ZINC000072167339	563502625	/nfs/dbraw/zinc/50/26/25/563502625.db2.gz	IIEOCVBMACGTGI-UHFFFAOYSA-N	2	2	307.398	-0.333	50	0		DBAALP
C[NH+](C)C[C@@]1(O)CCN(C(=O)c2[nH]nc3c2C[N@H+](C)CC3)C1	ZINC000072149767	563502916	/nfs/dbraw/zinc/50/29/16/563502916.db2.gz	GYUSGYJRSBHKPZ-HNNXBMFYSA-N	2	2	307.398	-0.464	50	0		DBAALP
C[NH+](C)C[C@@]1(O)CCN(C(=O)c2[nH]nc3c2C[N@@H+](C)CC3)C1	ZINC000072149767	563502919	/nfs/dbraw/zinc/50/29/19/563502919.db2.gz	GYUSGYJRSBHKPZ-HNNXBMFYSA-N	2	2	307.398	-0.464	50	0		DBAALP
C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1	ZINC000081421032	803795891	/nfs/dbraw/zinc/79/58/91/803795891.db2.gz	AISNFHWXORZRAL-HNNXBMFYSA-N	2	2	311.426	-0.112	50	0		DBAALP
C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1	ZINC000081421032	803795896	/nfs/dbraw/zinc/79/58/96/803795896.db2.gz	AISNFHWXORZRAL-HNNXBMFYSA-N	2	2	311.426	-0.112	50	0		DBAALP
CCC[N@@H+]1CCC[C@H](NS(=O)(=O)N2CC[NH+](C)CC2)C1	ZINC000822922727	805218597	/nfs/dbraw/zinc/21/85/97/805218597.db2.gz	NTKSMMPKWZOZRF-ZDUSSCGKSA-N	2	2	304.460	-0.057	50	0		DBAALP
CCC[N@H+]1CCC[C@H](NS(=O)(=O)N2CC[NH+](C)CC2)C1	ZINC000822922727	805218604	/nfs/dbraw/zinc/21/86/04/805218604.db2.gz	NTKSMMPKWZOZRF-ZDUSSCGKSA-N	2	2	304.460	-0.057	50	0		DBAALP
C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cn3c(n2)C[NH2+]CC3)C1	ZINC000072131022	191044122	/nfs/dbraw/zinc/04/41/22/191044122.db2.gz	VUVOFPVJQKBOFW-HNNXBMFYSA-N	2	2	307.398	-0.485	50	0		DBAALP
Nc1nc(N2CC[NH2+][C@H](C(=O)NCc3ccccn3)C2)cc[nH+]1	ZINC000072146831	191052509	/nfs/dbraw/zinc/05/25/09/191052509.db2.gz	UQWWNUZACXTGMM-LBPRGKRZSA-N	2	2	313.365	-0.452	50	0		DBAALP
CCc1[nH+]ccn1CC(=O)N1CC[NH2+]C[C@@H]1C(=O)N1CCCC1	ZINC000072163040	191064374	/nfs/dbraw/zinc/06/43/74/191064374.db2.gz	MHWKLIUDFBESNA-CYBMUJFWSA-N	2	2	319.409	-0.132	50	0		DBAALP
CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[N@H+](C)Cc1ccc(F)cc1	ZINC000067846837	374665221	/nfs/dbraw/zinc/66/52/21/374665221.db2.gz	AIOYVJADLNSSJB-KGLIPLIRSA-N	2	2	322.384	-0.068	50	0		DBAALP
CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[N@@H+](C)Cc1ccc(F)cc1	ZINC000067846837	374665226	/nfs/dbraw/zinc/66/52/26/374665226.db2.gz	AIOYVJADLNSSJB-KGLIPLIRSA-N	2	2	322.384	-0.068	50	0		DBAALP
C[N@@H+]1CCN(C(=O)c2cc3n(n2)CCC[NH+](C)C3)C[C@H]1CCO	ZINC000067955533	374667624	/nfs/dbraw/zinc/66/76/24/374667624.db2.gz	DWMMUPGFBHUVSI-CYBMUJFWSA-N	2	2	321.425	-0.143	50	0		DBAALP
C[N@H+]1CCN(C(=O)c2cc3n(n2)CCC[NH+](C)C3)C[C@H]1CCO	ZINC000067955533	374667625	/nfs/dbraw/zinc/66/76/25/374667625.db2.gz	DWMMUPGFBHUVSI-CYBMUJFWSA-N	2	2	321.425	-0.143	50	0		DBAALP
C[NH+]1CCN(C(=O)c2cc3n(n2)CCC[N@H+](C)C3)C[C@H]1CCO	ZINC000067955533	374667626	/nfs/dbraw/zinc/66/76/26/374667626.db2.gz	DWMMUPGFBHUVSI-CYBMUJFWSA-N	2	2	321.425	-0.143	50	0		DBAALP
C[NH+]1CCN(C(=O)c2cc3n(n2)CCC[N@@H+](C)C3)C[C@H]1CCO	ZINC000067955533	374667631	/nfs/dbraw/zinc/66/76/31/374667631.db2.gz	DWMMUPGFBHUVSI-CYBMUJFWSA-N	2	2	321.425	-0.143	50	0		DBAALP
O=C(C[N@@H+]1CCNC(=O)CC1)N1CCN(c2cccc[nH+]2)CC1	ZINC000054867809	375014071	/nfs/dbraw/zinc/01/40/71/375014071.db2.gz	JGFLBIPLTRJZGV-UHFFFAOYSA-N	2	2	317.393	-0.448	50	0		DBAALP
O=C(C[N@H+]1CCNC(=O)CC1)N1CCN(c2cccc[nH+]2)CC1	ZINC000054867809	375014081	/nfs/dbraw/zinc/01/40/81/375014081.db2.gz	JGFLBIPLTRJZGV-UHFFFAOYSA-N	2	2	317.393	-0.448	50	0		DBAALP
CC[N@@H+]1CCC[C@H]1CNc1c(=O)c(=O)c1N1CC[NH+](C)CC1	ZINC000101683155	378589199	/nfs/dbraw/zinc/58/91/99/378589199.db2.gz	UEKGUCQSORPCIZ-LBPRGKRZSA-N	2	2	306.410	-0.069	50	0		DBAALP
CC[N@H+]1CCC[C@H]1CNc1c(=O)c(=O)c1N1CC[NH+](C)CC1	ZINC000101683155	378589208	/nfs/dbraw/zinc/58/92/08/378589208.db2.gz	UEKGUCQSORPCIZ-LBPRGKRZSA-N	2	2	306.410	-0.069	50	0		DBAALP
CNC(=O)C[N@@H+]1CCN(c2nc(NC)cc(C)[nH+]2)C[C@H](O)C1	ZINC000225331026	379754784	/nfs/dbraw/zinc/75/47/84/379754784.db2.gz	SVHZTSUZFWALIL-LLVKDONJSA-N	2	2	308.386	-0.944	50	0		DBAALP
CNC(=O)C[N@H+]1CCN(c2nc(NC)cc(C)[nH+]2)C[C@H](O)C1	ZINC000225331026	379754791	/nfs/dbraw/zinc/75/47/91/379754791.db2.gz	SVHZTSUZFWALIL-LLVKDONJSA-N	2	2	308.386	-0.944	50	0		DBAALP
CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)Cn2cc[nH+]c2)CC1	ZINC000065451730	184346742	/nfs/dbraw/zinc/34/67/42/184346742.db2.gz	HIFANYDEWJRYAF-GFCCVEGCSA-N	2	2	322.413	-0.219	50	0		DBAALP
Cn1cc[nH+]c1CN1CC[NH+](C[C@H](O)Cn2cccn2)CC1	ZINC000069662278	382687079	/nfs/dbraw/zinc/68/70/79/382687079.db2.gz	ZVNXMOCMWNETMA-AWEZNQCLSA-N	2	2	304.398	-0.205	50	0		DBAALP
O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)N1CC[NH+](CCO)CC1	ZINC000426712588	257243826	/nfs/dbraw/zinc/24/38/26/257243826.db2.gz	GPMRNLGUGIYVTE-AWEZNQCLSA-N	2	2	321.425	-0.513	50	0		DBAALP
O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)NCC[NH+]1CCOCC1	ZINC000426623125	257244866	/nfs/dbraw/zinc/24/48/66/257244866.db2.gz	WLTRMGRQUFBKEE-AWEZNQCLSA-N	2	2	321.425	-0.202	50	0		DBAALP
C[NH+]1CCN(Cc2noc([C@@H]3CCC[N@H+](CC(N)=O)C3)n2)CC1	ZINC000095504839	803803388	/nfs/dbraw/zinc/80/33/88/803803388.db2.gz	YPIDRAWVHHPSCE-GFCCVEGCSA-N	2	2	322.413	-0.518	50	0		DBAALP
C[NH+]1CCN(Cc2noc([C@@H]3CCC[N@@H+](CC(N)=O)C3)n2)CC1	ZINC000095504839	803803393	/nfs/dbraw/zinc/80/33/93/803803393.db2.gz	YPIDRAWVHHPSCE-GFCCVEGCSA-N	2	2	322.413	-0.518	50	0		DBAALP