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]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCCO1	ZINC000183090895	525407558	/nfs/dbraw/zinc/40/75/58/525407558.db2.gz	FBGQHJNJRRJMCG-PBHICJAKSA-N	1	0	319.449	1.868	10	10		DDCERO
CN1C[C@H](C[NH2+]Cc2ccc(Br)cc2O)CC1=O	ZINC000723594572	699321538	/nfs/dbraw/zinc/32/15/38/699321538.db2.gz	MUIOWCKFIARTLS-VIFPVBQESA-N	1	0	313.195	1.723	10	10		DDCERO
CCOc1cccc(CN2CC[NH+](C[C@H](O)CC)CC2)c1O	ZINC000123529855	407331643	/nfs/dbraw/zinc/33/16/43/407331643.db2.gz	VAWYWKKTYOVBHG-OAHLLOKOSA-N	1	0	308.422	1.679	10	10		DDCERO
COc1ccc(N2CCN(C(=O)[C@@]3(C)CCCC[NH2+]3)CC2)cc1	ZINC000180977975	697453825	/nfs/dbraw/zinc/45/38/25/697453825.db2.gz	VWAVXXYNZJEKON-GOSISDBHSA-N	1	0	317.433	1.876	10	10		DDCERO
CN(C)c1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000171807069	407773607	/nfs/dbraw/zinc/77/36/07/407773607.db2.gz	FUCYQOZEMOTSTB-INIZCTEOSA-N	1	0	302.422	1.742	10	10		DDCERO
CN(C)c1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1F	ZINC000171905380	407790940	/nfs/dbraw/zinc/79/09/40/407790940.db2.gz	QRGUFZKGAFTGHF-CQSZACIVSA-N	1	0	320.412	1.881	10	10		DDCERO
CCOc1cccc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1O	ZINC000245697790	408044538	/nfs/dbraw/zinc/04/45/38/408044538.db2.gz	CPEZPBWTCGTQIX-UONOGXRCSA-N	1	0	308.422	1.678	10	10		DDCERO
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+]Cc2ccccc2O)C1	ZINC000702760607	699232056	/nfs/dbraw/zinc/23/20/56/699232056.db2.gz	FAQCJZGTVZNDMA-HIFRSBDPSA-N	1	0	322.405	1.710	10	10		DDCERO
CC[N@@H+]1CCC[C@H](NC(=O)NCc2cccc(OC)c2O)C1	ZINC000174238547	697386324	/nfs/dbraw/zinc/38/63/24/697386324.db2.gz	VLPPSAPPYPMMJG-ZDUSSCGKSA-N	1	0	307.394	1.684	10	10		DDCERO
C[C@@H](O)C[N@@H+]1CCN(Cc2cc3c(cc2O)OCO3)C[C@@H]1C	ZINC000120655851	408138074	/nfs/dbraw/zinc/13/80/74/408138074.db2.gz	BPFUPHAZFAYBNS-NWDGAFQWSA-N	1	0	308.378	1.008	10	10		DDCERO
C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCCO1	ZINC000183090936	525407339	/nfs/dbraw/zinc/40/73/39/525407339.db2.gz	FBGQHJNJRRJMCG-RHSMWYFYSA-N	1	0	319.449	1.868	10	10		DDCERO
CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2O)[C@H](O)C1	ZINC000702760609	699232464	/nfs/dbraw/zinc/23/24/64/699232464.db2.gz	FAQCJZGTVZNDMA-UKRRQHHQSA-N	1	0	322.405	1.710	10	10		DDCERO
COc1cc(Cl)cc(C[NH2+]C[C@@H]2CN(C)CCO2)c1O	ZINC000228673784	222206142	/nfs/dbraw/zinc/20/61/42/222206142.db2.gz	ARQHSMWOPRYAGI-GFCCVEGCSA-N	1	0	300.786	1.474	10	10		DDCERO
Cc1nc[nH]c1CSCCNC(=[NH2+])N[C@H](C)Cc1c[nH]cn1	ZINC000003620813	352112013	/nfs/dbraw/zinc/11/20/13/352112013.db2.gz	JXJRIXGXPTZOCF-SNVBAGLBSA-N	1	0	321.454	1.420	10	10	in-man	DDCERO
Nc1ccc(CC(=O)NCC[NH2+]C[C@@H](O)c2ccccc2)cc1	ZINC000040801760	352301731	/nfs/dbraw/zinc/30/17/31/352301731.db2.gz	JWKRTSQGEHJDAV-QGZVFWFLSA-N	1	0	313.401	1.251	10	10		DDCERO
C/C=C/C[C@@H](C)[C@@H](O)[C@H](C(=O)C(=O)[C@@H]([NH2+]C)C(C)C)N(C)C	ZINC000077286308	406982820	/nfs/dbraw/zinc/98/28/20/406982820.db2.gz	NEIFYFOCFQBPTE-GHSQFNHGSA-N	1	0	312.454	1.262	10	10	in-vitro	DDCERO
CC[C@@H]1CN(Cc2cccc(OC)c2O)CC[N@@H+]1C[C@@H](C)O	ZINC000120739210	408142040	/nfs/dbraw/zinc/14/20/40/408142040.db2.gz	ZSNUJFJZCRJRMH-UKRRQHHQSA-N	1	0	308.422	1.678	10	10		DDCERO
Cc1nc[nH]c1CSCCNC(=[NH2+])NCCCc1c[nH]cn1	ZINC000004216553	181085661	/nfs/dbraw/zinc/08/56/61/181085661.db2.gz	MURRAGMMNAYLNA-UHFFFAOYSA-N	1	0	321.454	1.421	10	10	in-man	DDCERO
COc1cc(Cl)cc(C[NH2+]CCN2CCOCC2)c1O	ZINC000076274223	191608548	/nfs/dbraw/zinc/60/85/48/191608548.db2.gz	UWGROGKKAGWNRA-UHFFFAOYSA-N	1	0	300.786	1.476	10	10		DDCERO
CCOc1ccc(O)c(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)c1	ZINC000180116997	407856032	/nfs/dbraw/zinc/85/60/32/407856032.db2.gz	KLKVLMYXGYPRAZ-OAHLLOKOSA-N	1	0	318.377	1.791	10	10		DDCERO
CN1CCO[C@@H](C[NH2+]Cc2c(O)cccc2Br)C1	ZINC000706807802	699244962	/nfs/dbraw/zinc/24/49/62/699244962.db2.gz	GLHNGAQEEVHTIR-JTQLQIEISA-N	1	0	315.211	1.575	10	10		DDCERO
CC[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)CCN1CCOC	ZINC000180087239	523449812	/nfs/dbraw/zinc/44/98/12/523449812.db2.gz	ACBPOABNOLOWOV-OAHLLOKOSA-N	1	0	308.422	1.943	10	10		DDCERO
Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1C(C)C	ZINC000120297103	696693486	/nfs/dbraw/zinc/69/34/86/696693486.db2.gz	FMVYMHKFVZGESQ-MLGOLLRUSA-N	1	0	306.406	1.899	10	10		DDCERO
CN1C[C@H](C[NH2+]Cc2cc(Br)ccc2O)CC1=O	ZINC000723600564	699321695	/nfs/dbraw/zinc/32/16/95/699321695.db2.gz	UDMSWMOOFZDEPK-VIFPVBQESA-N	1	0	313.195	1.723	10	10		DDCERO
COc1ccc(O)c(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1	ZINC000183406204	408401870	/nfs/dbraw/zinc/40/18/70/408401870.db2.gz	LRAQDJMHPMVCHF-CYBMUJFWSA-N	1	0	302.378	1.905	10	10		DDCERO
COc1cc(Cl)cc(CN2CCO[C@H](C[NH+](C)C)C2)c1O	ZINC000184670599	408664594	/nfs/dbraw/zinc/66/45/94/408664594.db2.gz	CKXCKCBPBUVTPM-CYBMUJFWSA-N	1	0	314.813	1.817	10	10		DDCERO
Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c(C)n1-c1ccccc1	ZINC000262146294	222273102	/nfs/dbraw/zinc/27/31/02/222273102.db2.gz	HMCAVEQSSBCKGS-RHSMWYFYSA-N	1	0	313.401	1.404	10	10		DDCERO
Cc1nc(CN2CCC[N@H+](Cc3ccccc3O)CC2)no1	ZINC000127949715	407481829	/nfs/dbraw/zinc/48/18/29/407481829.db2.gz	NCQATQGLGWDJEI-UHFFFAOYSA-N	1	0	302.378	1.792	10	10		DDCERO
Oc1cc(Br)ccc1C[NH2+][C@H]1CCOC[C@@H]1O	ZINC000706774938	699244599	/nfs/dbraw/zinc/24/45/99/699244599.db2.gz	GQXDZVOADVYPLS-JQWIXIFHSA-N	1	0	302.168	1.394	10	10		DDCERO
CCOc1ccc(O)c(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1	ZINC000245774323	408065678	/nfs/dbraw/zinc/06/56/78/408065678.db2.gz	SIPXCNSMNNTITG-YOEHRIQHSA-N	1	0	320.433	1.943	10	10		DDCERO
CCOc1cccc(CN2CCO[C@H](Cn3cccn3)C2)c1O	ZINC000122219670	408267791	/nfs/dbraw/zinc/26/77/91/408267791.db2.gz	BWZUDOAPBMAQHO-HNNXBMFYSA-N	1	0	317.389	1.888	10	10		DDCERO
COc1cc(Cl)cc(CN2CCO[C@@H](C[NH+](C)C)C2)c1O	ZINC000184670619	408665782	/nfs/dbraw/zinc/66/57/82/408665782.db2.gz	CKXCKCBPBUVTPM-ZDUSSCGKSA-N	1	0	314.813	1.817	10	10		DDCERO
COc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1	ZINC000245940810	222219245	/nfs/dbraw/zinc/21/92/45/222219245.db2.gz	UIFNEZBQMXQEMY-CZUORRHYSA-N	1	0	306.406	1.553	10	10		DDCERO
C[C@@H]([NH3+])c1ccc(N2CCNC(=O)CC2)c(Br)c1	ZINC000062101110	184206040	/nfs/dbraw/zinc/20/60/40/184206040.db2.gz	BYABNLKGKOLPNW-SECBINFHSA-N	1	0	312.211	1.795	10	10		DDCERO
C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1N1CCOCC1	ZINC000180224041	524622017	/nfs/dbraw/zinc/62/20/17/524622017.db2.gz	UTBZPGUTDSJLQR-YJBOKZPZSA-N	1	0	303.450	1.905	10	10		DDCERO
Oc1cc2c(cc1C[N@@H+]1CC[C@@H](N3CCOCC3)C1)CCC2	ZINC000172959734	697374574	/nfs/dbraw/zinc/37/45/74/697374574.db2.gz	BGRINRNDTWELDP-QGZVFWFLSA-N	1	0	302.418	1.787	10	10		DDCERO
CCOc1ccc(O)c(CN2CCO[C@H](c3nnc(C)[nH]3)C2)c1	ZINC000180116972	407857186	/nfs/dbraw/zinc/85/71/86/407857186.db2.gz	KLKVLMYXGYPRAZ-HNNXBMFYSA-N	1	0	318.377	1.791	10	10		DDCERO
CC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC[N@@H+]1C[C@@H](C)O	ZINC000120754282	408141593	/nfs/dbraw/zinc/14/15/93/408141593.db2.gz	CRBJIWCJGZSTSJ-TZMCWYRMSA-N	1	0	322.405	1.398	10	10		DDCERO
CC[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[N@@H+]1C[C@@H](C)O	ZINC000193152465	408703397	/nfs/dbraw/zinc/70/33/97/408703397.db2.gz	KKGGDLIBISGYMY-VXGBXAGGSA-N	1	0	308.378	1.015	10	10		DDCERO
Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](Cn3cncn3)C1)OCO2	ZINC000128621789	526333925	/nfs/dbraw/zinc/33/39/25/526333925.db2.gz	QJPVDNXQKJYTLX-GFCCVEGCSA-N	1	0	316.361	1.625	10	10		DDCERO
CCOc1cccc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1O	ZINC000245751113	276380044	/nfs/dbraw/zinc/38/00/44/276380044.db2.gz	NTMUDQQGJTZBOO-HOCLYGCPSA-N	1	0	320.433	1.943	10	10		DDCERO
Oc1cc2c(cc1CN1CCO[C@@H](Cn3cccn3)C1)OCO2	ZINC000152830844	407698010	/nfs/dbraw/zinc/69/80/10/407698010.db2.gz	BLAOCOMCZCYTAA-CYBMUJFWSA-N	1	0	317.345	1.218	10	10		DDCERO
C[C@@H]1COC[C@H](C)N1CC(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000172552917	407835234	/nfs/dbraw/zinc/83/52/34/407835234.db2.gz	GEPWNEZGVAHHLI-GASCZTMLSA-N	1	0	319.449	1.820	10	10		DDCERO
Cc1cccc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)c1O	ZINC000180081304	524399250	/nfs/dbraw/zinc/39/92/50/524399250.db2.gz	CRENJCCUEYGJBQ-UHFFFAOYSA-N	1	0	324.388	1.461	10	10		DDCERO
CCOc1cccc(C[N@@H+]2CCN(CCOC)[C@@H](C)C2)c1O	ZINC000245757295	698338043	/nfs/dbraw/zinc/33/80/43/698338043.db2.gz	OYHCDLTZOJTNOD-AWEZNQCLSA-N	1	0	308.422	1.943	10	10		DDCERO
Cc1noc([C@H](C)N2CC[NH+](Cc3ccccc3O)CC2)n1	ZINC000179572102	407806023	/nfs/dbraw/zinc/80/60/23/407806023.db2.gz	AURAPJKUDGHOJL-LBPRGKRZSA-N	1	0	302.378	1.962	10	10		DDCERO
CCOc1ccc(O)c(C[N@@H+]2CCN(CCOC)[C@H](C)C2)c1	ZINC000120844349	408144387	/nfs/dbraw/zinc/14/43/87/408144387.db2.gz	WTNJFJWCQSBHIF-CQSZACIVSA-N	1	0	308.422	1.943	10	10		DDCERO
CC[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC[N@@H+]1CCOC	ZINC000117323978	407830396	/nfs/dbraw/zinc/83/03/96/407830396.db2.gz	RENZMXKCGBCSPH-AWEZNQCLSA-N	1	0	322.405	1.664	10	10		DDCERO
CCOc1cccc(CN2CCO[C@@H](Cn3cccn3)C2)c1O	ZINC000122219941	408267609	/nfs/dbraw/zinc/26/76/09/408267609.db2.gz	BWZUDOAPBMAQHO-OAHLLOKOSA-N	1	0	317.389	1.888	10	10		DDCERO
Cc1nc(CN2CCC[N@H+](Cc3cc(F)ccc3O)CC2)no1	ZINC000183255576	408365900	/nfs/dbraw/zinc/36/59/00/408365900.db2.gz	UQDRNKNMLYKNLY-UHFFFAOYSA-N	1	0	320.368	1.931	10	10		DDCERO
C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C/c1ccc(O)c(O)c1	ZINC000245688082	222217529	/nfs/dbraw/zinc/21/75/29/222217529.db2.gz	JVSGFQVUVWFVKY-FROLJDDGSA-N	1	0	302.374	1.806	10	10		DDCERO
C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1N1CCOCC1	ZINC000180234721	524613607	/nfs/dbraw/zinc/61/36/07/524613607.db2.gz	VZMKAHRBDNPEET-JSGCOSHPSA-N	1	0	320.389	1.273	10	10		DDCERO
CCOCC[N@@H+]1CCN(Cc2cc3c(cc2O)OCO3)C[C@@H]1C	ZINC000117320623	696670433	/nfs/dbraw/zinc/67/04/33/696670433.db2.gz	GRAZFFDVZSLNAV-ZDUSSCGKSA-N	1	0	322.405	1.664	10	10		DDCERO
COc1ccc(N2CCN(C(=O)[C@H]3CCC[NH2+]C3)CC2)cc1	ZINC000041166689	407006624	/nfs/dbraw/zinc/00/66/24/407006624.db2.gz	WLPMUISJQNUNHO-AWEZNQCLSA-N	1	0	303.406	1.343	10	10		DDCERO
Oc1ccc(Br)cc1C[NH2+][C@H]1CCOC[C@H]1O	ZINC000706777426	699244421	/nfs/dbraw/zinc/24/44/21/699244421.db2.gz	BMYISNIZZZQIGR-CMPLNLGQSA-N	1	0	302.168	1.394	10	10		DDCERO
CC[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC[N@@H+]1C[C@@H](C)O	ZINC000120754422	408141236	/nfs/dbraw/zinc/14/12/36/408141236.db2.gz	CRBJIWCJGZSTSJ-OCCSQVGLSA-N	1	0	322.405	1.398	10	10		DDCERO
COCC[N@@H+]1CCN(Cc2cc(OC)c(OC)cc2O)C[C@H]1C	ZINC000160211957	523856568	/nfs/dbraw/zinc/85/65/68/523856568.db2.gz	SAJOSJWSWSSSIP-CYBMUJFWSA-N	1	0	324.421	1.562	10	10		DDCERO
C[C@H](O)C[N@@H+]1CCN(Cc2cc3c(cc2O)OCO3)C[C@H]1C	ZINC000245692031	408047504	/nfs/dbraw/zinc/04/75/04/408047504.db2.gz	BPFUPHAZFAYBNS-NEPJUHHUSA-N	1	0	308.378	1.008	10	10		DDCERO
CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1O	ZINC000245751117	222218202	/nfs/dbraw/zinc/21/82/02/222218202.db2.gz	NTMUDQQGJTZBOO-ZBFHGGJFSA-N	1	0	320.433	1.943	10	10		DDCERO
COc1cc(O)c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1OC	ZINC000180066889	522773328	/nfs/dbraw/zinc/77/33/28/522773328.db2.gz	KBCFSQIYBJIYGU-CYBMUJFWSA-N	1	0	318.377	1.838	10	10		DDCERO
Cc1ccc(S(=O)(=O)NCCCCCC(=O)C[N+]#N)cc1	ZINC000026667737	352210773	/nfs/dbraw/zinc/21/07/73/352210773.db2.gz	DFUCISWWAMEOST-UHFFFAOYSA-N	1	0	309.391	1.703	10	10		DDCERO
CCOCC[N@@H+]1CCN(Cc2cc3c(cc2O)OCO3)C[C@H]1C	ZINC000247001629	698359271	/nfs/dbraw/zinc/35/92/71/698359271.db2.gz	GRAZFFDVZSLNAV-CYBMUJFWSA-N	1	0	322.405	1.664	10	10		DDCERO
C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1c(O)cccc1Br	ZINC000706863872	699245216	/nfs/dbraw/zinc/24/52/16/699245216.db2.gz	VHOIUUOMXYURGT-LDYMZIIASA-N	1	0	313.195	1.911	10	10		DDCERO
Oc1cccc(Br)c1C[NH2+][C@@H]1CCOC[C@@H]1O	ZINC000706808763	699245036	/nfs/dbraw/zinc/24/50/36/699245036.db2.gz	ZIZNVDKMYIUBLT-PWSUYJOCSA-N	1	0	302.168	1.394	10	10		DDCERO
COc1ccc(O)c(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1	ZINC000183406177	408400743	/nfs/dbraw/zinc/40/07/43/408400743.db2.gz	LRAQDJMHPMVCHF-ZDUSSCGKSA-N	1	0	302.378	1.905	10	10		DDCERO
CC[NH+](CC)[C@@H](C)CNC(=O)NCc1cc(OC)ccc1O	ZINC000114587181	696661797	/nfs/dbraw/zinc/66/17/97/696661797.db2.gz	ALGMDOPIWSPSPV-LBPRGKRZSA-N	1	0	309.410	1.930	10	10		DDCERO
Cn1cc([C@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)cn1	ZINC000116259152	407734333	/nfs/dbraw/zinc/73/43/33/407734333.db2.gz	KVPBOMLSLBAOHT-NSHDSACASA-N	1	0	301.346	1.844	10	10		DDCERO
COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)CN2CCCCC2)c1	ZINC000185114978	408758713	/nfs/dbraw/zinc/75/87/13/408758713.db2.gz	YSZIAOYOEHUFNY-KBPBESRZSA-N	1	0	308.422	1.898	10	10		DDCERO
C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCCO1	ZINC000183160316	697484176	/nfs/dbraw/zinc/48/41/76/697484176.db2.gz	VWICVDJDMJXVLY-BBRMVZONSA-N	1	0	305.422	1.526	10	10		DDCERO
CC[C@H](O)C[NH+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	ZINC000180759828	522811509	/nfs/dbraw/zinc/81/15/09/522811509.db2.gz	CUYQVYCPCHNZEF-YVZNUBBCSA-N	1	0	320.389	1.026	10	10		DDCERO
CCOc1ccnc(N2CC[NH+](Cc3ccccc3O)CC2)n1	ZINC000179572182	407805472	/nfs/dbraw/zinc/80/54/72/407805472.db2.gz	CEXNLMVAEMGLEU-UHFFFAOYSA-N	1	0	314.389	1.903	10	10		DDCERO
COc1cccc(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)c1O	ZINC000180114686	407856598	/nfs/dbraw/zinc/85/65/98/407856598.db2.gz	DMZQKSAOGKZAEZ-CYBMUJFWSA-N	1	0	304.350	1.401	10	10		DDCERO
COc1ccc(N2CC[NH+](C[C@@H](O)c3cccnc3)CC2)cc1	ZINC000032229815	406945888	/nfs/dbraw/zinc/94/58/88/406945888.db2.gz	XWCAAAMQXXZGCU-GOSISDBHSA-N	1	0	313.401	1.946	10	10		DDCERO
COc1cccc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1O	ZINC000180232545	278011479	/nfs/dbraw/zinc/01/14/79/278011479.db2.gz	PLTKBNAEBIQPAN-ZFWWWQNUSA-N	1	0	306.406	1.553	10	10		DDCERO
C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCCO1	ZINC000183160331	697484172	/nfs/dbraw/zinc/48/41/72/697484172.db2.gz	VWICVDJDMJXVLY-CJNGLKHVSA-N	1	0	305.422	1.526	10	10		DDCERO
CCOCCN1CC[N@H+](Cc2cc(OC)ccc2O)C[C@H]1C	ZINC000245637794	698336313	/nfs/dbraw/zinc/33/63/13/698336313.db2.gz	CNEGCDFRNVTGPQ-CQSZACIVSA-N	1	0	308.422	1.943	10	10		DDCERO
CCOc1cccc(CN2CCO[C@H](c3nnc(C)[nH]3)C2)c1O	ZINC000180109908	407854978	/nfs/dbraw/zinc/85/49/78/407854978.db2.gz	DRRNKILVJDPSHD-AWEZNQCLSA-N	1	0	318.377	1.791	10	10		DDCERO
Cc1ccc(O)c(C[NH+]2CCN(c3ccc4nncn4n3)CC2)c1	ZINC000120503040	408131131	/nfs/dbraw/zinc/13/11/31/408131131.db2.gz	PTFBHLLFXMLGLB-UHFFFAOYSA-N	1	0	324.388	1.461	10	10		DDCERO
C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1c(O)cccc1Br	ZINC000706863871	699245502	/nfs/dbraw/zinc/24/55/02/699245502.db2.gz	VHOIUUOMXYURGT-KWQFWETISA-N	1	0	313.195	1.911	10	10		DDCERO
C[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)CC1(C)OCCO1	ZINC000715964041	699279133	/nfs/dbraw/zinc/27/91/33/699279133.db2.gz	CLZJLLUWEDSDCT-NSHDSACASA-N	1	0	309.362	2.000	10	10		DDCERO
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)C=[N+]=N	ZINC000575409174	422295812	/nfs/dbraw/zinc/29/58/12/422295812.db2.gz	HCSDLRWDCQKYHM-ZDUSSCGKSA-O	1	0	320.369	1.976	10	10		DDCERO
CC[C@H]1CN(C(=O)Cc2ccc(N)cc2)CC[N@@H+]1C[C@H](C)O	ZINC000246553045	523227691	/nfs/dbraw/zinc/22/76/91/523227691.db2.gz	UABBIPDHRPORKI-BBRMVZONSA-N	1	0	305.422	1.115	10	10		DDCERO
C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCCO1	ZINC000183160346	697484208	/nfs/dbraw/zinc/48/42/08/697484208.db2.gz	VWICVDJDMJXVLY-XJKSGUPXSA-N	1	0	305.422	1.526	10	10		DDCERO
CN1CCO[C@H](C[NH2+]Cc2cc(Br)ccc2O)C1	ZINC000105471207	194106604	/nfs/dbraw/zinc/10/66/04/194106604.db2.gz	DAQADDIQPKBPTR-GFCCVEGCSA-N	1	0	315.211	1.575	10	10		DDCERO
CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1	ZINC000122653791	696723987	/nfs/dbraw/zinc/72/39/87/696723987.db2.gz	VWVUCPWOFWHWQE-QGZVFWFLSA-N	1	0	317.433	1.576	10	10		DDCERO
Nc1ccc(CC(=O)NCC[NH2+]C[C@H](O)c2ccccc2)cc1	ZINC000040801764	352301366	/nfs/dbraw/zinc/30/13/66/352301366.db2.gz	JWKRTSQGEHJDAV-KRWDZBQOSA-N	1	0	313.401	1.251	10	10		DDCERO
NS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(O)cc2O)cc1	ZINC000019980652	182173239	/nfs/dbraw/zinc/17/32/39/182173239.db2.gz	MNOCMLYVUIHMRR-UHFFFAOYSA-N	1	0	308.359	1.035	10	10		DDCERO
CCOc1ccc(O)c(CN2CC[NH+](C[C@@H](O)CC)CC2)c1	ZINC000123594714	407333693	/nfs/dbraw/zinc/33/36/93/407333693.db2.gz	RKYTVEGZWNHKMZ-HNNXBMFYSA-N	1	0	308.422	1.679	10	10		DDCERO
CN(C)c1cc[n+](C(=O)c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)cc1	ZINC000005342403	181231759	/nfs/dbraw/zinc/23/17/59/181231759.db2.gz	UXCHDNFZAXPHJS-UHFFFAOYSA-N	1	0	317.281	1.545	10	10		DDCERO
COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CN2CCCCC2)c1	ZINC000185114996	408759593	/nfs/dbraw/zinc/75/95/93/408759593.db2.gz	YSZIAOYOEHUFNY-KGLIPLIRSA-N	1	0	308.422	1.898	10	10		DDCERO
[NH3+]CCNCCNc1cccc2c1C(=O)c1ccccc1C2=O	ZINC000022442288	182321233	/nfs/dbraw/zinc/32/12/33/182321233.db2.gz	SGQLFRJMNZRWGF-UHFFFAOYSA-N	1	0	309.369	1.422	10	10		DDCERO
C[C@@H](O)C[N@@H+]1CCN(Cc2cc3c(cc2O)OCO3)C[C@H]1C	ZINC000120655693	408138486	/nfs/dbraw/zinc/13/84/86/408138486.db2.gz	BPFUPHAZFAYBNS-VXGBXAGGSA-N	1	0	308.378	1.008	10	10		DDCERO
CN(C)c1ccc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1F	ZINC000170835297	407523607	/nfs/dbraw/zinc/52/36/07/407523607.db2.gz	MAHGXTJDTAEUAX-ZDUSSCGKSA-N	1	0	308.401	1.737	10	10		DDCERO
CCOc1cccc(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)c1O	ZINC000180109924	407854376	/nfs/dbraw/zinc/85/43/76/407854376.db2.gz	DRRNKILVJDPSHD-CQSZACIVSA-N	1	0	318.377	1.791	10	10		DDCERO
CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1	ZINC000121069436	408153430	/nfs/dbraw/zinc/15/34/30/408153430.db2.gz	CFGSFNYZHKYLAE-OAHLLOKOSA-N	1	0	306.406	1.697	10	10		DDCERO
Oc1cc(Br)ccc1C[NH2+][C@@H]1CCOC[C@@H]1O	ZINC000706774940	699244507	/nfs/dbraw/zinc/24/45/07/699244507.db2.gz	GQXDZVOADVYPLS-PWSUYJOCSA-N	1	0	302.168	1.394	10	10		DDCERO
C[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)CC1(C)OCCO1	ZINC000715964036	699279053	/nfs/dbraw/zinc/27/90/53/699279053.db2.gz	CLZJLLUWEDSDCT-LLVKDONJSA-N	1	0	309.362	2.000	10	10		DDCERO
CS(=O)(=O)C[C@H]1CCCN(Cc2cccc(F)c2O)C1	ZINC000294029506	409229201	/nfs/dbraw/zinc/22/92/01/409229201.db2.gz	VLXCBUDAAWXGTE-NSHDSACASA-N	1	0	301.383	1.788	10	10		DDCERO
[NH3+]CCN(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1	ZINC000675068171	545670157	/nfs/dbraw/zinc/67/01/57/545670157.db2.gz	UPUUYSWAFMHPEY-UHFFFAOYSA-N	1	0	300.358	1.628	10	10		DDCERO
Oc1ccc(Br)cc1C[NH2+][C@H]1CCOC[C@@H]1O	ZINC000706777427	699244539	/nfs/dbraw/zinc/24/45/39/699244539.db2.gz	BMYISNIZZZQIGR-JQWIXIFHSA-N	1	0	302.168	1.394	10	10		DDCERO
CC[C@H]1CN(Cc2cccc(OC)c2O)CC[N@@H+]1C[C@@H](C)O	ZINC000120739357	408142822	/nfs/dbraw/zinc/14/28/22/408142822.db2.gz	ZSNUJFJZCRJRMH-HIFRSBDPSA-N	1	0	308.422	1.678	10	10		DDCERO
CC[C@H]1CN(C(=O)c2ccc(C)c(O)c2O)CC[N@@H+]1C[C@@H](C)O	ZINC000182520727	523255612	/nfs/dbraw/zinc/25/56/12/523255612.db2.gz	GFSQBSOSLZZKAM-OLZOCXBDSA-N	1	0	322.405	1.323	10	10		DDCERO
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2ccccc2O)C1	ZINC000702760604	699232072	/nfs/dbraw/zinc/23/20/72/699232072.db2.gz	FAQCJZGTVZNDMA-DZGCQCFKSA-N	1	0	322.405	1.710	10	10		DDCERO
Cn1cc(O[C@@H]2COC[C@@H]2[NH2+]Cc2ccc3c(c2)CCO3)cn1	ZINC000862494660	705723244	/nfs/dbraw/zinc/72/32/44/705723244.db2.gz	QSPADDXBKXBGJU-DOTOQJQBSA-N	1	0	315.373	1.291	10	10		DDCERO
CN1CCO[C@@H](C[NH2+]Cc2cc(Br)ccc2O)C1	ZINC000105471209	194105975	/nfs/dbraw/zinc/10/59/75/194105975.db2.gz	DAQADDIQPKBPTR-LBPRGKRZSA-N	1	0	315.211	1.575	10	10		DDCERO
C[C@H](O)C[N@@H+]1CCN(Cc2cc3c(cc2O)OCO3)C[C@@H]1C	ZINC000245692036	408045986	/nfs/dbraw/zinc/04/59/86/408045986.db2.gz	BPFUPHAZFAYBNS-RYUDHWBXSA-N	1	0	308.378	1.008	10	10		DDCERO
CCOc1cccc(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1O	ZINC000180229068	521343995	/nfs/dbraw/zinc/34/39/95/521343995.db2.gz	NTMUDQQGJTZBOO-GOEBONIOSA-N	1	0	320.433	1.943	10	10		DDCERO
CC[C@H](O)C[NH+]1CCN(Cc2cc(OC)c(OC)cc2O)CC1	ZINC000180163614	522815259	/nfs/dbraw/zinc/81/52/59/522815259.db2.gz	USOINVUKYJVGDT-AWEZNQCLSA-N	1	0	324.421	1.298	10	10		DDCERO
C[C@@H]([NH3+])c1ccc(N2CCNC(=O)[C@@H]2C)c(Br)c1	ZINC000104137915	193984894	/nfs/dbraw/zinc/98/48/94/193984894.db2.gz	YDHHTBHSTFRLRF-BDAKNGLRSA-N	1	0	312.211	1.794	10	10		DDCERO
CC[C@H](O)C[NH+]1CCN(Cc2cc3c(cc2O)OCO3)CC1	ZINC000123596023	407333669	/nfs/dbraw/zinc/33/36/69/407333669.db2.gz	JSADCNDGHXDBQP-ZDUSSCGKSA-N	1	0	308.378	1.009	10	10		DDCERO
COc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)c1	ZINC000183277437	408368780	/nfs/dbraw/zinc/36/87/80/408368780.db2.gz	PQMHBZLXMAIPOQ-UKRRQHHQSA-N	1	0	313.419	1.846	10	10		DDCERO
COc1cc(O)c(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1OC	ZINC000252734012	698403650	/nfs/dbraw/zinc/40/36/50/698403650.db2.gz	XUTMXPJKWTUYDY-STQMWFEESA-N	1	0	324.421	1.296	10	10		DDCERO
O=C1COc2cc([N+](=O)[O-])c(N3CC[N@@H+]4CCC[C@H]4C3)cc2N1	ZINC000246591393	275019323	/nfs/dbraw/zinc/01/93/23/275019323.db2.gz	RIJKVCGQNXRQPD-JTQLQIEISA-N	1	0	318.333	1.210	10	10		DDCERO
C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000155664618	522053394	/nfs/dbraw/zinc/05/33/94/522053394.db2.gz	AKHXLXWVDMUEDL-QGZVFWFLSA-N	1	0	314.433	1.908	10	10		DDCERO
CN(C)c1ccc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1F	ZINC000170835299	407525481	/nfs/dbraw/zinc/52/54/81/407525481.db2.gz	MAHGXTJDTAEUAX-CYBMUJFWSA-N	1	0	308.401	1.737	10	10		DDCERO
Cc1noc([C@@H](C)N2CC[NH+](Cc3ccccc3O)CC2)n1	ZINC000179572091	407805939	/nfs/dbraw/zinc/80/59/39/407805939.db2.gz	AURAPJKUDGHOJL-GFCCVEGCSA-N	1	0	302.378	1.962	10	10		DDCERO
COCCN1CC[N@H+](Cc2cc(OC)c(C)cc2O)C[C@@H]1C	ZINC000245512779	698334326	/nfs/dbraw/zinc/33/43/26/698334326.db2.gz	AZJKJEOWBWADJD-AWEZNQCLSA-N	1	0	308.422	1.862	10	10		DDCERO
CCOc1ccc(O)c(CN2CC[NH+](C[C@H](O)CC)CC2)c1	ZINC000123594904	407333293	/nfs/dbraw/zinc/33/32/93/407333293.db2.gz	RKYTVEGZWNHKMZ-OAHLLOKOSA-N	1	0	308.422	1.679	10	10		DDCERO
CC[C@H]1C[N@H+](Cc2cccc(OC)c2O)CCN1CCOC	ZINC000120954012	408149431	/nfs/dbraw/zinc/14/94/31/408149431.db2.gz	RPCOYDNXYPAPSW-HNNXBMFYSA-N	1	0	308.422	1.943	10	10		DDCERO
CN(C)c1ccc(CNC(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000178638853	221873217	/nfs/dbraw/zinc/87/32/17/221873217.db2.gz	SVXSMKGLFLBTKC-QGZVFWFLSA-N	1	0	316.449	1.149	10	10		DDCERO
COc1cc(Cl)cc(C[NH2+]C[C@H]2CN(C)CCO2)c1O	ZINC000228673795	222205996	/nfs/dbraw/zinc/20/59/96/222205996.db2.gz	ARQHSMWOPRYAGI-LBPRGKRZSA-N	1	0	300.786	1.474	10	10		DDCERO
Cn1cc(CN2CCC[N@H+](Cc3ccccc3O)CC2)cn1	ZINC000179572238	407806651	/nfs/dbraw/zinc/80/66/51/407806651.db2.gz	XWFLVQURWHOIDE-UHFFFAOYSA-N	1	0	300.406	1.834	10	10		DDCERO
COCC[N@@H+]1CCN(Cc2cc3c(cc2O)OCO3)C[C@H]1C	ZINC000117321943	407831310	/nfs/dbraw/zinc/83/13/10/407831310.db2.gz	FNJFDDSXQYXVSN-GFCCVEGCSA-N	1	0	308.378	1.273	10	10		DDCERO
COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CN2CCCCC2)c1	ZINC000185115023	408761157	/nfs/dbraw/zinc/76/11/57/408761157.db2.gz	YSZIAOYOEHUFNY-ZIAGYGMSSA-N	1	0	308.422	1.898	10	10		DDCERO
C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1N1CCOCC1	ZINC000245790263	222218792	/nfs/dbraw/zinc/21/87/92/222218792.db2.gz	VZMKAHRBDNPEET-TZMCWYRMSA-N	1	0	320.389	1.273	10	10		DDCERO
Oc1cccc(Br)c1C[NH2+][C@H]1CCOC[C@H]1O	ZINC000706808759	699244839	/nfs/dbraw/zinc/24/48/39/699244839.db2.gz	ZIZNVDKMYIUBLT-CMPLNLGQSA-N	1	0	302.168	1.394	10	10		DDCERO
COc1cc(O)c(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1OC	ZINC000180084756	697444334	/nfs/dbraw/zinc/44/43/34/697444334.db2.gz	XUTMXPJKWTUYDY-QWHCGFSZSA-N	1	0	324.421	1.296	10	10		DDCERO
C/C=C/C[C@@H](C)C(=O)C(=C(O)C(=O)[C@@H]([NH2+]C)C(C)C)N(C)C	ZINC000077320010	406984120	/nfs/dbraw/zinc/98/41/20/406984120.db2.gz	SWMXIVDXWWESMC-YKRSTSSUSA-N	1	0	310.438	1.470	10	10	in-vitro	DDCERO
Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccccc3O)C2=O)n(C)n1	ZINC000173854695	407900945	/nfs/dbraw/zinc/90/09/45/407900945.db2.gz	JCZGWMAPWREYFF-CQSZACIVSA-N	1	0	314.389	1.719	10	10		DDCERO
COc1cccc(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1O	ZINC000245759840	222218117	/nfs/dbraw/zinc/21/81/17/222218117.db2.gz	PLTKBNAEBIQPAN-DZGCQCFKSA-N	1	0	306.406	1.553	10	10		DDCERO
Cn1cc(CN2CCC[N@H+](Cc3cc(F)ccc3O)CC2)cn1	ZINC000180111626	527199225	/nfs/dbraw/zinc/19/92/25/527199225.db2.gz	QYHNVXWDVWNOII-UHFFFAOYSA-N	1	0	318.396	1.973	10	10		DDCERO
C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1N1CCOCC1	ZINC000180234708	524986886	/nfs/dbraw/zinc/98/68/86/524986886.db2.gz	VZMKAHRBDNPEET-OCCSQVGLSA-N	1	0	320.389	1.273	10	10		DDCERO
CCOc1cccc(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1O	ZINC000245697780	408046080	/nfs/dbraw/zinc/04/60/80/408046080.db2.gz	CPEZPBWTCGTQIX-KBPBESRZSA-N	1	0	308.422	1.678	10	10		DDCERO
C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1N1CCOCC1	ZINC000245790260	222218576	/nfs/dbraw/zinc/21/85/76/222218576.db2.gz	VZMKAHRBDNPEET-GXTWGEPZSA-N	1	0	320.389	1.273	10	10		DDCERO
c1nc2c([nH]1)C1(CCN(c3ccc4c(c3)OCO4)CC1)[NH2+]CC2	ZINC000065373191	275076076	/nfs/dbraw/zinc/07/60/76/275076076.db2.gz	NZRCXHLAFNONSO-UHFFFAOYSA-N	1	0	312.373	1.780	10	10		DDCERO
CN1CCCc2cc(CNC(=O)N3CC[C@H]([NH+](C)C)C3)ccc21	ZINC000170835329	407524196	/nfs/dbraw/zinc/52/41/96/407524196.db2.gz	RLZGGDHDFQULQX-INIZCTEOSA-N	1	0	316.449	1.915	10	10		DDCERO
COCC[N@@H+]1CCN(Cc2cc3c(cc2O)OCO3)C[C@@H]1C	ZINC000117321946	407831992	/nfs/dbraw/zinc/83/19/92/407831992.db2.gz	FNJFDDSXQYXVSN-LBPRGKRZSA-N	1	0	308.378	1.273	10	10		DDCERO
CC[C@@H]1C[N@H+](Cc2cccc(OC)c2O)CCN1CCOC	ZINC000120953819	408149900	/nfs/dbraw/zinc/14/99/00/408149900.db2.gz	RPCOYDNXYPAPSW-OAHLLOKOSA-N	1	0	308.422	1.943	10	10		DDCERO
CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1	ZINC000180234631	521145695	/nfs/dbraw/zinc/14/56/95/521145695.db2.gz	SIPXCNSMNNTITG-RHSMWYFYSA-N	1	0	320.433	1.943	10	10		DDCERO
COc1cc(O)c(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1OC	ZINC000252734011	698403481	/nfs/dbraw/zinc/40/34/81/698403481.db2.gz	XUTMXPJKWTUYDY-OLZOCXBDSA-N	1	0	324.421	1.296	10	10		DDCERO
O=C1COc2cc([N+](=O)[O-])c(N3CC[N@@H+]4CCC[C@@H]4C3)cc2N1	ZINC000177825329	408723138	/nfs/dbraw/zinc/72/31/38/408723138.db2.gz	RIJKVCGQNXRQPD-SNVBAGLBSA-N	1	0	318.333	1.210	10	10		DDCERO
COc1cc(O)c(CN2CCO[C@@H](C[NH+](C)C)C2)cc1OC	ZINC000160264593	522776283	/nfs/dbraw/zinc/77/62/83/522776283.db2.gz	BNMOIFCCUGYSDH-ZDUSSCGKSA-N	1	0	310.394	1.172	10	10		DDCERO
C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1N1CCOCC1	ZINC000180224019	524997267	/nfs/dbraw/zinc/99/72/67/524997267.db2.gz	UTBZPGUTDSJLQR-QAPCUYQASA-N	1	0	303.450	1.905	10	10		DDCERO
N=[N+]=CC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000096295152	407257963	/nfs/dbraw/zinc/25/79/63/407257963.db2.gz	BAAMNSBTMNZWBE-OAHLLOKOSA-N	1	0	320.328	1.773	10	10		DDCERO
COc1cccc(CN2CCO[C@H](c3nnc(C)[nH]3)C2)c1O	ZINC000180114669	407854530	/nfs/dbraw/zinc/85/45/30/407854530.db2.gz	DMZQKSAOGKZAEZ-ZDUSSCGKSA-N	1	0	304.350	1.401	10	10		DDCERO
CC(=O)c1cc(F)cc(CN2CCO[C@H](C[NH+](C)C)C2)c1O	ZINC000175653766	408177596	/nfs/dbraw/zinc/17/75/96/408177596.db2.gz	MDDBKZLNBQOTOP-CQSZACIVSA-N	1	0	310.369	1.496	10	10		DDCERO
CCOc1ccc(O)c(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1	ZINC000245701669	698337019	/nfs/dbraw/zinc/33/70/19/698337019.db2.gz	DGWSTLVIRALEFV-KGLIPLIRSA-N	1	0	308.422	1.678	10	10		DDCERO
CCCNC(=O)C[NH2+]Cc1cc(Br)ccc1O	ZINC000227434913	222206190	/nfs/dbraw/zinc/20/61/90/222206190.db2.gz	PQGSBOKCNZNZHM-UHFFFAOYSA-N	1	0	301.184	1.771	10	10		DDCERO
C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1N1CCOCC1	ZINC000245783701	222218396	/nfs/dbraw/zinc/21/83/96/222218396.db2.gz	UTBZPGUTDSJLQR-MAUKXSAKSA-N	1	0	303.450	1.905	10	10		DDCERO
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1ccc(O)c(O)c1	ZINC000180779866	525081640	/nfs/dbraw/zinc/08/16/40/525081640.db2.gz	JVSGFQVUVWFVKY-RCOIXESOSA-N	1	0	302.374	1.806	10	10		DDCERO
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[N@@H+]2CCCC[C@H]2C1	ZINC000180716733	527614210	/nfs/dbraw/zinc/61/42/10/527614210.db2.gz	OUYHSESPHLLYFQ-DYLGSBMWSA-N	1	0	302.374	1.808	10	10		DDCERO
CC[C@H]1CN(Cc2cc(OC)ccc2O)CC[N@@H+]1C[C@@H](C)O	ZINC000180085470	523287294	/nfs/dbraw/zinc/28/72/94/523287294.db2.gz	PAAXFQWFFALNLU-HIFRSBDPSA-N	1	0	308.422	1.678	10	10		DDCERO
CC[C@H]1C[N@H+](Cc2cc(OC)ccc2O)CCN1CCOC	ZINC000180087259	523289291	/nfs/dbraw/zinc/28/92/91/523289291.db2.gz	ACBPOABNOLOWOV-HNNXBMFYSA-N	1	0	308.422	1.943	10	10		DDCERO
COc1cccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1O	ZINC000128470954	525938848	/nfs/dbraw/zinc/93/88/48/525938848.db2.gz	QBTYUSBGKBVXCT-ZDUSSCGKSA-N	1	0	302.378	1.905	10	10		DDCERO
Oc1cc(Br)ccc1C[NH2+][C@H]1CCOC[C@H]1O	ZINC000706774936	699244530	/nfs/dbraw/zinc/24/45/30/699244530.db2.gz	GQXDZVOADVYPLS-CMPLNLGQSA-N	1	0	302.168	1.394	10	10		DDCERO
C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1c(O)cccc1Br	ZINC000706863869	699244920	/nfs/dbraw/zinc/24/49/20/699244920.db2.gz	VHOIUUOMXYURGT-GZMMTYOYSA-N	1	0	313.195	1.911	10	10		DDCERO
CC[C@H]1CN(C(=O)c2cccc(O)c2O)CC[N@@H+]1C[C@@H](C)O	ZINC000193152476	408701990	/nfs/dbraw/zinc/70/19/90/408701990.db2.gz	KKGGDLIBISGYMY-NEPJUHHUSA-N	1	0	308.378	1.015	10	10		DDCERO
CCOc1cccc(CN2CC[NH+](C[C@@H](O)CC)CC2)c1O	ZINC000123529634	407331090	/nfs/dbraw/zinc/33/10/90/407331090.db2.gz	VAWYWKKTYOVBHG-HNNXBMFYSA-N	1	0	308.422	1.679	10	10		DDCERO
Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c(C)n1-c1ccccc1	ZINC000262146301	222272986	/nfs/dbraw/zinc/27/29/86/222272986.db2.gz	HMCAVEQSSBCKGS-YOEHRIQHSA-N	1	0	313.401	1.404	10	10		DDCERO
CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1O	ZINC000180229087	521343955	/nfs/dbraw/zinc/34/39/55/521343955.db2.gz	NTMUDQQGJTZBOO-GDBMZVCRSA-N	1	0	320.433	1.943	10	10		DDCERO
COc1cccc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1O	ZINC000245759845	222218476	/nfs/dbraw/zinc/21/84/76/222218476.db2.gz	PLTKBNAEBIQPAN-UKRRQHHQSA-N	1	0	306.406	1.553	10	10		DDCERO
CC[C@@H]1CN(Cc2cc(OC)ccc2O)CC[N@@H+]1C[C@@H](C)O	ZINC000180085449	523449240	/nfs/dbraw/zinc/44/92/40/523449240.db2.gz	PAAXFQWFFALNLU-UKRRQHHQSA-N	1	0	308.422	1.678	10	10		DDCERO
C/C=C/C[C@@H](C)C(=O)C(=C(O)C(=O)[C@@H]([NH2+]C)C(C)C)N(C)C	ZINC000077320013	406983963	/nfs/dbraw/zinc/98/39/63/406983963.db2.gz	SWMXIVDXWWESMC-BJVJZSAUSA-N	1	0	310.438	1.470	10	10	in-vitro	DDCERO
CCOc1ccc(O)c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1	ZINC000121069301	408154635	/nfs/dbraw/zinc/15/46/35/408154635.db2.gz	CFGSFNYZHKYLAE-HNNXBMFYSA-N	1	0	306.406	1.697	10	10		DDCERO
CCOc1cccc(C[N@@H+]2CCN(CCOC)[C@H](C)C2)c1O	ZINC000120808993	696701482	/nfs/dbraw/zinc/70/14/82/696701482.db2.gz	OYHCDLTZOJTNOD-CQSZACIVSA-N	1	0	308.422	1.943	10	10		DDCERO
Oc1cc2c(cc1C[N@@H+]1CC[C@H](N3CCOCC3)C1)OCO2	ZINC000172960928	407857587	/nfs/dbraw/zinc/85/75/87/407857587.db2.gz	JPJJDZHJTPTZCZ-ZDUSSCGKSA-N	1	0	306.362	1.027	10	10		DDCERO
CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cc(OC)ccc2O)C1	ZINC000114590784	696662175	/nfs/dbraw/zinc/66/21/75/696662175.db2.gz	QQJNDIDOCNBCJM-CYBMUJFWSA-N	1	0	307.394	1.684	10	10		DDCERO
N=[N+]=CC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000096295151	407257911	/nfs/dbraw/zinc/25/79/11/407257911.db2.gz	BAAMNSBTMNZWBE-HNNXBMFYSA-N	1	0	320.328	1.773	10	10		DDCERO
Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](n3cncn3)C1)OCO2	ZINC000179470174	407792198	/nfs/dbraw/zinc/79/21/98/407792198.db2.gz	VNPTURDWBCCARL-GFCCVEGCSA-N	1	0	302.334	1.550	10	10		DDCERO
C/C=C/C[C@@H](C)[C@@H](O)[C@@H](C(=O)C(=O)[C@@H]([NH2+]C)C(C)C)N(C)C	ZINC000077286307	406982931	/nfs/dbraw/zinc/98/29/31/406982931.db2.gz	NEIFYFOCFQBPTE-BUWSWMSDSA-N	1	0	312.454	1.262	10	10	in-vitro	DDCERO
Oc1cc2c(cc1CN1CCO[C@H](Cn3cccn3)C1)OCO2	ZINC000152830740	407698103	/nfs/dbraw/zinc/69/81/03/407698103.db2.gz	BLAOCOMCZCYTAA-ZDUSSCGKSA-N	1	0	317.345	1.218	10	10		DDCERO
C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCCO1	ZINC000183090875	525302162	/nfs/dbraw/zinc/30/21/62/525302162.db2.gz	FBGQHJNJRRJMCG-YOEHRIQHSA-N	1	0	319.449	1.868	10	10		DDCERO
CN1CCCc2cc(CNC(=O)N3CC[C@@H]([NH+](C)C)C3)ccc21	ZINC000170835331	407524515	/nfs/dbraw/zinc/52/45/15/407524515.db2.gz	RLZGGDHDFQULQX-MRXNPFEDSA-N	1	0	316.449	1.915	10	10		DDCERO
CC[N@@H+]1CCC[C@H](NC(=O)NCc2cc(OC)ccc2O)C1	ZINC000114590782	696662147	/nfs/dbraw/zinc/66/21/47/696662147.db2.gz	QQJNDIDOCNBCJM-ZDUSSCGKSA-N	1	0	307.394	1.684	10	10		DDCERO
NCC[NH2+]CCCOc1cccc2c1C(=O)c1ccccc1C2=O	ZINC000022442301	182321309	/nfs/dbraw/zinc/32/13/09/182321309.db2.gz	URPYAUBVVJBZKJ-UHFFFAOYSA-N	1	0	324.380	1.779	10	10		DDCERO
CC[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CC[N@@H+]1C[C@H](C)O	ZINC000246553063	523388963	/nfs/dbraw/zinc/38/89/63/523388963.db2.gz	UABBIPDHRPORKI-XJKSGUPXSA-N	1	0	305.422	1.115	10	10		DDCERO
Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1Cn1ccnc1)OCO2	ZINC000188410505	697558906	/nfs/dbraw/zinc/55/89/06/697558906.db2.gz	UVIPSDLFFWUDLQ-ZDUSSCGKSA-N	1	0	301.346	1.982	10	10		DDCERO
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+]Cc2ccccc2O)C1	ZINC000702760611	699232483	/nfs/dbraw/zinc/23/24/83/699232483.db2.gz	FAQCJZGTVZNDMA-ZFWWWQNUSA-N	1	0	322.405	1.710	10	10		DDCERO
CC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC[N@@H+]1C[C@H](C)O	ZINC000245698659	408045941	/nfs/dbraw/zinc/04/59/41/408045941.db2.gz	CRBJIWCJGZSTSJ-GXTWGEPZSA-N	1	0	322.405	1.398	10	10		DDCERO
CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1	ZINC000245774320	222218424	/nfs/dbraw/zinc/21/84/24/222218424.db2.gz	SIPXCNSMNNTITG-PBHICJAKSA-N	1	0	320.433	1.943	10	10		DDCERO
CC[C@H]1CN(Cc2cccc(OC)c2O)CC[N@@H+]1C[C@H](C)O	ZINC000245813325	408070104	/nfs/dbraw/zinc/07/01/04/408070104.db2.gz	ZSNUJFJZCRJRMH-ZFWWWQNUSA-N	1	0	308.422	1.678	10	10		DDCERO
CCOc1ccc(O)c(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1	ZINC000245701673	698337368	/nfs/dbraw/zinc/33/73/68/698337368.db2.gz	DGWSTLVIRALEFV-UONOGXRCSA-N	1	0	308.422	1.678	10	10		DDCERO
C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cccc(O)c2O)CC1	ZINC000193120273	408696530	/nfs/dbraw/zinc/69/65/30/408696530.db2.gz	GMYRXCVLCFEQDF-GFCCVEGCSA-N	1	0	322.405	1.263	10	10		DDCERO
CN(C)c1ccc(CNC(=O)CN2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000246590881	222223372	/nfs/dbraw/zinc/22/33/72/222223372.db2.gz	SVXSMKGLFLBTKC-KRWDZBQOSA-N	1	0	316.449	1.149	10	10		DDCERO
COc1cc(N2CC[NH+](CC(C)(C)O)CC2)cc(OC)c1OC	ZINC000183700536	408470954	/nfs/dbraw/zinc/47/09/54/408470954.db2.gz	MJCPVYFLZIIDMC-UHFFFAOYSA-N	1	0	324.421	1.605	10	10		DDCERO
Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c(C)n1-c1ccccc1	ZINC000262146298	222273088	/nfs/dbraw/zinc/27/30/88/222273088.db2.gz	HMCAVEQSSBCKGS-WMLDXEAASA-N	1	0	313.401	1.404	10	10		DDCERO
Oc1ccccc1C[NH+]1CCN(c2ccc3nncn3n2)CC1	ZINC000179571489	407806513	/nfs/dbraw/zinc/80/65/13/407806513.db2.gz	CHALSYNQZQOZAE-UHFFFAOYSA-N	1	0	310.361	1.152	10	10		DDCERO
CC[C@@H]1CN(Cc2cccc(OC)c2O)CC[N@@H+]1C[C@H](C)O	ZINC000245813322	408071775	/nfs/dbraw/zinc/07/17/75/408071775.db2.gz	ZSNUJFJZCRJRMH-DZGCQCFKSA-N	1	0	308.422	1.678	10	10		DDCERO
COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)CN2CCCCC2)c1	ZINC000185115009	408762820	/nfs/dbraw/zinc/76/28/20/408762820.db2.gz	YSZIAOYOEHUFNY-UONOGXRCSA-N	1	0	308.422	1.898	10	10		DDCERO
CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)C[N+]#N	ZINC000026671300	406905757	/nfs/dbraw/zinc/90/57/57/406905757.db2.gz	GTLNDAVKPAJMCJ-BXUZGUMPSA-N	1	0	309.391	1.558	10	10		DDCERO
CN(C)c1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1F	ZINC000171905381	407790432	/nfs/dbraw/zinc/79/04/32/407790432.db2.gz	QRGUFZKGAFTGHF-AWEZNQCLSA-N	1	0	320.412	1.881	10	10		DDCERO
Oc1cc2c(cc1C[N@@H+]1CC[C@@H](N3CCOCC3)C1)OCO2	ZINC000172960934	407857221	/nfs/dbraw/zinc/85/72/21/407857221.db2.gz	JPJJDZHJTPTZCZ-CYBMUJFWSA-N	1	0	306.362	1.027	10	10		DDCERO
Cc1cc(N2CCC[C@H]([NH2+]Cc3ccccc3O)C2=O)n(C)n1	ZINC000173854677	407899702	/nfs/dbraw/zinc/89/97/02/407899702.db2.gz	JCZGWMAPWREYFF-AWEZNQCLSA-N	1	0	314.389	1.719	10	10		DDCERO
CN(C)c1ccc(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1	ZINC000116928664	407798842	/nfs/dbraw/zinc/79/88/42/407798842.db2.gz	LROKJWFBBIUITJ-INIZCTEOSA-N	1	0	320.437	1.225	10	10		DDCERO
COc1cc(O)c(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1OC	ZINC000180084737	697444258	/nfs/dbraw/zinc/44/42/58/697444258.db2.gz	XUTMXPJKWTUYDY-CHWSQXEVSA-N	1	0	324.421	1.296	10	10		DDCERO
CCOc1cccc(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1O	ZINC000245697785	408045895	/nfs/dbraw/zinc/04/58/95/408045895.db2.gz	CPEZPBWTCGTQIX-KGLIPLIRSA-N	1	0	308.422	1.678	10	10		DDCERO
COc1cc(O)c(C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1OC	ZINC000180066871	522774672	/nfs/dbraw/zinc/77/46/72/522774672.db2.gz	KBCFSQIYBJIYGU-ZDUSSCGKSA-N	1	0	318.377	1.838	10	10		DDCERO
CCOCCN1CC[N@H+](Cc2cccc(OC)c2O)C[C@@H]1C	ZINC000120890988	696703185	/nfs/dbraw/zinc/70/31/85/696703185.db2.gz	ZVZLOTGVAUTVBL-AWEZNQCLSA-N	1	0	308.422	1.943	10	10		DDCERO
CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cccc(OC)c2O)C1	ZINC000174238562	697386237	/nfs/dbraw/zinc/38/62/37/697386237.db2.gz	VLPPSAPPYPMMJG-CYBMUJFWSA-N	1	0	307.394	1.684	10	10		DDCERO
COc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1O	ZINC000180232526	525954750	/nfs/dbraw/zinc/95/47/50/525954750.db2.gz	PLTKBNAEBIQPAN-HIFRSBDPSA-N	1	0	306.406	1.553	10	10		DDCERO
CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C(=O)N(C)C)c1O	ZINC000177240252	408559517	/nfs/dbraw/zinc/55/95/17/408559517.db2.gz	GXMOWGBMNCUVHD-CQSZACIVSA-N	1	0	308.353	1.787	10	10		DDCERO
CN1C[C@H](C[NH2+]Cc2c(O)cccc2Br)CC1=O	ZINC000723581437	699321333	/nfs/dbraw/zinc/32/13/33/699321333.db2.gz	KPNVMKFPGLNOHC-VIFPVBQESA-N	1	0	313.195	1.723	10	10		DDCERO
CN1C[C@@H](C[NH2+]Cc2cc(Br)ccc2O)CC1=O	ZINC000723600562	699321661	/nfs/dbraw/zinc/32/16/61/699321661.db2.gz	UDMSWMOOFZDEPK-SECBINFHSA-N	1	0	313.195	1.723	10	10		DDCERO
COc1ccc(N2CC[NH+](C[C@H](O)c3cccnc3)CC2)cc1	ZINC000032229817	406945825	/nfs/dbraw/zinc/94/58/25/406945825.db2.gz	XWCAAAMQXXZGCU-SFHVURJKSA-N	1	0	313.401	1.946	10	10		DDCERO
Cn1cc([C@@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)cn1	ZINC000116259149	407734222	/nfs/dbraw/zinc/73/42/22/407734222.db2.gz	KVPBOMLSLBAOHT-LLVKDONJSA-N	1	0	301.346	1.844	10	10		DDCERO
C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1N1CCOCC1	ZINC000245783698	222218372	/nfs/dbraw/zinc/21/83/72/222218372.db2.gz	UTBZPGUTDSJLQR-CRAIPNDOSA-N	1	0	303.450	1.905	10	10		DDCERO
Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c(C)n1-c1ccccc1	ZINC000262146291	222272658	/nfs/dbraw/zinc/27/26/58/222272658.db2.gz	HMCAVEQSSBCKGS-PBHICJAKSA-N	1	0	313.401	1.404	10	10		DDCERO
C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCCO1	ZINC000183160362	697484250	/nfs/dbraw/zinc/48/42/50/697484250.db2.gz	VWICVDJDMJXVLY-CZUORRHYSA-N	1	0	305.422	1.526	10	10		DDCERO
Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1Cn1ccnc1)OCO2	ZINC000188410530	697558964	/nfs/dbraw/zinc/55/89/64/697558964.db2.gz	UVIPSDLFFWUDLQ-CYBMUJFWSA-N	1	0	301.346	1.982	10	10		DDCERO
CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1	ZINC000180234613	521148747	/nfs/dbraw/zinc/14/87/47/521148747.db2.gz	SIPXCNSMNNTITG-WMLDXEAASA-N	1	0	320.433	1.943	10	10		DDCERO
CC[C@@H](O)C[NH+]1CCN(Cc2cc(OC)c(OC)cc2O)CC1	ZINC000180163635	522999452	/nfs/dbraw/zinc/99/94/52/522999452.db2.gz	USOINVUKYJVGDT-CQSZACIVSA-N	1	0	324.421	1.298	10	10		DDCERO
CCOCCN1CC[N@H+](Cc2cccc(OC)c2O)C[C@H]1C	ZINC000245814144	698339456	/nfs/dbraw/zinc/33/94/56/698339456.db2.gz	ZVZLOTGVAUTVBL-CQSZACIVSA-N	1	0	308.422	1.943	10	10		DDCERO
C[N@H+](CCOc1ccc(C(N)=O)cc1)CCc1ccc(N)cc1	ZINC000034334376	352291875	/nfs/dbraw/zinc/29/18/75/352291875.db2.gz	ZSNMDJBLRIOITA-UHFFFAOYSA-N	1	0	313.401	1.921	10	10		DDCERO
CC(=O)c1cc(F)cc(CN2CCO[C@@H](C[NH+](C)C)C2)c1O	ZINC000175653789	408177994	/nfs/dbraw/zinc/17/79/94/408177994.db2.gz	MDDBKZLNBQOTOP-AWEZNQCLSA-N	1	0	310.369	1.496	10	10		DDCERO
COc1ccc(N2CCN(C(=O)[C@]3(C)CCCC[NH2+]3)CC2)cc1	ZINC000180977989	697453934	/nfs/dbraw/zinc/45/39/34/697453934.db2.gz	VWAVXXYNZJEKON-SFHVURJKSA-N	1	0	317.433	1.876	10	10		DDCERO
CC(C)[C@@H]([NH2+]Cc1cc(Br)ccc1O)C(N)=O	ZINC000223957008	697763300	/nfs/dbraw/zinc/76/33/00/697763300.db2.gz	IXQZZMRTVOQBAG-LLVKDONJSA-N	1	0	301.184	1.754	10	10		DDCERO
Oc1ccc(Br)cc1C[NH2+][C@@H]1CCOC[C@@H]1O	ZINC000706777428	699244524	/nfs/dbraw/zinc/24/45/24/699244524.db2.gz	BMYISNIZZZQIGR-PWSUYJOCSA-N	1	0	302.168	1.394	10	10		DDCERO
Nc1ccc(C[NH+]2CCOCCOCCOCCOCC2)cc1	ZINC000090599359	185305792	/nfs/dbraw/zinc/30/57/92/185305792.db2.gz	JNWVSGZOLFRQAS-UHFFFAOYSA-N	1	0	324.421	1.151	10	10		DDCERO
CC[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC[N@@H+]1C[C@H](C)O	ZINC000245698661	408046948	/nfs/dbraw/zinc/04/69/48/408046948.db2.gz	CRBJIWCJGZSTSJ-JSGCOSHPSA-N	1	0	322.405	1.398	10	10		DDCERO
Oc1cccc(Br)c1C[NH2+][C@H]1CCOC[C@@H]1O	ZINC000706808761	699245013	/nfs/dbraw/zinc/24/50/13/699245013.db2.gz	ZIZNVDKMYIUBLT-JQWIXIFHSA-N	1	0	302.168	1.394	10	10		DDCERO
Oc1cc2c(cc1C[N@@H+]1CCC[C@H](n3cncn3)C1)OCO2	ZINC000179470163	407791265	/nfs/dbraw/zinc/79/12/65/407791265.db2.gz	VNPTURDWBCCARL-LBPRGKRZSA-N	1	0	302.334	1.550	10	10		DDCERO
COc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1	ZINC000245940815	222219299	/nfs/dbraw/zinc/21/92/99/222219299.db2.gz	UIFNEZBQMXQEMY-XJKSGUPXSA-N	1	0	306.406	1.553	10	10		DDCERO
C[NH+](C)[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000155664741	522103041	/nfs/dbraw/zinc/10/30/41/522103041.db2.gz	AKHXLXWVDMUEDL-KRWDZBQOSA-N	1	0	314.433	1.908	10	10		DDCERO
C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1c(O)cccc1Br	ZINC000706863870	699245402	/nfs/dbraw/zinc/24/54/02/699245402.db2.gz	VHOIUUOMXYURGT-KCJUWKMLSA-N	1	0	313.195	1.911	10	10		DDCERO
CN1C[C@@H](C[NH2+]Cc2ccc(Br)cc2O)CC1=O	ZINC000723594570	699321810	/nfs/dbraw/zinc/32/18/10/699321810.db2.gz	MUIOWCKFIARTLS-SECBINFHSA-N	1	0	313.195	1.723	10	10		DDCERO
CC[NH+](CC)[C@@H](C)CNC(=O)NCc1cccc(OC)c1O	ZINC000073654728	191336291	/nfs/dbraw/zinc/33/62/91/191336291.db2.gz	VTDIKXSRTWGBTC-LBPRGKRZSA-N	1	0	309.410	1.930	10	10		DDCERO
COc1cc(O)c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1OC	ZINC000160297520	408468881	/nfs/dbraw/zinc/46/88/81/408468881.db2.gz	WBSJRJAKINXZIZ-CQSZACIVSA-N	1	0	322.405	1.316	10	10		DDCERO
CC[C@@H](O)C[NH+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	ZINC000180759849	522996321	/nfs/dbraw/zinc/99/63/21/522996321.db2.gz	CUYQVYCPCHNZEF-YVARQFDVSA-N	1	0	320.389	1.026	10	10		DDCERO
CC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2O)CC[N@@H+]1C[C@@H](C)O	ZINC000182520707	523423511	/nfs/dbraw/zinc/42/35/11/523423511.db2.gz	GFSQBSOSLZZKAM-CHWSQXEVSA-N	1	0	322.405	1.323	10	10		DDCERO
COc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1	ZINC000180655246	524744944	/nfs/dbraw/zinc/74/49/44/524744944.db2.gz	UIFNEZBQMXQEMY-CJNGLKHVSA-N	1	0	306.406	1.553	10	10		DDCERO
C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCCO1	ZINC000183090918	525302439	/nfs/dbraw/zinc/30/24/39/525302439.db2.gz	FBGQHJNJRRJMCG-WMLDXEAASA-N	1	0	319.449	1.868	10	10		DDCERO
CCOc1ccc(O)c(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1	ZINC000245701665	698337076	/nfs/dbraw/zinc/33/70/76/698337076.db2.gz	DGWSTLVIRALEFV-KBPBESRZSA-N	1	0	308.422	1.678	10	10		DDCERO
CN(C)c1ccc(CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1	ZINC000116928663	407797434	/nfs/dbraw/zinc/79/74/34/407797434.db2.gz	LROKJWFBBIUITJ-MRXNPFEDSA-N	1	0	320.437	1.225	10	10		DDCERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000181184909	519691417	/nfs/dbraw/zinc/69/14/17/519691417.db2.gz	MKZFDDIBRVEDIL-FROLJDDGSA-N	1	0	304.390	1.956	10	10		DDCERO
COCC[N@@H+]1CCN(Cc2cc(OC)c(OC)cc2O)C[C@@H]1C	ZINC000160212105	523856825	/nfs/dbraw/zinc/85/68/25/523856825.db2.gz	SAJOSJWSWSSSIP-ZDUSSCGKSA-N	1	0	324.421	1.562	10	10		DDCERO
COc1cccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1O	ZINC000128471199	525938676	/nfs/dbraw/zinc/93/86/76/525938676.db2.gz	QBTYUSBGKBVXCT-CYBMUJFWSA-N	1	0	302.378	1.905	10	10		DDCERO
CCOCCN1CC[N@H+](Cc2cc(OC)ccc2O)C[C@@H]1C	ZINC000180086737	697444409	/nfs/dbraw/zinc/44/44/09/697444409.db2.gz	CNEGCDFRNVTGPQ-AWEZNQCLSA-N	1	0	308.422	1.943	10	10		DDCERO
CC(C)[C@H]([NH2+]Cc1cc(Br)ccc1O)C(N)=O	ZINC000223957054	697763065	/nfs/dbraw/zinc/76/30/65/697763065.db2.gz	IXQZZMRTVOQBAG-NSHDSACASA-N	1	0	301.184	1.754	10	10		DDCERO
CN(C)c1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000171807063	407771194	/nfs/dbraw/zinc/77/11/94/407771194.db2.gz	FUCYQOZEMOTSTB-MRXNPFEDSA-N	1	0	302.422	1.742	10	10		DDCERO
CCOc1ccc(O)c(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1	ZINC000120654718	696699171	/nfs/dbraw/zinc/69/91/71/696699171.db2.gz	DGWSTLVIRALEFV-ZIAGYGMSSA-N	1	0	308.422	1.678	10	10		DDCERO
CC[C@@H](O)C[NH+]1CCN(Cc2cc3c(cc2O)OCO3)CC1	ZINC000123596282	407333831	/nfs/dbraw/zinc/33/38/31/407333831.db2.gz	JSADCNDGHXDBQP-CYBMUJFWSA-N	1	0	308.378	1.009	10	10		DDCERO
C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cccc(O)c2O)CC1	ZINC000193120262	408696827	/nfs/dbraw/zinc/69/68/27/408696827.db2.gz	GMYRXCVLCFEQDF-LBPRGKRZSA-N	1	0	322.405	1.263	10	10		DDCERO
COc1ccc(O)c(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1	ZINC000180655263	524749808	/nfs/dbraw/zinc/74/98/08/524749808.db2.gz	UIFNEZBQMXQEMY-BBRMVZONSA-N	1	0	306.406	1.553	10	10		DDCERO
COc1cc(O)c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1OC	ZINC000160297392	418516982	/nfs/dbraw/zinc/51/69/82/418516982.db2.gz	WBSJRJAKINXZIZ-AWEZNQCLSA-N	1	0	322.405	1.316	10	10		DDCERO
Oc1cc2c(cc1C[N@@H+]1CC[C@H](N3CCOCC3)C1)CCC2	ZINC000172959730	697374586	/nfs/dbraw/zinc/37/45/86/697374586.db2.gz	BGRINRNDTWELDP-KRWDZBQOSA-N	1	0	302.418	1.787	10	10		DDCERO
CN1C[C@@H](C[NH2+]Cc2c(O)cccc2Br)CC1=O	ZINC000723581425	699321121	/nfs/dbraw/zinc/32/11/21/699321121.db2.gz	KPNVMKFPGLNOHC-SECBINFHSA-N	1	0	313.195	1.723	10	10		DDCERO
Oc1cc2c(cc1C[N@@H+]1CCC[C@H](Cn3cncn3)C1)OCO2	ZINC000128621574	526334004	/nfs/dbraw/zinc/33/40/04/526334004.db2.gz	QJPVDNXQKJYTLX-LBPRGKRZSA-N	1	0	316.361	1.625	10	10		DDCERO
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[N@@H+]2CCCC[C@@H]2C1	ZINC000180716710	527614297	/nfs/dbraw/zinc/61/42/97/527614297.db2.gz	OUYHSESPHLLYFQ-HZRUHFOJSA-N	1	0	302.374	1.808	10	10		DDCERO
CN1CCO[C@H](C[NH2+]Cc2c(O)cccc2Br)C1	ZINC000706807804	699245023	/nfs/dbraw/zinc/24/50/23/699245023.db2.gz	GLHNGAQEEVHTIR-SNVBAGLBSA-N	1	0	315.211	1.575	10	10		DDCERO
CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ccc(N3CCOCC3)cc2)C1	ZINC000583617865	422200866	/nfs/dbraw/zinc/20/08/66/422200866.db2.gz	BIOLOWBGQWZVLJ-DLBZAZTESA-N	1	0	306.406	1.105	10	10		DDCERO
COc1cc(O)c(CN2CCO[C@H](C[NH+](C)C)C2)cc1OC	ZINC000160264470	522776892	/nfs/dbraw/zinc/77/68/92/522776892.db2.gz	BNMOIFCCUGYSDH-CYBMUJFWSA-N	1	0	310.394	1.172	10	10		DDCERO
COCCN1CC[N@H+](Cc2cc(C)cc(OC)c2O)C[C@@H]1C	ZINC000246177538	698344753	/nfs/dbraw/zinc/34/47/53/698344753.db2.gz	CYFLSQMVGKGSPV-AWEZNQCLSA-N	1	0	308.422	1.862	10	10		DDCERO
CC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC[N@@H+]1CCOC	ZINC000117323975	407829398	/nfs/dbraw/zinc/82/93/98/407829398.db2.gz	RENZMXKCGBCSPH-CQSZACIVSA-N	1	0	322.405	1.664	10	10		DDCERO