smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc([C@@H](N)CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)cc1	ZINC000852792688	589512199	/nfs/dbraw/zinc/51/21/99/589512199.db2.gz	ZQZNFJRFFNOZAL-CJNGLKHVSA-N	1	3	342.447	0.982	20	10		ECCDHO
[NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cc2c(cc1O)OCO2	ZINC000843122826	589051779	/nfs/dbraw/zinc/05/17/79/589051779.db2.gz	VNQHJYBXHGSQQA-CYBMUJFWSA-N	1	3	335.404	0.940	20	10		ECCDHO
CNS(=O)(=O)CC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1	ZINC000783998617	578748337	/nfs/dbraw/zinc/74/83/37/578748337.db2.gz	FHRWOLVPAWEYRK-UHFFFAOYSA-N	1	3	326.466	0.077	20	10		ECCDHO
CN1CCN(c2ccc(C[N@H+]3C[C@@H]4[C@H](C3)OCCN4C)cc2)CC1	ZINC000775716804	579270368	/nfs/dbraw/zinc/27/03/68/579270368.db2.gz	GYZDBCFULJLZIP-MOPGFXCFSA-N	1	3	330.476	0.953	20	10		ECCDHO
CN1CCN(c2ccc(C[N@@H+]3C[C@@H]4[C@H](C3)OCCN4C)cc2)CC1	ZINC000775716804	579270369	/nfs/dbraw/zinc/27/03/69/579270369.db2.gz	GYZDBCFULJLZIP-MOPGFXCFSA-N	1	3	330.476	0.953	20	10		ECCDHO
C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911338614	609858173	/nfs/dbraw/zinc/85/81/73/609858173.db2.gz	PLVFTWCCPILYDZ-BBRMVZONSA-N	1	3	349.479	0.196	20	10		ECCDHO
COc1ccc(N2CCN(C[C@H](O)CN3CC[C@@H](C[NH3+])C3)CC2)cc1	ZINC000923280894	611224317	/nfs/dbraw/zinc/22/43/17/611224317.db2.gz	JROJAHXJJPBXNM-WMZOPIPTSA-N	1	3	348.491	0.459	20	10		ECCDHO
COc1ccc(O)c(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1	ZINC000872254712	590108238	/nfs/dbraw/zinc/10/82/38/590108238.db2.gz	CBKGSSFSSRFNDH-BJJXKVORSA-N	1	3	333.388	0.768	20	10		ECCDHO
C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911578194	609899580	/nfs/dbraw/zinc/89/95/80/609899580.db2.gz	KDHAGTSQFQQQQV-CZUORRHYSA-N	1	3	349.479	0.277	20	10		ECCDHO
CN1CCN(c2ccc(C[N@@H+]3C[C@@H]4OCCN(C)[C@H]4C3)cc2)CC1	ZINC000775716805	579270337	/nfs/dbraw/zinc/27/03/37/579270337.db2.gz	GYZDBCFULJLZIP-OALUTQOASA-N	1	3	330.476	0.953	20	10		ECCDHO
CN1CCN(c2ccc(C[N@H+]3C[C@@H]4OCCN(C)[C@H]4C3)cc2)CC1	ZINC000775716805	579270338	/nfs/dbraw/zinc/27/03/38/579270338.db2.gz	GYZDBCFULJLZIP-OALUTQOASA-N	1	3	330.476	0.953	20	10		ECCDHO
CN1CCN(c2ccc(CNC[C@@H](O)C[NH+]3CCCC3)cc2)CC1	ZINC000905427411	586893389	/nfs/dbraw/zinc/89/33/89/586893389.db2.gz	NWNYPRVSMVUGEU-LJQANCHMSA-N	1	3	332.492	0.985	20	10		ECCDHO
O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@H]1C[C@]12CC[NH2+]C2	ZINC000377391742	438308564	/nfs/dbraw/zinc/30/85/64/438308564.db2.gz	NGWWUEYCHKXLCM-KDOFPFPSSA-N	1	3	332.423	0.851	20	10		ECCDHO
CN(C)c1ccc([C@H](N)CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)cc1	ZINC000852792691	589512025	/nfs/dbraw/zinc/51/20/25/589512025.db2.gz	ZQZNFJRFFNOZAL-XJKSGUPXSA-N	1	3	342.447	0.982	20	10		ECCDHO
CN1CCN(c2ccc(CN3CCC([NH2+]CCO)CC3)cc2)CC1	ZINC000873218058	590186920	/nfs/dbraw/zinc/18/69/20/590186920.db2.gz	XXFVNYWXLZZTTH-UHFFFAOYSA-N	1	3	332.492	0.985	20	10		ECCDHO
CN(C)c1ccc([C@@H](N)CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)cc1	ZINC000841847125	589002620	/nfs/dbraw/zinc/00/26/20/589002620.db2.gz	ZXEMXYHQAVEWRD-ZFWWWQNUSA-N	1	3	342.447	0.982	20	10		ECCDHO
CN1CCN(c2ccc(CNC[C@H](O)C[NH+]3CCCC3)cc2)CC1	ZINC000905427408	586893817	/nfs/dbraw/zinc/89/38/17/586893817.db2.gz	NWNYPRVSMVUGEU-IBGZPJMESA-N	1	3	332.492	0.985	20	10		ECCDHO
CN(C)c1ccc([C@H](CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)N(C)C)cc1	ZINC000911577351	609899466	/nfs/dbraw/zinc/89/94/66/609899466.db2.gz	CAVGHGUZEGLNAG-ZBFHGGJFSA-N	1	3	347.463	0.031	20	10		ECCDHO
CCN1CCN(CCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1	ZINC000844163320	589097038	/nfs/dbraw/zinc/09/70/38/589097038.db2.gz	YTVMGFBZYWZIKE-SFHVURJKSA-N	1	3	347.507	0.896	20	10		ECCDHO
CN(CCN1CC[NH2+]CC1)Cc1ccc(N2CCOCC2)c(F)c1	ZINC000843053314	589048133	/nfs/dbraw/zinc/04/81/33/589048133.db2.gz	VJULKICTLXMTLU-UHFFFAOYSA-N	1	3	336.455	0.999	20	10		ECCDHO
CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911578107	609899582	/nfs/dbraw/zinc/89/95/82/609899582.db2.gz	ICDQKULFWSFEHI-INIZCTEOSA-N	1	3	349.479	0.279	20	10		ECCDHO
C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911292626	609840523	/nfs/dbraw/zinc/84/05/23/609840523.db2.gz	QVIQOWKMGXLWFC-XJKSGUPXSA-N	1	3	349.479	0.183	20	10		ECCDHO
CN(C)c1ccc([C@H](CNC(=O)C(=O)N(C)CCC[NH3+])N(C)C)cc1	ZINC000911581006	609899943	/nfs/dbraw/zinc/89/99/43/609899943.db2.gz	XZVDNVGUNVFFPZ-INIZCTEOSA-N	1	3	349.479	0.279	20	10		ECCDHO
CN1CCN(c2ccc(CN3CCN([C@@H]4CC[NH2+]C4)CC3)cc2)CC1	ZINC000843124453	589051901	/nfs/dbraw/zinc/05/19/01/589051901.db2.gz	AZKIHGKMAQXKJO-HXUWFJFHSA-N	1	3	343.519	0.918	20	10		ECCDHO
C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1	ZINC000886294716	590827068	/nfs/dbraw/zinc/82/70/68/590827068.db2.gz	KKFZIQZUTARQQJ-PBHICJAKSA-N	1	3	337.489	0.961	20	10		ECCDHO
CN(C)c1ccc([C@H](N)CNS(=O)(=O)CC2CC[NH2+]CC2)cc1	ZINC000905341559	586888176	/nfs/dbraw/zinc/88/81/76/586888176.db2.gz	AAZXXYFFZHNZDM-MRXNPFEDSA-N	1	3	340.493	0.671	20	10		ECCDHO
C[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O	ZINC000771857544	579197059	/nfs/dbraw/zinc/19/70/59/579197059.db2.gz	JFZDIQPHVPLPML-AWEZNQCLSA-N	1	3	325.478	0.961	20	10		ECCDHO
CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2[NH2+]CC23CCOCC3)cc1	ZINC000852826310	589515835	/nfs/dbraw/zinc/51/58/35/589515835.db2.gz	SSPMYBUQVFEBFY-CVEARBPZSA-N	1	3	332.448	0.637	20	10		ECCDHO
C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911581009	609899948	/nfs/dbraw/zinc/89/99/48/609899948.db2.gz	YASZMEOXUGTKRC-CJNGLKHVSA-N	1	3	349.479	0.277	20	10		ECCDHO
COc1ccc(N2CCN(C[C@@H](O)CN3CC[C@@H](C[NH3+])C3)CC2)cc1	ZINC000923280890	611224017	/nfs/dbraw/zinc/22/40/17/611224017.db2.gz	JROJAHXJJPBXNM-FUHWJXTLSA-N	1	3	348.491	0.459	20	10		ECCDHO
C[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O	ZINC000771857546	579197049	/nfs/dbraw/zinc/19/70/49/579197049.db2.gz	JFZDIQPHVPLPML-CQSZACIVSA-N	1	3	325.478	0.961	20	10		ECCDHO
CN(C)c1ccc([C@H](N)CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)cc1	ZINC000841847122	589002649	/nfs/dbraw/zinc/00/26/49/589002649.db2.gz	ZXEMXYHQAVEWRD-DZGCQCFKSA-N	1	3	342.447	0.982	20	10		ECCDHO
CN(C)c1ccc([C@@H](N)CNS(=O)(=O)CC2CC[NH2+]CC2)cc1	ZINC000905341558	586888273	/nfs/dbraw/zinc/88/82/73/586888273.db2.gz	AAZXXYFFZHNZDM-INIZCTEOSA-N	1	3	340.493	0.671	20	10		ECCDHO
CN1CCN(c2ccc(CNC[C@H](O)C[N@H+](C)C3CC3)cc2)CC1	ZINC000905425877	586893541	/nfs/dbraw/zinc/89/35/41/586893541.db2.gz	CEKRUALDQXVEKX-IBGZPJMESA-N	1	3	332.492	0.983	20	10		ECCDHO
CN1CCN(c2ccc(CNC[C@H](O)C[N@@H+](C)C3CC3)cc2)CC1	ZINC000905425877	586893544	/nfs/dbraw/zinc/89/35/44/586893544.db2.gz	CEKRUALDQXVEKX-IBGZPJMESA-N	1	3	332.492	0.983	20	10		ECCDHO
CN(C)c1ccc([C@@H](N)CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1	ZINC000832274636	588477680	/nfs/dbraw/zinc/47/76/80/588477680.db2.gz	WIOIBJMQACZWGO-JKSUJKDBSA-N	1	3	347.463	0.127	20	10		ECCDHO
C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1	ZINC000883289554	590610878	/nfs/dbraw/zinc/61/08/78/590610878.db2.gz	SFXXONNOTGUDPZ-AWEZNQCLSA-N	1	3	325.478	0.961	20	10		ECCDHO
CN(C)c1ccc([C@@H](N)CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1	ZINC000832274633	588477621	/nfs/dbraw/zinc/47/76/21/588477621.db2.gz	WIOIBJMQACZWGO-HOTGVXAUSA-N	1	3	347.463	0.127	20	10		ECCDHO
CN(C)c1ccc([C@H](N)CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)cc1	ZINC000841847124	589002602	/nfs/dbraw/zinc/00/26/02/589002602.db2.gz	ZXEMXYHQAVEWRD-UKRRQHHQSA-N	1	3	342.447	0.982	20	10		ECCDHO
C[NH2+]CCCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911270214	609834890	/nfs/dbraw/zinc/83/48/90/609834890.db2.gz	JFONUPMATZPYNP-INIZCTEOSA-N	1	3	349.479	0.197	20	10		ECCDHO
CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2[nH]nc3c2CNCC3)cc1	ZINC000841846680	589002552	/nfs/dbraw/zinc/00/25/52/589002552.db2.gz	RZKNISVGZNRVAN-AWEZNQCLSA-N	1	3	328.420	0.551	20	10		ECCDHO
COCC1(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)CC[NH2+]CC1	ZINC000832272652	588477384	/nfs/dbraw/zinc/47/73/84/588477384.db2.gz	IDERRABSQBMURJ-INIZCTEOSA-N	1	3	334.464	0.885	20	10		ECCDHO
COc1ccc(N2CCN(C[C@@H](O)CN(C)C3CC([NH3+])C3)CC2)cc1	ZINC000923363316	611233838	/nfs/dbraw/zinc/23/38/38/611233838.db2.gz	RRYYMXAZEAATCU-VJFUWPCTSA-N	1	3	348.491	0.600	20	10		ECCDHO
O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@H]1C[C@@]12CC[NH2+]C2	ZINC000377391744	438309885	/nfs/dbraw/zinc/30/98/85/438309885.db2.gz	NGWWUEYCHKXLCM-RDTXWAMCSA-N	1	3	332.423	0.851	20	10		ECCDHO
[NH3+]CCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1	ZINC000841868263	589003579	/nfs/dbraw/zinc/00/35/79/589003579.db2.gz	CQBJBVHPQZFNCT-UHFFFAOYSA-N	1	3	331.464	0.977	20	10		ECCDHO
COc1cccc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O	ZINC000872255238	590108402	/nfs/dbraw/zinc/10/84/02/590108402.db2.gz	SATASOJTSZBFRK-GUTXKFCHSA-N	1	3	333.388	0.768	20	10		ECCDHO
C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911581008	609899935	/nfs/dbraw/zinc/89/99/35/609899935.db2.gz	YASZMEOXUGTKRC-BBRMVZONSA-N	1	3	349.479	0.277	20	10		ECCDHO
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc3c(cc1[O-])OCO3)C2	ZINC000903978966	586828686	/nfs/dbraw/zinc/82/86/86/586828686.db2.gz	PXDIUYOKRQOHQM-JKDFXYPNSA-N	1	3	334.372	0.833	20	10		ECCDHO
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cc3c(cc1[O-])OCO3)C2	ZINC000903978966	586828688	/nfs/dbraw/zinc/82/86/88/586828688.db2.gz	PXDIUYOKRQOHQM-JKDFXYPNSA-N	1	3	334.372	0.833	20	10		ECCDHO
COc1ccc(O)c(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1	ZINC000872254719	590108371	/nfs/dbraw/zinc/10/83/71/590108371.db2.gz	CBKGSSFSSRFNDH-XPKDYRNWSA-N	1	3	333.388	0.768	20	10		ECCDHO
C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911578192	609899353	/nfs/dbraw/zinc/89/93/53/609899353.db2.gz	KDHAGTSQFQQQQV-BBRMVZONSA-N	1	3	349.479	0.277	20	10		ECCDHO
C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911293232	609840548	/nfs/dbraw/zinc/84/05/48/609840548.db2.gz	CPPYHCKRVHPDHG-BBRMVZONSA-N	1	3	349.479	0.325	20	10		ECCDHO
C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911578195	609899375	/nfs/dbraw/zinc/89/93/75/609899375.db2.gz	KDHAGTSQFQQQQV-XJKSGUPXSA-N	1	3	349.479	0.277	20	10		ECCDHO
CC[NH2+]CCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911282233	609845731	/nfs/dbraw/zinc/84/57/31/609845731.db2.gz	OXZJNKYKASKXIR-INIZCTEOSA-N	1	3	349.479	0.197	20	10		ECCDHO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)N(C)C)cc1	ZINC000911577346	609899446	/nfs/dbraw/zinc/89/94/46/609899446.db2.gz	CAVGHGUZEGLNAG-GOEBONIOSA-N	1	3	347.463	0.031	20	10		ECCDHO
COc1ccc(N2CCN(C[C@@H](O)CN3CC[C@H](C[NH3+])C3)CC2)cc1	ZINC000923280892	611224007	/nfs/dbraw/zinc/22/40/07/611224007.db2.gz	JROJAHXJJPBXNM-SJLPKXTDSA-N	1	3	348.491	0.459	20	10		ECCDHO
CN(C)c1ccc([C@@H](N)CNC(=O)[C@H]2[NH2+]CC23CCOCC3)cc1	ZINC000852826313	589515881	/nfs/dbraw/zinc/51/58/81/589515881.db2.gz	SSPMYBUQVFEBFY-JKSUJKDBSA-N	1	3	332.448	0.637	20	10		ECCDHO
CN(C)c1ccc([C@H](CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)N(C)C)cc1	ZINC000911577347	609899340	/nfs/dbraw/zinc/89/93/40/609899340.db2.gz	CAVGHGUZEGLNAG-HOCLYGCPSA-N	1	3	347.463	0.031	20	10		ECCDHO
COc1ccc(N2CCN(C[C@@H](O)CN(C)CCC[NH3+])CC2)cc1	ZINC000923290757	611225498	/nfs/dbraw/zinc/22/54/98/611225498.db2.gz	KTTPHXPGBYMUJJ-KRWDZBQOSA-N	1	3	336.480	0.459	20	10		ECCDHO
CN(C)C[C@H]1NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1=O	ZINC000900186314	586529868	/nfs/dbraw/zinc/52/98/68/586529868.db2.gz	XHXRAIYOMIPQEC-CVEARBPZSA-N	1	3	347.463	0.837	20	10		ECCDHO
CN(C)c1ccc([C@@H](N)CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc1	ZINC000832274689	588477522	/nfs/dbraw/zinc/47/75/22/588477522.db2.gz	XIZFURHMGVTXGA-BTFYYFJDSA-N	1	3	344.459	0.683	20	10		ECCDHO
CN(C)c1ccc([C@H](CNC(=O)C(=O)NCC2([NH3+])CC2)N(C)C)cc1	ZINC000911506231	609880731	/nfs/dbraw/zinc/88/07/31/609880731.db2.gz	JXHNOAWWJSHABH-HNNXBMFYSA-N	1	3	347.463	0.079	20	10		ECCDHO
CN(C)c1ccc([C@H](N)CNC(=O)c2cn(CCC[NH3+])nn2)cc1	ZINC000832278498	588477559	/nfs/dbraw/zinc/47/75/59/588477559.db2.gz	DBTVLTZUCFUYQR-CQSZACIVSA-N	1	3	331.424	0.123	20	10		ECCDHO
C[NH+](C)C[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@H]1C[NH+](C)C	ZINC000872636075	590136064	/nfs/dbraw/zinc/13/60/64/590136064.db2.gz	HFXFUGUQDRGNCK-IIDMSEBBSA-N	1	3	349.475	0.989	20	10		ECCDHO
O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@@H]1C[C@@]12CC[NH2+]C2	ZINC000377391741	438308621	/nfs/dbraw/zinc/30/86/21/438308621.db2.gz	NGWWUEYCHKXLCM-KBXCAEBGSA-N	1	3	332.423	0.851	20	10		ECCDHO
CN(C)C[C@@H]1NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1=O	ZINC000900186315	586529903	/nfs/dbraw/zinc/52/99/03/586529903.db2.gz	XHXRAIYOMIPQEC-HOTGVXAUSA-N	1	3	347.463	0.837	20	10		ECCDHO
CN(C)c1ccc([C@@H](N)CNC(=O)c2cn(CCCC[NH3+])nn2)cc1	ZINC000832280206	588477643	/nfs/dbraw/zinc/47/76/43/588477643.db2.gz	NUSQLTOZHVCQSA-HNNXBMFYSA-N	1	3	345.451	0.513	20	10		ECCDHO
CN(C)c1ccc([C@@H](N)CNC(=O)c2cn(CCC[NH3+])nn2)cc1	ZINC000832278497	588477678	/nfs/dbraw/zinc/47/76/78/588477678.db2.gz	DBTVLTZUCFUYQR-AWEZNQCLSA-N	1	3	331.424	0.123	20	10		ECCDHO
CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2[nH]nc3c2CNCC3)cc1	ZINC000841846682	589002749	/nfs/dbraw/zinc/00/27/49/589002749.db2.gz	RZKNISVGZNRVAN-CQSZACIVSA-N	1	3	328.420	0.551	20	10		ECCDHO
C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911292625	609840490	/nfs/dbraw/zinc/84/04/90/609840490.db2.gz	QVIQOWKMGXLWFC-CZUORRHYSA-N	1	3	349.479	0.183	20	10		ECCDHO
CN(C)c1ccc([C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])N(C)C)cc1	ZINC000911294308	609840910	/nfs/dbraw/zinc/84/09/10/609840910.db2.gz	FCGJUSRQSCKJCB-HNNXBMFYSA-N	1	3	349.479	0.325	20	10		ECCDHO
CCN(CC[NH3+])C(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911578108	609899451	/nfs/dbraw/zinc/89/94/51/609899451.db2.gz	ICDQKULFWSFEHI-MRXNPFEDSA-N	1	3	349.479	0.279	20	10		ECCDHO
C[NH+](C)C[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H]1C[NH+](C)C	ZINC000872636076	590136288	/nfs/dbraw/zinc/13/62/88/590136288.db2.gz	HFXFUGUQDRGNCK-RKVPGOIHSA-N	1	3	349.475	0.989	20	10		ECCDHO
CN(C)C[C@H]1NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1=O	ZINC000900186316	586530054	/nfs/dbraw/zinc/53/00/54/586530054.db2.gz	XHXRAIYOMIPQEC-HZPDHXFCSA-N	1	3	347.463	0.837	20	10		ECCDHO
CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2[NH2+]CC23CCOCC3)cc1	ZINC000852826311	589515598	/nfs/dbraw/zinc/51/55/98/589515598.db2.gz	SSPMYBUQVFEBFY-HOTGVXAUSA-N	1	3	332.448	0.637	20	10		ECCDHO
C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911292623	609840461	/nfs/dbraw/zinc/84/04/61/609840461.db2.gz	QVIQOWKMGXLWFC-BBRMVZONSA-N	1	3	349.479	0.183	20	10		ECCDHO
CN(C)c1ccc([C@@H](N)CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)cc1	ZINC000852792686	589512099	/nfs/dbraw/zinc/51/20/99/589512099.db2.gz	ZQZNFJRFFNOZAL-BBRMVZONSA-N	1	3	342.447	0.982	20	10		ECCDHO
C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911338615	609858171	/nfs/dbraw/zinc/85/81/71/609858171.db2.gz	PLVFTWCCPILYDZ-CJNGLKHVSA-N	1	3	349.479	0.196	20	10		ECCDHO
CN(C)S(=O)(=O)CC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1	ZINC000810181871	587191399	/nfs/dbraw/zinc/19/13/99/587191399.db2.gz	VWWHSMYMVCTALE-UHFFFAOYSA-N	1	3	340.493	0.419	20	10		ECCDHO
C[NH2+]CCCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911270215	609834705	/nfs/dbraw/zinc/83/47/05/609834705.db2.gz	JFONUPMATZPYNP-MRXNPFEDSA-N	1	3	349.479	0.197	20	10		ECCDHO
CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(N3CCNCC3)c(F)c2)C1	ZINC000365159146	437867737	/nfs/dbraw/zinc/86/77/37/437867737.db2.gz	XLEZWSGBZTUWIS-DZGCQCFKSA-N	1	3	336.411	0.228	20	10		ECCDHO
CC[NH2+]CCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911282234	609845725	/nfs/dbraw/zinc/84/57/25/609845725.db2.gz	OXZJNKYKASKXIR-MRXNPFEDSA-N	1	3	349.479	0.197	20	10		ECCDHO
CN1CCN(c2ccc(C[NH2+]CC3(O)CCN(C)CC3)cc2)CC1	ZINC000771843656	579196711	/nfs/dbraw/zinc/19/67/11/579196711.db2.gz	UMLNTXPXISBGRK-UHFFFAOYSA-N	1	3	332.492	0.985	20	10		ECCDHO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)N(C)C)cc1	ZINC000911577345	609899119	/nfs/dbraw/zinc/89/91/19/609899119.db2.gz	CAVGHGUZEGLNAG-GDBMZVCRSA-N	1	3	347.463	0.031	20	10		ECCDHO
COCC1(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)CC[NH2+]CC1	ZINC000832272653	588477286	/nfs/dbraw/zinc/47/72/86/588477286.db2.gz	IDERRABSQBMURJ-MRXNPFEDSA-N	1	3	334.464	0.885	20	10		ECCDHO
CN(C)c1ccc([C@H](N)CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)cc1	ZINC000852792690	589512139	/nfs/dbraw/zinc/51/21/39/589512139.db2.gz	ZQZNFJRFFNOZAL-CZUORRHYSA-N	1	3	342.447	0.982	20	10		ECCDHO
O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	ZINC000872255277	590108446	/nfs/dbraw/zinc/10/84/46/590108446.db2.gz	UHIVBNRQXQIXAO-HSMVNMDESA-N	1	3	347.371	0.488	20	10		ECCDHO
C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911581011	609899906	/nfs/dbraw/zinc/89/99/06/609899906.db2.gz	YASZMEOXUGTKRC-XJKSGUPXSA-N	1	3	349.479	0.277	20	10		ECCDHO
CN(C)c1ccc([C@H](N)CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1	ZINC000832274635	588477574	/nfs/dbraw/zinc/47/75/74/588477574.db2.gz	WIOIBJMQACZWGO-HZPDHXFCSA-N	1	3	347.463	0.127	20	10		ECCDHO
C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911338617	609858179	/nfs/dbraw/zinc/85/81/79/609858179.db2.gz	PLVFTWCCPILYDZ-XJKSGUPXSA-N	1	3	349.479	0.196	20	10		ECCDHO
O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@@H]1C[C@]12CC[NH2+]C2	ZINC000377391743	254757743	/nfs/dbraw/zinc/75/77/43/254757743.db2.gz	NGWWUEYCHKXLCM-KSSFIOAISA-N	1	3	332.423	0.851	20	10		ECCDHO
C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911581010	609899893	/nfs/dbraw/zinc/89/98/93/609899893.db2.gz	YASZMEOXUGTKRC-CZUORRHYSA-N	1	3	349.479	0.277	20	10		ECCDHO
CN(C)C[C@@H]1NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1=O	ZINC000900186317	586529954	/nfs/dbraw/zinc/52/99/54/586529954.db2.gz	XHXRAIYOMIPQEC-JKSUJKDBSA-N	1	3	347.463	0.837	20	10		ECCDHO
CN(C)c1ccc([C@@H](N)CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)cc1	ZINC000841847123	589002503	/nfs/dbraw/zinc/00/25/03/589002503.db2.gz	ZXEMXYHQAVEWRD-HIFRSBDPSA-N	1	3	342.447	0.982	20	10		ECCDHO
CN1CCN(c2ccc(CNC[C@@H](O)C[N@H+](C)C3CC3)cc2)CC1	ZINC000905425878	586893735	/nfs/dbraw/zinc/89/37/35/586893735.db2.gz	CEKRUALDQXVEKX-LJQANCHMSA-N	1	3	332.492	0.983	20	10		ECCDHO
CN1CCN(c2ccc(CNC[C@@H](O)C[N@@H+](C)C3CC3)cc2)CC1	ZINC000905425878	586893739	/nfs/dbraw/zinc/89/37/39/586893739.db2.gz	CEKRUALDQXVEKX-LJQANCHMSA-N	1	3	332.492	0.983	20	10		ECCDHO
CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2[NH2+]CC23CCOCC3)cc1	ZINC000852826312	589515720	/nfs/dbraw/zinc/51/57/20/589515720.db2.gz	SSPMYBUQVFEBFY-HZPDHXFCSA-N	1	3	332.448	0.637	20	10		ECCDHO
[NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cc2c(cc1O)OCO2	ZINC000843122829	589051813	/nfs/dbraw/zinc/05/18/13/589051813.db2.gz	VNQHJYBXHGSQQA-ZDUSSCGKSA-N	1	3	335.404	0.940	20	10		ECCDHO
CN1CCN(c2ccc(CN3CCN([C@H]4CC[NH2+]C4)CC3)cc2)CC1	ZINC000843124451	589051934	/nfs/dbraw/zinc/05/19/34/589051934.db2.gz	AZKIHGKMAQXKJO-FQEVSTJZSA-N	1	3	343.519	0.918	20	10		ECCDHO
CN(C)c1ccc([C@H](N)CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc1	ZINC000832274691	588477555	/nfs/dbraw/zinc/47/75/55/588477555.db2.gz	XIZFURHMGVTXGA-UCMJJCQDSA-N	1	3	344.459	0.683	20	10		ECCDHO
C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1	ZINC000883289555	590611030	/nfs/dbraw/zinc/61/10/30/590611030.db2.gz	SFXXONNOTGUDPZ-CQSZACIVSA-N	1	3	325.478	0.961	20	10		ECCDHO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCC2([NH3+])CC2)N(C)C)cc1	ZINC000911506233	609880785	/nfs/dbraw/zinc/88/07/85/609880785.db2.gz	JXHNOAWWJSHABH-OAHLLOKOSA-N	1	3	347.463	0.079	20	10		ECCDHO
CN(C)c1ccc([C@H](N)CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1	ZINC000832274632	588477641	/nfs/dbraw/zinc/47/76/41/588477641.db2.gz	WIOIBJMQACZWGO-CVEARBPZSA-N	1	3	347.463	0.127	20	10		ECCDHO
C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911292624	609840525	/nfs/dbraw/zinc/84/05/25/609840525.db2.gz	QVIQOWKMGXLWFC-CJNGLKHVSA-N	1	3	349.479	0.183	20	10		ECCDHO
C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911578193	609899593	/nfs/dbraw/zinc/89/95/93/609899593.db2.gz	KDHAGTSQFQQQQV-CJNGLKHVSA-N	1	3	349.479	0.277	20	10		ECCDHO
COc1ccc(N2CCN(C[C@H](O)CN(C)CCC[NH3+])CC2)cc1	ZINC000923290759	611225398	/nfs/dbraw/zinc/22/53/98/611225398.db2.gz	KTTPHXPGBYMUJJ-QGZVFWFLSA-N	1	3	336.480	0.459	20	10		ECCDHO
COc1cccc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O	ZINC000872255239	590108410	/nfs/dbraw/zinc/10/84/10/590108410.db2.gz	SATASOJTSZBFRK-NFAWXSAZSA-N	1	3	333.388	0.768	20	10		ECCDHO
C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911293236	609840425	/nfs/dbraw/zinc/84/04/25/609840425.db2.gz	CPPYHCKRVHPDHG-XJKSGUPXSA-N	1	3	349.479	0.325	20	10		ECCDHO
C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911293234	609840488	/nfs/dbraw/zinc/84/04/88/609840488.db2.gz	CPPYHCKRVHPDHG-CJNGLKHVSA-N	1	3	349.479	0.325	20	10		ECCDHO
C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911293235	609840550	/nfs/dbraw/zinc/84/05/50/609840550.db2.gz	CPPYHCKRVHPDHG-CZUORRHYSA-N	1	3	349.479	0.325	20	10		ECCDHO
COc1ccc(N2CCN(C[C@H](O)CN(C)C3CC([NH3+])C3)CC2)cc1	ZINC000923363317	611233737	/nfs/dbraw/zinc/23/37/37/611233737.db2.gz	RRYYMXAZEAATCU-VMWRSERWSA-N	1	3	348.491	0.600	20	10		ECCDHO
C[NH2+]CCN(C)C(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911577379	609899552	/nfs/dbraw/zinc/89/95/52/609899552.db2.gz	CMXYVIQOEHBFAW-MRXNPFEDSA-N	1	3	349.479	0.149	20	10		ECCDHO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])N(C)C)cc1	ZINC000911581007	609899954	/nfs/dbraw/zinc/89/99/54/609899954.db2.gz	XZVDNVGUNVFFPZ-MRXNPFEDSA-N	1	3	349.479	0.279	20	10		ECCDHO
CN(C)c1ccc([C@H](N)CNC(=O)c2cn(CCCC[NH3+])nn2)cc1	ZINC000832280208	588477693	/nfs/dbraw/zinc/47/76/93/588477693.db2.gz	NUSQLTOZHVCQSA-OAHLLOKOSA-N	1	3	345.451	0.513	20	10		ECCDHO
O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	ZINC000872255278	590108670	/nfs/dbraw/zinc/10/86/70/590108670.db2.gz	UHIVBNRQXQIXAO-OZVIIMIRSA-N	1	3	347.371	0.488	20	10		ECCDHO
C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911338616	609858199	/nfs/dbraw/zinc/85/81/99/609858199.db2.gz	PLVFTWCCPILYDZ-CZUORRHYSA-N	1	3	349.479	0.196	20	10		ECCDHO
C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911577378	609899303	/nfs/dbraw/zinc/89/93/03/609899303.db2.gz	CMXYVIQOEHBFAW-INIZCTEOSA-N	1	3	349.479	0.149	20	10		ECCDHO
CCN1CCN(CCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1	ZINC000844163319	589097081	/nfs/dbraw/zinc/09/70/81/589097081.db2.gz	YTVMGFBZYWZIKE-GOSISDBHSA-N	1	3	347.507	0.896	20	10		ECCDHO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])N(C)C)cc1	ZINC000911294309	609840903	/nfs/dbraw/zinc/84/09/03/609840903.db2.gz	FCGJUSRQSCKJCB-OAHLLOKOSA-N	1	3	349.479	0.325	20	10		ECCDHO
COc1ccc(N2CCN(C[C@H](O)CN3CC[C@H](C[NH3+])C3)CC2)cc1	ZINC000923280887	611224042	/nfs/dbraw/zinc/22/40/42/611224042.db2.gz	JROJAHXJJPBXNM-AEFFLSMTSA-N	1	3	348.491	0.459	20	10		ECCDHO