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+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccc(N2CCOC2=O)c1	ZINC000157074795	834726528	/nfs/dbraw/zinc/72/65/28/834726528.db2.gz	KGCMTKZDYPTRNU-FGSXEWAUSA-N	2	2	394.519	3.599	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cccc(N2CCOC2=O)c1	ZINC000157074795	834726530	/nfs/dbraw/zinc/72/65/30/834726530.db2.gz	KGCMTKZDYPTRNU-FGSXEWAUSA-N	2	2	394.519	3.599	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(N2CCOC2=O)cc1	ZINC000157155056	834775374	/nfs/dbraw/zinc/77/53/74/834775374.db2.gz	BYINSKVARANDAX-FGSXEWAUSA-N	2	2	394.519	3.599	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(N2CCOC2=O)cc1	ZINC000157155056	834775382	/nfs/dbraw/zinc/77/53/82/834775382.db2.gz	BYINSKVARANDAX-FGSXEWAUSA-N	2	2	394.519	3.599	10	0		GHAELP
C[N@H+](Cc1ccccc1)[C@@H](CNC1CC[NH+](Cc2cccnc2)CC1)C1CC1	ZINC000186879728	883726351	/nfs/dbraw/zinc/72/63/51/883726351.db2.gz	NFSSFCZJMLVMHN-DEOSSOPVSA-N	2	2	378.564	3.546	10	0		GHAELP
C[N@@H+](Cc1ccccc1)[C@@H](CNC1CC[NH+](Cc2cccnc2)CC1)C1CC1	ZINC000186879728	883726361	/nfs/dbraw/zinc/72/63/61/883726361.db2.gz	NFSSFCZJMLVMHN-DEOSSOPVSA-N	2	2	378.564	3.546	10	0		GHAELP
COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccn3)C[C@@H]1C)CCCO2	ZINC000247110052	891370090	/nfs/dbraw/zinc/37/00/90/891370090.db2.gz	ABEUCOFWDSIXEB-MTNREXPMSA-N	2	2	381.520	3.804	10	0		GHAELP
COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccn3)C[C@@H]1C)CCCO2	ZINC000247110052	891370103	/nfs/dbraw/zinc/37/01/03/891370103.db2.gz	ABEUCOFWDSIXEB-MTNREXPMSA-N	2	2	381.520	3.804	10	0		GHAELP
COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1NC(C)=O	ZINC000247943624	891401939	/nfs/dbraw/zinc/40/19/39/891401939.db2.gz	DGVJTRIZVFSVJU-XGHQBKJUSA-N	2	2	396.535	3.610	10	0		GHAELP
COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1NC(C)=O	ZINC000247943624	891401954	/nfs/dbraw/zinc/40/19/54/891401954.db2.gz	DGVJTRIZVFSVJU-XGHQBKJUSA-N	2	2	396.535	3.610	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(N2CCCC2=O)cc1	ZINC000156904649	834639695	/nfs/dbraw/zinc/63/96/95/834639695.db2.gz	CINMDYYLKCKSOE-MSYCTHLASA-N	2	2	392.547	3.770	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(N2CCCC2=O)cc1	ZINC000156904649	834639702	/nfs/dbraw/zinc/63/97/02/834639702.db2.gz	CINMDYYLKCKSOE-MSYCTHLASA-N	2	2	392.547	3.770	10	0		GHAELP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1	ZINC000106217110	840780073	/nfs/dbraw/zinc/78/00/73/840780073.db2.gz	DFHSNSGEOXQCIT-PIYZVIGCSA-N	2	2	384.568	3.556	10	0		GHAELP
CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1	ZINC000106217110	840780085	/nfs/dbraw/zinc/78/00/85/840780085.db2.gz	DFHSNSGEOXQCIT-PIYZVIGCSA-N	2	2	384.568	3.556	10	0		GHAELP
CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c2ccc(F)cc2C1	ZINC000185364217	883441394	/nfs/dbraw/zinc/44/13/94/883441394.db2.gz	DLYDOGBZAJRRBK-QFIPXVFZSA-N	2	2	378.451	3.595	10	0		GHAELP
C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(Cc2[nH+]ccn2C)CC1	ZINC000106164979	886026877	/nfs/dbraw/zinc/02/68/77/886026877.db2.gz	NZBNMSJPRGRFSL-AWEZNQCLSA-N	2	2	394.441	3.721	10	0		GHAELP
[NH3+][C@@H]1CCCO[C@H]1C1CCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1	ZINC000333716054	902287762	/nfs/dbraw/zinc/28/77/62/902287762.db2.gz	TVOZJVUTRIGAQV-MSOLQXFVSA-N	2	2	379.426	3.976	10	0		GHAELP
Cc1sc2nc(CC[NH3+])nc(NCc3ccccc3-n3cc[nH+]c3)c2c1C	ZINC000065381593	205232277	/nfs/dbraw/zinc/23/22/77/205232277.db2.gz	YLQIMXFCFPUIBE-UHFFFAOYSA-N	2	2	378.505	3.607	10	0		GHAELP
C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccn1Cc1cccs1	ZINC000119303208	875109596	/nfs/dbraw/zinc/10/95/96/875109596.db2.gz	BCUFTBYZGOAMNJ-GCJKJVERSA-N	2	2	380.561	3.993	10	0		GHAELP
C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccn1Cc1cccs1	ZINC000119303208	875109599	/nfs/dbraw/zinc/10/95/99/875109599.db2.gz	BCUFTBYZGOAMNJ-GCJKJVERSA-N	2	2	380.561	3.993	10	0		GHAELP
C[NH2+]CCC[NH2+]Cc1cc(Br)cc(OC)c1OCc1ccccc1	ZINC000010435497	204334853	/nfs/dbraw/zinc/33/48/53/204334853.db2.gz	IYPXTPZZFAEWQD-UHFFFAOYSA-N	2	2	393.325	3.736	10	0		GHAELP
C[N@@H+]1C[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)C(C)(C)C1	ZINC000675076167	570910146	/nfs/dbraw/zinc/91/01/46/570910146.db2.gz	UUCVLKZAXCKJMC-ZDUSSCGKSA-N	2	2	376.136	3.641	10	0		GHAELP
C[N@H+]1C[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)C(C)(C)C1	ZINC000675076167	570910148	/nfs/dbraw/zinc/91/01/48/570910148.db2.gz	UUCVLKZAXCKJMC-ZDUSSCGKSA-N	2	2	376.136	3.641	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(N2CCOC2=O)c1	ZINC000157074947	834726242	/nfs/dbraw/zinc/72/62/42/834726242.db2.gz	KGCMTKZDYPTRNU-SPEDKVCISA-N	2	2	394.519	3.599	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(N2CCOC2=O)c1	ZINC000157074947	834726252	/nfs/dbraw/zinc/72/62/52/834726252.db2.gz	KGCMTKZDYPTRNU-SPEDKVCISA-N	2	2	394.519	3.599	10	0		GHAELP
C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1cccc(-n2cc[nH+]c2)c1	ZINC000173453858	865646394	/nfs/dbraw/zinc/64/63/94/865646394.db2.gz	HALZRJWEILHKLC-GHTZIAJQSA-N	2	2	381.524	3.593	10	0		GHAELP
Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCS(=O)(=O)c3ccccc32)cc1	ZINC000186243955	883624806	/nfs/dbraw/zinc/62/48/06/883624806.db2.gz	XVWKXGVPFLXDDZ-YWZLYKJASA-N	2	2	381.501	3.750	10	0		GHAELP
Cc1ccccc1-c1ncc(CN2CCc3[nH+]c[nH]c3C23CC[NH+](C)CC3)s1	ZINC000065398349	205234088	/nfs/dbraw/zinc/23/40/88/205234088.db2.gz	QYUNQMMAFOIWBE-UHFFFAOYSA-N	2	2	393.560	3.821	10	0		GHAELP
c1[nH+]c(C2CCCCC2)n2c1C[C@H](c1nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no1)CC2	ZINC000329747799	862287067	/nfs/dbraw/zinc/28/70/67/862287067.db2.gz	ZPUICDTWBZKXTK-AOIWGVFYSA-N	2	2	397.523	3.580	10	0		GHAELP
c1[nH+]c(C2CCCCC2)n2c1C[C@H](c1nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no1)CC2	ZINC000329747799	862287089	/nfs/dbraw/zinc/28/70/89/862287089.db2.gz	ZPUICDTWBZKXTK-AOIWGVFYSA-N	2	2	397.523	3.580	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(N2CCCC2=O)cc1	ZINC000246868380	891317166	/nfs/dbraw/zinc/31/71/66/891317166.db2.gz	CINMDYYLKCKSOE-SELNLUPBSA-N	2	2	392.547	3.770	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(N2CCCC2=O)cc1	ZINC000246868380	891317176	/nfs/dbraw/zinc/31/71/76/891317176.db2.gz	CINMDYYLKCKSOE-SELNLUPBSA-N	2	2	392.547	3.770	10	0		GHAELP
[NH3+]CCc1nc2ccccc2c(N2CCC(c3[nH]c4ccc(F)cc4[nH+]3)CC2)n1	ZINC000067689162	136164811	/nfs/dbraw/zinc/16/48/11/136164811.db2.gz	DVRADTTZNGDTSB-UHFFFAOYSA-N	2	2	390.466	3.530	10	0		GHAELP
C[N@@H+]1C[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)C(C)(C)C1	ZINC000675076166	570910123	/nfs/dbraw/zinc/91/01/23/570910123.db2.gz	UUCVLKZAXCKJMC-CYBMUJFWSA-N	2	2	376.136	3.641	10	0		GHAELP
C[N@H+]1C[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)C(C)(C)C1	ZINC000675076166	570910126	/nfs/dbraw/zinc/91/01/26/570910126.db2.gz	UUCVLKZAXCKJMC-CYBMUJFWSA-N	2	2	376.136	3.641	10	0		GHAELP
C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000328752916	840253989	/nfs/dbraw/zinc/25/39/89/840253989.db2.gz	NMRJNELWQURJSC-OAGGEKHMSA-N	2	2	390.553	3.680	10	0		GHAELP
Cn1cc[nH+]c1CC1CC[NH+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1	ZINC000121254642	876690760	/nfs/dbraw/zinc/69/07/60/876690760.db2.gz	DOZVVZNQGGYSRN-UHFFFAOYSA-N	2	2	397.548	3.865	10	0		GHAELP
[NH3+][C@H]1CCCO[C@H]1C1CCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1	ZINC000333716066	902287793	/nfs/dbraw/zinc/28/77/93/902287793.db2.gz	TVOZJVUTRIGAQV-ROUUACIJSA-N	2	2	379.426	3.976	10	0		GHAELP
CC[NH2+][C@H]1C[C@@H](Cc2cc(C[NH+]3CCN(c4ccccc4)CC3)on2)C1(C)C	ZINC000067890171	291131591	/nfs/dbraw/zinc/13/15/91/291131591.db2.gz	SBCHPMCYMOLTJM-GCJKJVERSA-N	2	2	382.552	3.564	10	0		GHAELP
CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)C1	ZINC000106214939	840779660	/nfs/dbraw/zinc/77/96/60/840779660.db2.gz	QEVIACKGTKFZJX-CQSZACIVSA-N	2	2	396.564	3.748	10	0		GHAELP
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)C1	ZINC000106214939	840779671	/nfs/dbraw/zinc/77/96/71/840779671.db2.gz	QEVIACKGTKFZJX-CQSZACIVSA-N	2	2	396.564	3.748	10	0		GHAELP
Cc1c([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cnn1-c1ccccn1	ZINC000153641268	848826734	/nfs/dbraw/zinc/82/67/34/848826734.db2.gz	SYJVDNGJGNCMPQ-HNNXBMFYSA-N	2	2	376.439	3.751	10	0		GHAELP
C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccn1Cc1cccs1	ZINC000246883194	891319734	/nfs/dbraw/zinc/31/97/34/891319734.db2.gz	BCUFTBYZGOAMNJ-XMSQKQJNSA-N	2	2	380.561	3.993	10	0		GHAELP
C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccn1Cc1cccs1	ZINC000246883194	891319750	/nfs/dbraw/zinc/31/97/50/891319750.db2.gz	BCUFTBYZGOAMNJ-XMSQKQJNSA-N	2	2	380.561	3.993	10	0		GHAELP
O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC([C@H]2CCC[NH2+]2)CC1	ZINC000333347244	902026181	/nfs/dbraw/zinc/02/61/81/902026181.db2.gz	QVLQNWMJDZGLAY-OAQYLSRUSA-N	2	2	393.535	3.882	10	0		GHAELP
C[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1cccc(-n2cc[nH+]c2)c1	ZINC000173456954	865652589	/nfs/dbraw/zinc/65/25/89/865652589.db2.gz	MUMSSQOAFSDJLX-GOSISDBHSA-N	2	2	381.524	3.593	10	0		GHAELP
C[C@@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1cccc(-n2cc[nH+]c2)c1	ZINC000173456954	865652594	/nfs/dbraw/zinc/65/25/94/865652594.db2.gz	MUMSSQOAFSDJLX-GOSISDBHSA-N	2	2	381.524	3.593	10	0		GHAELP
Cc1ccc(N2CCC([NH2+][C@@H](C)c3ncc(Br)s3)CC2)[nH+]c1	ZINC000179233560	882982864	/nfs/dbraw/zinc/98/28/64/882982864.db2.gz	BTZXLLRIZILCLI-LBPRGKRZSA-N	2	2	381.343	3.929	10	0		GHAELP
Cc1c(-c2cc(C[NH+](C)[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)on2)cnn1C	ZINC000248633135	891448634	/nfs/dbraw/zinc/44/86/34/891448634.db2.gz	SZDPVOXNMHNSEK-PXNSSMCTSA-N	2	2	393.535	3.868	10	0		GHAELP
Cc1c(-c2cc(C[NH+](C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)on2)cnn1C	ZINC000248633135	891448642	/nfs/dbraw/zinc/44/86/42/891448642.db2.gz	SZDPVOXNMHNSEK-PXNSSMCTSA-N	2	2	393.535	3.868	10	0		GHAELP
Cc1c(-c2cc(C[N@@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)on2)cnn1C	ZINC000248633135	891448650	/nfs/dbraw/zinc/44/86/50/891448650.db2.gz	SZDPVOXNMHNSEK-PXNSSMCTSA-N	2	2	393.535	3.868	10	0		GHAELP
Cc1c(-c2cc(C[N@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)on2)cnn1C	ZINC000248633135	891448654	/nfs/dbraw/zinc/44/86/54/891448654.db2.gz	SZDPVOXNMHNSEK-PXNSSMCTSA-N	2	2	393.535	3.868	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc2c(c1)OCCCO2	ZINC000155334493	849505260	/nfs/dbraw/zinc/50/52/60/849505260.db2.gz	OBTALCWTGZUIAG-WFXMLNOXSA-N	2	2	381.520	3.804	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc2c(c1)OCCCO2	ZINC000155334493	849505263	/nfs/dbraw/zinc/50/52/63/849505263.db2.gz	OBTALCWTGZUIAG-WFXMLNOXSA-N	2	2	381.520	3.804	10	0		GHAELP
c1[nH+]c(C2CCCCC2)n2c1C[C@H](c1nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no1)CC2	ZINC000329747800	862286608	/nfs/dbraw/zinc/28/66/08/862286608.db2.gz	ZPUICDTWBZKXTK-LMMKCTJWSA-N	2	2	397.523	3.580	10	0		GHAELP
c1[nH+]c(C2CCCCC2)n2c1C[C@H](c1nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no1)CC2	ZINC000329747800	862286628	/nfs/dbraw/zinc/28/66/28/862286628.db2.gz	ZPUICDTWBZKXTK-LMMKCTJWSA-N	2	2	397.523	3.580	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(OCC[NH+](C)C)c1	ZINC000126167056	886938581	/nfs/dbraw/zinc/93/85/81/886938581.db2.gz	XXBXYGYXFFAGOI-SKPFHBQLSA-N	3	2	396.579	3.583	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(OCC[NH+](C)C)c1	ZINC000126167056	886938596	/nfs/dbraw/zinc/93/85/96/886938596.db2.gz	XXBXYGYXFFAGOI-SKPFHBQLSA-N	3	2	396.579	3.583	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc2c(c1)OCCCO2	ZINC000155334378	849505628	/nfs/dbraw/zinc/50/56/28/849505628.db2.gz	OBTALCWTGZUIAG-LQWHRVPQSA-N	2	2	381.520	3.804	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc2c(c1)OCCCO2	ZINC000155334378	849505639	/nfs/dbraw/zinc/50/56/39/849505639.db2.gz	OBTALCWTGZUIAG-LQWHRVPQSA-N	2	2	381.520	3.804	10	0		GHAELP
Cn1cc[nH+]c1CC1CC[NH+](CC(=O)Nc2ccccc2SC(F)F)CC1	ZINC000106164758	886027222	/nfs/dbraw/zinc/02/72/22/886027222.db2.gz	FVEWOZGQZKMHQS-UHFFFAOYSA-N	2	2	394.491	3.628	10	0		GHAELP
C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000253551580	891878449	/nfs/dbraw/zinc/87/84/49/891878449.db2.gz	ZACMMUOXUNLVPT-KZNAEPCWSA-N	2	2	398.551	3.608	10	0		GHAELP
Cc1c([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cnn1-c1ccccn1	ZINC000153641171	848826836	/nfs/dbraw/zinc/82/68/36/848826836.db2.gz	SYJVDNGJGNCMPQ-OAHLLOKOSA-N	2	2	376.439	3.751	10	0		GHAELP
CCc1[nH+]ccn1[C@@H]1CCCN(c2cc[nH+]c(N[C@@H]3CCCO[C@@H]3C(C)C)n2)C1	ZINC000330126021	862595615	/nfs/dbraw/zinc/59/56/15/862595615.db2.gz	IPAWIQBCHWPIQZ-DBXWQHBBSA-N	2	2	398.555	3.693	10	0		GHAELP
C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)COC(C)(C)O2	ZINC000186384556	883652807	/nfs/dbraw/zinc/65/28/07/883652807.db2.gz	MYPKZODXDDIWNV-UTKZUKDTSA-N	2	2	381.520	3.727	10	0		GHAELP
C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)COC(C)(C)O2	ZINC000186384556	883652814	/nfs/dbraw/zinc/65/28/14/883652814.db2.gz	MYPKZODXDDIWNV-UTKZUKDTSA-N	2	2	381.520	3.727	10	0		GHAELP
CCS(=O)(=O)CCCCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1	ZINC000249066978	891492576	/nfs/dbraw/zinc/49/25/76/891492576.db2.gz	KGGZDYVYAHXUOG-FPOVZHCZSA-N	2	2	380.598	3.576	10	0		GHAELP
CCS(=O)(=O)CCCCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1	ZINC000249066978	891492587	/nfs/dbraw/zinc/49/25/87/891492587.db2.gz	KGGZDYVYAHXUOG-FPOVZHCZSA-N	2	2	380.598	3.576	10	0		GHAELP
CCS(=O)(=O)CCCCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000249066978	891492590	/nfs/dbraw/zinc/49/25/90/891492590.db2.gz	KGGZDYVYAHXUOG-FPOVZHCZSA-N	2	2	380.598	3.576	10	0		GHAELP
CCS(=O)(=O)CCCCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000249066978	891492597	/nfs/dbraw/zinc/49/25/97/891492597.db2.gz	KGGZDYVYAHXUOG-FPOVZHCZSA-N	2	2	380.598	3.576	10	0		GHAELP
CCOc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(Br)c1OCC	ZINC000010314065	204333787	/nfs/dbraw/zinc/33/37/87/204333787.db2.gz	PFBQMYPCFLOHTQ-UHFFFAOYSA-N	2	2	382.302	3.623	10	0		GHAELP
CCC[C@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2cc(C)ccc2C)CC1	ZINC000036340292	205010843	/nfs/dbraw/zinc/01/08/43/205010843.db2.gz	PVSKTGDMLZMGSC-QFIPXVFZSA-N	2	2	396.579	3.584	10	0		GHAELP
COc1c(C)c[nH+]c(CN2CCC([N@H+](C)CCCCn3cc[nH+]c3C)CC2)c1C	ZINC000091709236	882153390	/nfs/dbraw/zinc/15/33/90/882153390.db2.gz	XFNRQNXWIWJSHI-UHFFFAOYSA-N	3	2	399.583	3.589	10	0		GHAELP
COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)CCCCn3cc[nH+]c3C)CC2)c1C	ZINC000091709236	882153402	/nfs/dbraw/zinc/15/34/02/882153402.db2.gz	XFNRQNXWIWJSHI-UHFFFAOYSA-N	3	2	399.583	3.589	10	0		GHAELP
CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1	ZINC000106164286	886027275	/nfs/dbraw/zinc/02/72/75/886027275.db2.gz	JYFHVCWGEFIOSW-KRWDZBQOSA-N	2	2	382.552	3.827	10	0		GHAELP
CCCC[C@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc(C)cc2)CC1	ZINC000036340516	205011755	/nfs/dbraw/zinc/01/17/55/205011755.db2.gz	IZKIRTPJWBCUQO-QFIPXVFZSA-N	2	2	396.579	3.666	10	0		GHAELP
C[C@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1cccc(-n2cc[nH+]c2)c1	ZINC000173456943	865652516	/nfs/dbraw/zinc/65/25/16/865652516.db2.gz	MUMSSQOAFSDJLX-SFHVURJKSA-N	2	2	381.524	3.593	10	0		GHAELP
C[C@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1cccc(-n2cc[nH+]c2)c1	ZINC000173456943	865652527	/nfs/dbraw/zinc/65/25/27/865652527.db2.gz	MUMSSQOAFSDJLX-SFHVURJKSA-N	2	2	381.524	3.593	10	0		GHAELP
COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)s1	ZINC000181421283	883178819	/nfs/dbraw/zinc/17/88/19/883178819.db2.gz	AJSAYEHUVWSFHG-BXWFABGCSA-N	2	2	388.581	3.597	10	0		GHAELP
COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)s1	ZINC000181421283	883178823	/nfs/dbraw/zinc/17/88/23/883178823.db2.gz	AJSAYEHUVWSFHG-BXWFABGCSA-N	2	2	388.581	3.597	10	0		GHAELP
Cc1sc2nc([C@H](C)[NH+]3CCC(Cc4[nH+]ccn4C)CC3)nc(N)c2c1C	ZINC000106164486	886026429	/nfs/dbraw/zinc/02/64/29/886026429.db2.gz	AGHLRNPTGFILHC-ZDUSSCGKSA-N	2	2	384.553	3.640	10	0		GHAELP
C[NH+]1CCC(N(Cc2ccco2)C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CC1	ZINC000124164801	886712625	/nfs/dbraw/zinc/71/26/25/886712625.db2.gz	URDQWTZCXUOVEY-RMKNXTFCSA-N	2	2	390.487	3.602	10	0		GHAELP
C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc2c(c1)COC(C)(C)O2	ZINC000248725088	891461384	/nfs/dbraw/zinc/46/13/84/891461384.db2.gz	MYPKZODXDDIWNV-LAUBAEHRSA-N	2	2	381.520	3.727	10	0		GHAELP
C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc2c(c1)COC(C)(C)O2	ZINC000248725088	891461393	/nfs/dbraw/zinc/46/13/93/891461393.db2.gz	MYPKZODXDDIWNV-LAUBAEHRSA-N	2	2	381.520	3.727	10	0		GHAELP
CCCC[C@@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc(C)cc2)CC1	ZINC000036340517	205011727	/nfs/dbraw/zinc/01/17/27/205011727.db2.gz	IZKIRTPJWBCUQO-JOCHJYFZSA-N	2	2	396.579	3.666	10	0		GHAELP
Cc1cc(C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(C)n1CC(F)(F)F	ZINC000103482412	864034483	/nfs/dbraw/zinc/03/44/83/864034483.db2.gz	ITNTTZDKSDBZRZ-UHFFFAOYSA-N	2	2	385.474	3.658	10	0		GHAELP
COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccn3)C[C@H]1C)CCCO2	ZINC000126127478	886934469	/nfs/dbraw/zinc/93/44/69/886934469.db2.gz	ABEUCOFWDSIXEB-VOQZNFBZSA-N	2	2	381.520	3.804	10	0		GHAELP
COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccn3)C[C@H]1C)CCCO2	ZINC000126127478	886934481	/nfs/dbraw/zinc/93/44/81/886934481.db2.gz	ABEUCOFWDSIXEB-VOQZNFBZSA-N	2	2	381.520	3.804	10	0		GHAELP
C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C2)CC1	ZINC000136066593	888274041	/nfs/dbraw/zinc/27/40/41/888274041.db2.gz	YFXRALUIZFKSGJ-LJQANCHMSA-N	2	2	388.943	3.597	10	0		GHAELP
C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C2)CC1	ZINC000136066593	888274051	/nfs/dbraw/zinc/27/40/51/888274051.db2.gz	YFXRALUIZFKSGJ-LJQANCHMSA-N	2	2	388.943	3.597	10	0		GHAELP
C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3csc(-c4ccccc4F)n3)C2)CC1	ZINC000174898857	839631627	/nfs/dbraw/zinc/63/16/27/839631627.db2.gz	UHYDMMMFCQAHMT-SFHVURJKSA-N	2	2	388.556	3.551	10	0		GHAELP
C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3csc(-c4ccccc4F)n3)C2)CC1	ZINC000174898857	839631635	/nfs/dbraw/zinc/63/16/35/839631635.db2.gz	UHYDMMMFCQAHMT-SFHVURJKSA-N	2	2	388.556	3.551	10	0		GHAELP
COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)s1	ZINC000181421243	883178930	/nfs/dbraw/zinc/17/89/30/883178930.db2.gz	AJSAYEHUVWSFHG-TXPKVOOTSA-N	2	2	388.581	3.597	10	0		GHAELP
COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)s1	ZINC000181421243	883178934	/nfs/dbraw/zinc/17/89/34/883178934.db2.gz	AJSAYEHUVWSFHG-TXPKVOOTSA-N	2	2	388.581	3.597	10	0		GHAELP
CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c2ccc(F)cc2C1	ZINC000185364240	883441209	/nfs/dbraw/zinc/44/12/09/883441209.db2.gz	DLYDOGBZAJRRBK-JOCHJYFZSA-N	2	2	378.451	3.595	10	0		GHAELP
COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)s1	ZINC000245578276	888989002	/nfs/dbraw/zinc/98/90/02/888989002.db2.gz	AJSAYEHUVWSFHG-GJYPPUQNSA-N	2	2	388.581	3.597	10	0		GHAELP
COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)s1	ZINC000245578276	888989020	/nfs/dbraw/zinc/98/90/20/888989020.db2.gz	AJSAYEHUVWSFHG-GJYPPUQNSA-N	2	2	388.581	3.597	10	0		GHAELP
[NH3+][C@H]1CCCO[C@@H]1C1CCN(c2cc[nH+]c3c(Br)cccc23)CC1	ZINC000333645860	902242974	/nfs/dbraw/zinc/24/29/74/902242974.db2.gz	IYQUMQYWYNBPHS-QFBILLFUSA-N	2	2	390.325	3.720	10	0		GHAELP
C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1cccc(-n2cc[nH+]c2)c1	ZINC000173453082	865644829	/nfs/dbraw/zinc/64/48/29/865644829.db2.gz	SGDOXUPIQBHRGW-RXVVDRJESA-N	2	2	381.524	3.593	10	0		GHAELP
Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCS(=O)(=O)c3ccccc32)cc1	ZINC000186243920	883624975	/nfs/dbraw/zinc/62/49/75/883624975.db2.gz	XVWKXGVPFLXDDZ-MGPUTAFESA-N	2	2	381.501	3.750	10	0		GHAELP
Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCCC[C@H](N4CC[NH+](C)CC4)C3)o2)cc1C	ZINC000182892347	883247317	/nfs/dbraw/zinc/24/73/17/883247317.db2.gz	SPOUMNXHVFFZHX-CTNGQTDRSA-N	2	2	397.567	3.516	10	0		GHAELP
Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CCCC[C@H](N4CC[NH+](C)CC4)C3)o2)cc1C	ZINC000182892347	883247332	/nfs/dbraw/zinc/24/73/32/883247332.db2.gz	SPOUMNXHVFFZHX-CTNGQTDRSA-N	2	2	397.567	3.516	10	0		GHAELP
COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1NC(C)=O	ZINC000247943618	891401721	/nfs/dbraw/zinc/40/17/21/891401721.db2.gz	DGVJTRIZVFSVJU-LLGFUMIMSA-N	2	2	396.535	3.610	10	0		GHAELP
COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1NC(C)=O	ZINC000247943618	891401732	/nfs/dbraw/zinc/40/17/32/891401732.db2.gz	DGVJTRIZVFSVJU-LLGFUMIMSA-N	2	2	396.535	3.610	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cnn(Cc2ccccc2)c1	ZINC000248171407	891416041	/nfs/dbraw/zinc/41/60/41/891416041.db2.gz	UVJPTPHNGXRUBF-JXALWOEJSA-N	2	2	389.547	3.888	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cnn(Cc2ccccc2)c1	ZINC000248171407	891416049	/nfs/dbraw/zinc/41/60/49/891416049.db2.gz	UVJPTPHNGXRUBF-JXALWOEJSA-N	2	2	389.547	3.888	10	0		GHAELP
[NH3+][C@H]1CCCO[C@H]1C1CCN(c2cc[nH+]c3c(Br)cccc23)CC1	ZINC000333645859	902243499	/nfs/dbraw/zinc/24/34/99/902243499.db2.gz	IYQUMQYWYNBPHS-LPHOPBHVSA-N	2	2	390.325	3.720	10	0		GHAELP
COc1cc(C[N@H+](C)[C@H](C)c2nccs2)ccc1OCC[NH+]1CCCC1	ZINC000055413801	570694918	/nfs/dbraw/zinc/69/49/18/570694918.db2.gz	HRGKRTWDDFYVCM-MRXNPFEDSA-N	2	2	375.538	3.819	10	0		GHAELP
COc1cc(C[N@@H+](C)[C@H](C)c2nccs2)ccc1OCC[NH+]1CCCC1	ZINC000055413801	570694919	/nfs/dbraw/zinc/69/49/19/570694919.db2.gz	HRGKRTWDDFYVCM-MRXNPFEDSA-N	2	2	375.538	3.819	10	0		GHAELP
[NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1	ZINC000333716063	902287903	/nfs/dbraw/zinc/28/79/03/902287903.db2.gz	TVOZJVUTRIGAQV-QZTJIDSGSA-N	2	2	379.426	3.976	10	0		GHAELP
CCn1ncc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(OC)cc3)C2)c1C	ZINC000014977086	207037531	/nfs/dbraw/zinc/03/75/31/207037531.db2.gz	KMSIJGKXRDVEPD-NRFANRHFSA-N	2	2	384.568	3.607	10	0		GHAELP
CCn1ncc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(OC)cc3)C2)c1C	ZINC000014977086	207037536	/nfs/dbraw/zinc/03/75/36/207037536.db2.gz	KMSIJGKXRDVEPD-NRFANRHFSA-N	2	2	384.568	3.607	10	0		GHAELP
CCn1ncc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(OC)cc3)C2)c1C	ZINC000014977086	207037540	/nfs/dbraw/zinc/03/75/40/207037540.db2.gz	KMSIJGKXRDVEPD-NRFANRHFSA-N	2	2	384.568	3.607	10	0		GHAELP
CCn1ncc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(OC)cc3)C2)c1C	ZINC000014977086	207037544	/nfs/dbraw/zinc/03/75/44/207037544.db2.gz	KMSIJGKXRDVEPD-NRFANRHFSA-N	2	2	384.568	3.607	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccc(OCC[NH+](C)C)c1	ZINC000126166840	886939298	/nfs/dbraw/zinc/93/92/98/886939298.db2.gz	XXBXYGYXFFAGOI-NMMYMHLASA-N	3	2	396.579	3.583	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cccc(OCC[NH+](C)C)c1	ZINC000126166840	886939308	/nfs/dbraw/zinc/93/93/08/886939308.db2.gz	XXBXYGYXFFAGOI-NMMYMHLASA-N	3	2	396.579	3.583	10	0		GHAELP
[NH3+][C@H]1CCCO[C@@H]1C1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1	ZINC000333497350	902136957	/nfs/dbraw/zinc/13/69/57/902136957.db2.gz	FAXUWJFFRNOHQS-ZWKOTPCHSA-N	2	2	390.325	3.720	10	0		GHAELP
[NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1	ZINC000333497348	902137189	/nfs/dbraw/zinc/13/71/89/902137189.db2.gz	FAXUWJFFRNOHQS-QZTJIDSGSA-N	2	2	390.325	3.720	10	0		GHAELP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1	ZINC000247543512	842870309	/nfs/dbraw/zinc/87/03/09/842870309.db2.gz	DFHSNSGEOXQCIT-CGVQKBNFSA-N	2	2	384.568	3.556	10	0		GHAELP
CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1	ZINC000247543512	842870320	/nfs/dbraw/zinc/87/03/20/842870320.db2.gz	DFHSNSGEOXQCIT-CGVQKBNFSA-N	2	2	384.568	3.556	10	0		GHAELP
C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C2)CC1	ZINC000174896868	882535678	/nfs/dbraw/zinc/53/56/78/882535678.db2.gz	BTFVSJKHMRMTDD-IBGZPJMESA-N	2	2	388.943	3.597	10	0		GHAELP
C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C2)CC1	ZINC000174896868	882535700	/nfs/dbraw/zinc/53/57/00/882535700.db2.gz	BTFVSJKHMRMTDD-IBGZPJMESA-N	2	2	388.943	3.597	10	0		GHAELP
CC(C)c1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1F	ZINC000186774202	883711475	/nfs/dbraw/zinc/71/14/75/883711475.db2.gz	KMGBKTYICNXMSX-UHFFFAOYSA-N	2	2	376.520	3.629	10	0		GHAELP
CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1	ZINC000106164281	886027098	/nfs/dbraw/zinc/02/70/98/886027098.db2.gz	JYFHVCWGEFIOSW-QGZVFWFLSA-N	2	2	382.552	3.827	10	0		GHAELP
C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](c3cccs3)C(C)(C)C)CC2)CC1	ZINC000051777871	887783314	/nfs/dbraw/zinc/78/33/14/887783314.db2.gz	ISMPQIYONWAVCQ-LJQANCHMSA-N	2	2	392.613	3.693	10	0		GHAELP
Cc1c(-c2cc(C[NH+](C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)on2)cnn1C	ZINC000248633134	891448232	/nfs/dbraw/zinc/44/82/32/891448232.db2.gz	SZDPVOXNMHNSEK-FXAWDEMLSA-N	2	2	393.535	3.868	10	0		GHAELP
Cc1c(-c2cc(C[NH+](C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)on2)cnn1C	ZINC000248633134	891448238	/nfs/dbraw/zinc/44/82/38/891448238.db2.gz	SZDPVOXNMHNSEK-FXAWDEMLSA-N	2	2	393.535	3.868	10	0		GHAELP
Cc1c(-c2cc(C[N@@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)on2)cnn1C	ZINC000248633134	891448246	/nfs/dbraw/zinc/44/82/46/891448246.db2.gz	SZDPVOXNMHNSEK-FXAWDEMLSA-N	2	2	393.535	3.868	10	0		GHAELP
Cc1c(-c2cc(C[N@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)on2)cnn1C	ZINC000248633134	891448253	/nfs/dbraw/zinc/44/82/53/891448253.db2.gz	SZDPVOXNMHNSEK-FXAWDEMLSA-N	2	2	393.535	3.868	10	0		GHAELP
CCn1ncc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3OC)C2)c1C	ZINC000011843108	570587784	/nfs/dbraw/zinc/58/77/84/570587784.db2.gz	ZMMDWGOBHPYYDS-FQEVSTJZSA-N	2	2	384.568	3.607	10	0		GHAELP
CCn1ncc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3OC)C2)c1C	ZINC000011843108	570587786	/nfs/dbraw/zinc/58/77/86/570587786.db2.gz	ZMMDWGOBHPYYDS-FQEVSTJZSA-N	2	2	384.568	3.607	10	0		GHAELP
CCn1ncc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccccc3OC)C2)c1C	ZINC000011843108	570587787	/nfs/dbraw/zinc/58/77/87/570587787.db2.gz	ZMMDWGOBHPYYDS-FQEVSTJZSA-N	2	2	384.568	3.607	10	0		GHAELP
CCn1ncc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccccc3OC)C2)c1C	ZINC000011843108	570587789	/nfs/dbraw/zinc/58/77/89/570587789.db2.gz	ZMMDWGOBHPYYDS-FQEVSTJZSA-N	2	2	384.568	3.607	10	0		GHAELP
C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000328752917	840254579	/nfs/dbraw/zinc/25/45/79/840254579.db2.gz	NMRJNELWQURJSC-OWCLPIDISA-N	2	2	390.553	3.680	10	0		GHAELP
C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000328752917	840254589	/nfs/dbraw/zinc/25/45/89/840254589.db2.gz	NMRJNELWQURJSC-OWCLPIDISA-N	2	2	390.553	3.680	10	0		GHAELP
COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1OCc1c(C)noc1C	ZINC000093604560	882568878	/nfs/dbraw/zinc/56/88/78/882568878.db2.gz	KZCDKVNKABLQTL-HXUWFJFHSA-N	2	2	399.535	3.797	10	0		GHAELP
COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1OCc1c(C)noc1C	ZINC000093604560	882568891	/nfs/dbraw/zinc/56/88/91/882568891.db2.gz	KZCDKVNKABLQTL-HXUWFJFHSA-N	2	2	399.535	3.797	10	0		GHAELP
[NH3+][C@@H]1CCCO[C@H]1C1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1	ZINC000333497347	902136678	/nfs/dbraw/zinc/13/66/78/902136678.db2.gz	FAXUWJFFRNOHQS-MSOLQXFVSA-N	2	2	390.325	3.720	10	0		GHAELP
COc1cc(C[N@H+](C)[C@@H](C)c2nccs2)ccc1OCC[NH+]1CCCC1	ZINC000055413800	570695029	/nfs/dbraw/zinc/69/50/29/570695029.db2.gz	HRGKRTWDDFYVCM-INIZCTEOSA-N	2	2	375.538	3.819	10	0		GHAELP
COc1cc(C[N@@H+](C)[C@@H](C)c2nccs2)ccc1OCC[NH+]1CCCC1	ZINC000055413800	570695033	/nfs/dbraw/zinc/69/50/33/570695033.db2.gz	HRGKRTWDDFYVCM-INIZCTEOSA-N	2	2	375.538	3.819	10	0		GHAELP
C[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1cccc(-n2cc[nH+]c2)c1	ZINC000173453869	865646578	/nfs/dbraw/zinc/64/65/78/865646578.db2.gz	HALZRJWEILHKLC-WIYYLYMNSA-N	2	2	381.524	3.593	10	0		GHAELP
C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(OCC[NH+](C)C)cc1	ZINC000186054842	883607528	/nfs/dbraw/zinc/60/75/28/883607528.db2.gz	RFOSJJWZXRWRRQ-GOSISDBHSA-N	2	2	376.504	3.935	10	0		GHAELP
C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)COC(C)(C)O2	ZINC000186384575	883652046	/nfs/dbraw/zinc/65/20/46/883652046.db2.gz	MYPKZODXDDIWNV-UWJYYQICSA-N	2	2	381.520	3.727	10	0		GHAELP
C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)COC(C)(C)O2	ZINC000186384575	883652062	/nfs/dbraw/zinc/65/20/62/883652062.db2.gz	MYPKZODXDDIWNV-UWJYYQICSA-N	2	2	381.520	3.727	10	0		GHAELP
Cc1cc(C(=O)C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c(C)n1CC(F)(F)F	ZINC000106164843	886027323	/nfs/dbraw/zinc/02/73/23/886027323.db2.gz	MWBUZCWWOGPVJI-UHFFFAOYSA-N	2	2	396.457	3.538	10	0		GHAELP
COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1NC(C)=O	ZINC000126272157	886950271	/nfs/dbraw/zinc/95/02/71/886950271.db2.gz	DGVJTRIZVFSVJU-FIKGOQFSSA-N	2	2	396.535	3.610	10	0		GHAELP
COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1NC(C)=O	ZINC000126272157	886950284	/nfs/dbraw/zinc/95/02/84/886950284.db2.gz	DGVJTRIZVFSVJU-FIKGOQFSSA-N	2	2	396.535	3.610	10	0		GHAELP
Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cnn1-c1ccccn1	ZINC000248198570	891415313	/nfs/dbraw/zinc/41/53/13/891415313.db2.gz	XWLPMXGSWKNFQV-FGSXEWAUSA-N	2	2	390.535	3.532	10	0		GHAELP
Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cnn1-c1ccccn1	ZINC000248198570	891415329	/nfs/dbraw/zinc/41/53/29/891415329.db2.gz	XWLPMXGSWKNFQV-FGSXEWAUSA-N	2	2	390.535	3.532	10	0		GHAELP
Cc1cccc(N2CC[NH+](CCC[NH+]3CCN(c4cccc(C)c4)CC3)CC2)c1	ZINC000001664977	206388240	/nfs/dbraw/zinc/38/82/40/206388240.db2.gz	JUBRGGNAUCZGKZ-UHFFFAOYSA-N	2	2	392.591	3.638	10	0		GHAELP
COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1OC	ZINC000247054146	891340526	/nfs/dbraw/zinc/34/05/26/891340526.db2.gz	NLUDFXQGMNUGET-LVCYWYKZSA-N	2	2	383.536	3.968	10	0		GHAELP
COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1OC	ZINC000247054146	891340545	/nfs/dbraw/zinc/34/05/45/891340545.db2.gz	NLUDFXQGMNUGET-LVCYWYKZSA-N	2	2	383.536	3.968	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cnn(Cc2ccccc2)c1	ZINC000248171411	891415542	/nfs/dbraw/zinc/41/55/42/891415542.db2.gz	UVJPTPHNGXRUBF-MZLICYQSSA-N	2	2	389.547	3.888	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cnn(Cc2ccccc2)c1	ZINC000248171411	891415555	/nfs/dbraw/zinc/41/55/55/891415555.db2.gz	UVJPTPHNGXRUBF-MZLICYQSSA-N	2	2	389.547	3.888	10	0		GHAELP
COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc(OC)c1OC	ZINC000157476495	834935106	/nfs/dbraw/zinc/93/51/06/834935106.db2.gz	SRLDSUPUIXHTNJ-ZWOKBUDYSA-N	2	2	399.535	3.669	10	0		GHAELP
COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc(OC)c1OC	ZINC000157476495	834935118	/nfs/dbraw/zinc/93/51/18/834935118.db2.gz	SRLDSUPUIXHTNJ-ZWOKBUDYSA-N	2	2	399.535	3.669	10	0		GHAELP
C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3csc(-c4ccccc4F)n3)C2)CC1	ZINC000174898841	882535835	/nfs/dbraw/zinc/53/58/35/882535835.db2.gz	UHYDMMMFCQAHMT-GOSISDBHSA-N	2	2	388.556	3.551	10	0		GHAELP
C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3csc(-c4ccccc4F)n3)C2)CC1	ZINC000174898841	882535842	/nfs/dbraw/zinc/53/58/42/882535842.db2.gz	UHYDMMMFCQAHMT-GOSISDBHSA-N	2	2	388.556	3.551	10	0		GHAELP
COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OCc1c(C)noc1C	ZINC000093604561	882569177	/nfs/dbraw/zinc/56/91/77/882569177.db2.gz	KZCDKVNKABLQTL-FQEVSTJZSA-N	2	2	399.535	3.797	10	0		GHAELP
COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OCc1c(C)noc1C	ZINC000093604561	882569191	/nfs/dbraw/zinc/56/91/91/882569191.db2.gz	KZCDKVNKABLQTL-FQEVSTJZSA-N	2	2	399.535	3.797	10	0		GHAELP
[NH3+][C@H]1CCCO[C@H]1C1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1	ZINC000333497349	902137028	/nfs/dbraw/zinc/13/70/28/902137028.db2.gz	FAXUWJFFRNOHQS-ROUUACIJSA-N	2	2	390.325	3.720	10	0		GHAELP
C[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000178159087	882891402	/nfs/dbraw/zinc/89/14/02/882891402.db2.gz	GKNSJOCESNHLHB-HNNXBMFYSA-N	2	2	382.545	3.534	10	0		GHAELP
Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cnn1-c1ccccn1	ZINC000126142738	886937081	/nfs/dbraw/zinc/93/70/81/886937081.db2.gz	XWLPMXGSWKNFQV-NPPFBWRTSA-N	2	2	390.535	3.532	10	0		GHAELP
Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cnn1-c1ccccn1	ZINC000126142738	886937088	/nfs/dbraw/zinc/93/70/88/886937088.db2.gz	XWLPMXGSWKNFQV-NPPFBWRTSA-N	2	2	390.535	3.532	10	0		GHAELP
[NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2cc[nH+]c3c(Br)cccc23)CC1	ZINC000333645861	902243446	/nfs/dbraw/zinc/24/34/46/902243446.db2.gz	IYQUMQYWYNBPHS-VQIMIIECSA-N	2	2	390.325	3.720	10	0		GHAELP
Cc1ccc(N2CCC(NC(=O)c3oc4ccccc4c3C[NH+](C)C)CC2)[nH+]c1	ZINC000157778375	835088549	/nfs/dbraw/zinc/08/85/49/835088549.db2.gz	UILVNAGFCLXTJO-UHFFFAOYSA-N	2	2	392.503	3.597	10	0		GHAELP
C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3csc(-c4ccc(F)cc4)n3)C2)CC1	ZINC000182899522	883247676	/nfs/dbraw/zinc/24/76/76/883247676.db2.gz	ARRUEQJXXPTCGT-FQEVSTJZSA-N	2	2	388.556	3.551	10	0		GHAELP
C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)C2)CC1	ZINC000182899522	883247696	/nfs/dbraw/zinc/24/76/96/883247696.db2.gz	ARRUEQJXXPTCGT-FQEVSTJZSA-N	2	2	388.556	3.551	10	0		GHAELP
Cn1cc[nH+]c1CC1CC[NH+](CC(=O)Nc2ccc(SC(F)F)cc2)CC1	ZINC000106166656	886027717	/nfs/dbraw/zinc/02/77/17/886027717.db2.gz	SQHRUNCFLNIXDX-UHFFFAOYSA-N	2	2	394.491	3.628	10	0		GHAELP
C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(Cc2[nH+]ccn2C)CC1	ZINC000106164982	886027772	/nfs/dbraw/zinc/02/77/72/886027772.db2.gz	NZBNMSJPRGRFSL-CQSZACIVSA-N	2	2	394.441	3.721	10	0		GHAELP
Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCCC[C@@H](N4CC[NH+](C)CC4)C3)o2)cc1C	ZINC000245530839	888850636	/nfs/dbraw/zinc/85/06/36/888850636.db2.gz	SPOUMNXHVFFZHX-PZJWPPBQSA-N	2	2	397.567	3.516	10	0		GHAELP
Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCCC[C@@H](N4CC[NH+](C)CC4)C3)o2)cc1C	ZINC000245530839	888850654	/nfs/dbraw/zinc/85/06/54/888850654.db2.gz	SPOUMNXHVFFZHX-PZJWPPBQSA-N	2	2	397.567	3.516	10	0		GHAELP
Cc1[nH+]c2c(Cl)cccc2c(N2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1C	ZINC000333600787	902216025	/nfs/dbraw/zinc/21/60/25/902216025.db2.gz	WKKIMHDXNOIXCS-UHFFFAOYSA-N	2	2	396.926	3.584	10	0		GHAELP
Cc1sc2nc([C@@H](C)[NH+]3CCC(Cc4[nH+]ccn4C)CC3)nc(N)c2c1C	ZINC000106164484	886027605	/nfs/dbraw/zinc/02/76/05/886027605.db2.gz	AGHLRNPTGFILHC-CYBMUJFWSA-N	2	2	384.553	3.640	10	0		GHAELP
COCc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1OC	ZINC000126262868	886950405	/nfs/dbraw/zinc/95/04/05/886950405.db2.gz	DXEOZDCEIPPDAK-FGSXEWAUSA-N	2	2	383.536	3.798	10	0		GHAELP
COCc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccc1OC	ZINC000126262868	886950414	/nfs/dbraw/zinc/95/04/14/886950414.db2.gz	DXEOZDCEIPPDAK-FGSXEWAUSA-N	2	2	383.536	3.798	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cnn(Cc2ccccc2)c1	ZINC000126279407	886950862	/nfs/dbraw/zinc/95/08/62/886950862.db2.gz	UVJPTPHNGXRUBF-NMMYMHLASA-N	2	2	389.547	3.888	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cnn(Cc2ccccc2)c1	ZINC000126279407	886950876	/nfs/dbraw/zinc/95/08/76/886950876.db2.gz	UVJPTPHNGXRUBF-NMMYMHLASA-N	2	2	389.547	3.888	10	0		GHAELP
O[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[C@H]1[NH+]1CCCCCC1	ZINC000020209725	207185167	/nfs/dbraw/zinc/18/51/67/207185167.db2.gz	SUCDZQMOQJMABQ-WOJBJXKFSA-N	2	2	388.943	3.541	10	0		GHAELP
O[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[C@H]1[NH+]1CCCCCC1	ZINC000020209725	207185170	/nfs/dbraw/zinc/18/51/70/207185170.db2.gz	SUCDZQMOQJMABQ-WOJBJXKFSA-N	2	2	388.943	3.541	10	0		GHAELP
C[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000178159101	882890676	/nfs/dbraw/zinc/89/06/76/882890676.db2.gz	GKNSJOCESNHLHB-OAHLLOKOSA-N	2	2	382.545	3.534	10	0		GHAELP
COCc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1OC	ZINC000126263056	886951043	/nfs/dbraw/zinc/95/10/43/886951043.db2.gz	DXEOZDCEIPPDAK-SPEDKVCISA-N	2	2	383.536	3.798	10	0		GHAELP
COCc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1OC	ZINC000126263056	886951059	/nfs/dbraw/zinc/95/10/59/886951059.db2.gz	DXEOZDCEIPPDAK-SPEDKVCISA-N	2	2	383.536	3.798	10	0		GHAELP
C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C2)CC1	ZINC000136066630	888275023	/nfs/dbraw/zinc/27/50/23/888275023.db2.gz	YFXRALUIZFKSGJ-IBGZPJMESA-N	2	2	388.943	3.597	10	0		GHAELP
C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C2)CC1	ZINC000136066630	888275038	/nfs/dbraw/zinc/27/50/38/888275038.db2.gz	YFXRALUIZFKSGJ-IBGZPJMESA-N	2	2	388.943	3.597	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1	ZINC000248128243	891410346	/nfs/dbraw/zinc/41/03/46/891410346.db2.gz	OEBODEYGMKDJGP-MZLICYQSSA-N	3	2	396.579	3.583	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1	ZINC000248128243	891410351	/nfs/dbraw/zinc/41/03/51/891410351.db2.gz	OEBODEYGMKDJGP-MZLICYQSSA-N	3	2	396.579	3.583	10	0		GHAELP
CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@@H](O)c2ccccc2Cl)[C@@H]1c1cnn(C)c1	ZINC000328625337	209148264	/nfs/dbraw/zinc/14/82/64/209148264.db2.gz	CZWUUAJWHPFALC-ZLGUVYLKSA-N	2	2	390.959	3.512	10	0		GHAELP
CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@@H](O)c2ccccc2Cl)[C@@H]1c1cnn(C)c1	ZINC000328625337	209148255	/nfs/dbraw/zinc/14/82/55/209148255.db2.gz	CZWUUAJWHPFALC-ZLGUVYLKSA-N	2	2	390.959	3.512	10	0		GHAELP
CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@@H](O)c2ccccc2Cl)[C@@H]1c1cnn(C)c1	ZINC000328625337	209148259	/nfs/dbraw/zinc/14/82/59/209148259.db2.gz	CZWUUAJWHPFALC-ZLGUVYLKSA-N	2	2	390.959	3.512	10	0		GHAELP
CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@@H](O)c2ccccc2Cl)[C@@H]1c1cnn(C)c1	ZINC000328625337	209148261	/nfs/dbraw/zinc/14/82/61/209148261.db2.gz	CZWUUAJWHPFALC-ZLGUVYLKSA-N	2	2	390.959	3.512	10	0		GHAELP
CC(C)C(=O)N(CC[NH+](C)C)Cc1[nH+]ccn1Cc1ccc(Cl)c(Cl)c1	ZINC000006724009	570552576	/nfs/dbraw/zinc/55/25/76/570552576.db2.gz	SUIHWMWAMMFVRD-UHFFFAOYSA-N	2	2	397.350	3.784	10	0		GHAELP
C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1cccc(-n2cc[nH+]c2)c1	ZINC000173453097	865645170	/nfs/dbraw/zinc/64/51/70/865645170.db2.gz	SGDOXUPIQBHRGW-NQIIRXRSSA-N	2	2	381.524	3.593	10	0		GHAELP
CC(C)n1ncc2cc(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)c(Cl)nc21	ZINC000121762300	877716064	/nfs/dbraw/zinc/71/60/64/877716064.db2.gz	SGTPQGFFOBOKNI-UHFFFAOYSA-N	2	2	386.931	3.854	10	0		GHAELP
COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1	ZINC000126162789	886939083	/nfs/dbraw/zinc/93/90/83/886939083.db2.gz	KEORKOMDPQBHSE-YDHSSHFGSA-N	2	2	383.536	3.668	10	0		GHAELP
COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1	ZINC000126162789	886939091	/nfs/dbraw/zinc/93/90/91/886939091.db2.gz	KEORKOMDPQBHSE-YDHSSHFGSA-N	2	2	383.536	3.668	10	0		GHAELP
C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1	ZINC000245856283	889870790	/nfs/dbraw/zinc/87/07/90/889870790.db2.gz	HKZOTDFREDPASC-LSTHTHJFSA-N	2	2	388.556	3.642	10	0		GHAELP
O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1	ZINC000333347242	902025494	/nfs/dbraw/zinc/02/54/94/902025494.db2.gz	QVLQNWMJDZGLAY-NRFANRHFSA-N	2	2	393.535	3.882	10	0		GHAELP
CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cccc3cnccc32)[C@@H]1c1cnn(C)c1	ZINC000328624833	209149169	/nfs/dbraw/zinc/14/91/69/209149169.db2.gz	CQKXUCIRNJGPJE-NZQKXSOJSA-N	2	2	377.536	3.873	10	0		GHAELP
CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cccc3cnccc32)[C@@H]1c1cnn(C)c1	ZINC000328624833	209149174	/nfs/dbraw/zinc/14/91/74/209149174.db2.gz	CQKXUCIRNJGPJE-NZQKXSOJSA-N	2	2	377.536	3.873	10	0		GHAELP
CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cccc3cnccc32)[C@@H]1c1cnn(C)c1	ZINC000328624833	209149179	/nfs/dbraw/zinc/14/91/79/209149179.db2.gz	CQKXUCIRNJGPJE-NZQKXSOJSA-N	2	2	377.536	3.873	10	0		GHAELP
CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cccc3cnccc32)[C@@H]1c1cnn(C)c1	ZINC000328624833	209149182	/nfs/dbraw/zinc/14/91/82/209149182.db2.gz	CQKXUCIRNJGPJE-NZQKXSOJSA-N	2	2	377.536	3.873	10	0		GHAELP
Clc1nc(NCCC[NH+]2CCCC2)nc2c1C[N@H+](Cc1ccccc1)CC2	ZINC000057345918	527005014	/nfs/dbraw/zinc/00/50/14/527005014.db2.gz	KWURLAAMTQFOIJ-UHFFFAOYSA-N	2	2	385.943	3.586	10	0		GHAELP
Clc1nc(NCCC[NH+]2CCCC2)nc2c1C[N@@H+](Cc1ccccc1)CC2	ZINC000057345918	527005023	/nfs/dbraw/zinc/00/50/23/527005023.db2.gz	KWURLAAMTQFOIJ-UHFFFAOYSA-N	2	2	385.943	3.586	10	0		GHAELP
Cc1cn2c(C[N@@H+](C)C3CC[NH+](CCc4ccccn4)CC3)c(C)nc2s1	ZINC000092645331	882410534	/nfs/dbraw/zinc/41/05/34/882410534.db2.gz	RAUDWZGVELAAOE-UHFFFAOYSA-N	2	2	383.565	3.547	10	0		GHAELP
Cc1cn2c(C[N@H+](C)C3CC[NH+](CCc4ccccn4)CC3)c(C)nc2s1	ZINC000092645331	882410543	/nfs/dbraw/zinc/41/05/43/882410543.db2.gz	RAUDWZGVELAAOE-UHFFFAOYSA-N	2	2	383.565	3.547	10	0		GHAELP
CC[N@H+](Cc1ccc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1)C(C)C	ZINC000186488940	883649433	/nfs/dbraw/zinc/64/94/33/883649433.db2.gz	XWKPFKKHFKJXGP-UHFFFAOYSA-N	2	2	380.536	3.664	10	0		GHAELP
CC[N@@H+](Cc1ccc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1)C(C)C	ZINC000186488940	883649436	/nfs/dbraw/zinc/64/94/36/883649436.db2.gz	XWKPFKKHFKJXGP-UHFFFAOYSA-N	2	2	380.536	3.664	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(N2CCCC2=O)cc1	ZINC000156904795	834639674	/nfs/dbraw/zinc/63/96/74/834639674.db2.gz	CINMDYYLKCKSOE-YDHSSHFGSA-N	2	2	392.547	3.770	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(N2CCCC2=O)cc1	ZINC000156904795	834639679	/nfs/dbraw/zinc/63/96/79/834639679.db2.gz	CINMDYYLKCKSOE-YDHSSHFGSA-N	2	2	392.547	3.770	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(N2CCOC2=O)cc1	ZINC000157155203	834775494	/nfs/dbraw/zinc/77/54/94/834775494.db2.gz	BYINSKVARANDAX-SPEDKVCISA-N	2	2	394.519	3.599	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(N2CCOC2=O)cc1	ZINC000157155203	834775501	/nfs/dbraw/zinc/77/55/01/834775501.db2.gz	BYINSKVARANDAX-SPEDKVCISA-N	2	2	394.519	3.599	10	0		GHAELP
c1[nH+]c(C2CCCCC2)n2c1C[C@H](c1nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no1)CC2	ZINC000329747801	862287997	/nfs/dbraw/zinc/28/79/97/862287997.db2.gz	ZPUICDTWBZKXTK-ZHALLVOQSA-N	2	2	397.523	3.580	10	0		GHAELP
c1[nH+]c(C2CCCCC2)n2c1C[C@H](c1nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)no1)CC2	ZINC000329747801	862288020	/nfs/dbraw/zinc/28/80/20/862288020.db2.gz	ZPUICDTWBZKXTK-ZHALLVOQSA-N	2	2	397.523	3.580	10	0		GHAELP
Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCCC[C@H](N4CC[NH+](C)CC4)C3)o2)cc1C	ZINC000182892365	883247053	/nfs/dbraw/zinc/24/70/53/883247053.db2.gz	SPOUMNXHVFFZHX-FPOVZHCZSA-N	2	2	397.567	3.516	10	0		GHAELP
Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCCC[C@H](N4CC[NH+](C)CC4)C3)o2)cc1C	ZINC000182892365	883247071	/nfs/dbraw/zinc/24/70/71/883247071.db2.gz	SPOUMNXHVFFZHX-FPOVZHCZSA-N	2	2	397.567	3.516	10	0		GHAELP
C[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(OCC[NH+](C)C)cc1	ZINC000186054828	883607900	/nfs/dbraw/zinc/60/79/00/883607900.db2.gz	RFOSJJWZXRWRRQ-SFHVURJKSA-N	2	2	376.504	3.935	10	0		GHAELP
C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](c3cccs3)C(C)(C)C)CC2)CC1	ZINC000051777872	887782974	/nfs/dbraw/zinc/78/29/74/887782974.db2.gz	ISMPQIYONWAVCQ-IBGZPJMESA-N	2	2	392.613	3.693	10	0		GHAELP
N=C1N(CC[NH+]2CCCCC2)c2ccccc2[N@@H+]1CC(=O)c1ccc(Cl)cc1	ZINC000032600301	209192605	/nfs/dbraw/zinc/19/26/05/209192605.db2.gz	SXBOEBXUAMELCF-UHFFFAOYSA-N	2	2	396.922	3.944	10	0		GHAELP
N=C1N(CC[NH+]2CCCCC2)c2ccccc2[N@H+]1CC(=O)c1ccc(Cl)cc1	ZINC000032600301	209192610	/nfs/dbraw/zinc/19/26/10/209192610.db2.gz	SXBOEBXUAMELCF-UHFFFAOYSA-N	2	2	396.922	3.944	10	0		GHAELP
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1	ZINC000106217106	840779884	/nfs/dbraw/zinc/77/98/84/840779884.db2.gz	DFHSNSGEOXQCIT-GWZYHKFFSA-N	2	2	384.568	3.556	10	0		GHAELP
CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1	ZINC000106217106	840779891	/nfs/dbraw/zinc/77/98/91/840779891.db2.gz	DFHSNSGEOXQCIT-GWZYHKFFSA-N	2	2	384.568	3.556	10	0		GHAELP
Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(=O)N2CCCCCC2)CC1	ZINC000191896270	884217654	/nfs/dbraw/zinc/21/76/54/884217654.db2.gz	QVRAGDJQPUXDKO-UHFFFAOYSA-N	2	2	380.536	3.795	10	0		GHAELP
COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1NC(C)=O	ZINC000126271990	886950913	/nfs/dbraw/zinc/95/09/13/886950913.db2.gz	DGVJTRIZVFSVJU-WWMYMODYSA-N	2	2	396.535	3.610	10	0		GHAELP
COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1NC(C)=O	ZINC000126271990	886950923	/nfs/dbraw/zinc/95/09/23/886950923.db2.gz	DGVJTRIZVFSVJU-WWMYMODYSA-N	2	2	396.535	3.610	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(N2CCOC2=O)cc1	ZINC000246860431	891317103	/nfs/dbraw/zinc/31/71/03/891317103.db2.gz	BYINSKVARANDAX-NPPFBWRTSA-N	2	2	394.519	3.599	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(N2CCOC2=O)cc1	ZINC000246860431	891317120	/nfs/dbraw/zinc/31/71/20/891317120.db2.gz	BYINSKVARANDAX-NPPFBWRTSA-N	2	2	394.519	3.599	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc2c(c1)OCCCO2	ZINC000247066985	891341759	/nfs/dbraw/zinc/34/17/59/891341759.db2.gz	OBTALCWTGZUIAG-BBTUJRGHSA-N	2	2	381.520	3.804	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc2c(c1)OCCCO2	ZINC000247066985	891341778	/nfs/dbraw/zinc/34/17/78/891341778.db2.gz	OBTALCWTGZUIAG-BBTUJRGHSA-N	2	2	381.520	3.804	10	0		GHAELP
CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@@H](O)c2ccc(Cl)cc2)[C@@H]1c1cnn(C)c1	ZINC000328632274	209150397	/nfs/dbraw/zinc/15/03/97/209150397.db2.gz	LHIMYRKFPNSMNQ-IOMROCGXSA-N	2	2	390.959	3.512	10	0		GHAELP
CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@@H](O)c2ccc(Cl)cc2)[C@@H]1c1cnn(C)c1	ZINC000328632274	209150401	/nfs/dbraw/zinc/15/04/01/209150401.db2.gz	LHIMYRKFPNSMNQ-IOMROCGXSA-N	2	2	390.959	3.512	10	0		GHAELP
CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@@H](O)c2ccc(Cl)cc2)[C@@H]1c1cnn(C)c1	ZINC000328632274	209150402	/nfs/dbraw/zinc/15/04/02/209150402.db2.gz	LHIMYRKFPNSMNQ-IOMROCGXSA-N	2	2	390.959	3.512	10	0		GHAELP
CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@@H](O)c2ccc(Cl)cc2)[C@@H]1c1cnn(C)c1	ZINC000328632274	209150406	/nfs/dbraw/zinc/15/04/06/209150406.db2.gz	LHIMYRKFPNSMNQ-IOMROCGXSA-N	2	2	390.959	3.512	10	0		GHAELP
c1c(C[NH+]2CCC([NH+]3CCCC3)CC2)c(-c2ccncc2)nn1-c1ccccc1	ZINC000127729909	887094560	/nfs/dbraw/zinc/09/45/60/887094560.db2.gz	LRQCIRFLCIVQBB-UHFFFAOYSA-N	2	2	387.531	3.995	10	0		GHAELP
C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1	ZINC000245856290	889870700	/nfs/dbraw/zinc/87/07/00/889870700.db2.gz	HKZOTDFREDPASC-NSISKUIASA-N	2	2	388.556	3.642	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccc(N2CCOC2=O)c1	ZINC000246983731	891328043	/nfs/dbraw/zinc/32/80/43/891328043.db2.gz	KGCMTKZDYPTRNU-KGVIQGDOSA-N	2	2	394.519	3.599	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cccc(N2CCOC2=O)c1	ZINC000246983731	891328059	/nfs/dbraw/zinc/32/80/59/891328059.db2.gz	KGCMTKZDYPTRNU-KGVIQGDOSA-N	2	2	394.519	3.599	10	0		GHAELP
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1	ZINC000247543519	842869979	/nfs/dbraw/zinc/86/99/79/842869979.db2.gz	DFHSNSGEOXQCIT-JNEKLRAESA-N	2	2	384.568	3.556	10	0		GHAELP
CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1	ZINC000247543519	842869990	/nfs/dbraw/zinc/86/99/90/842869990.db2.gz	DFHSNSGEOXQCIT-JNEKLRAESA-N	2	2	384.568	3.556	10	0		GHAELP
CCc1[nH+]ccn1[C@@H]1CCCN(c2cc[nH+]c(N[C@H]3CCCO[C@H]3C(C)C)n2)C1	ZINC000330126022	862595838	/nfs/dbraw/zinc/59/58/38/862595838.db2.gz	IPAWIQBCHWPIQZ-LQWHRVPQSA-N	2	2	398.555	3.693	10	0		GHAELP
C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C2)CC1	ZINC000174896853	882535858	/nfs/dbraw/zinc/53/58/58/882535858.db2.gz	BTFVSJKHMRMTDD-LJQANCHMSA-N	2	2	388.943	3.597	10	0		GHAELP
C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C2)CC1	ZINC000174896853	882535866	/nfs/dbraw/zinc/53/58/66/882535866.db2.gz	BTFVSJKHMRMTDD-LJQANCHMSA-N	2	2	388.943	3.597	10	0		GHAELP
COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1	ZINC000247998911	891405811	/nfs/dbraw/zinc/40/58/11/891405811.db2.gz	KEORKOMDPQBHSE-SELNLUPBSA-N	2	2	383.536	3.668	10	0		GHAELP
COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1	ZINC000247998911	891405816	/nfs/dbraw/zinc/40/58/16/891405816.db2.gz	KEORKOMDPQBHSE-SELNLUPBSA-N	2	2	383.536	3.668	10	0		GHAELP
C[C@H](NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1	ZINC000333010500	899890422	/nfs/dbraw/zinc/89/04/22/899890422.db2.gz	FSUOEKWMSHRAJT-ROUUACIJSA-N	2	2	380.536	3.665	10	0		GHAELP
COc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C4CCSCC4)C3)C2)c1OC	ZINC000014974948	210139076	/nfs/dbraw/zinc/13/90/76/210139076.db2.gz	LIFWEMFSBOPOAB-JOCHJYFZSA-N	2	2	390.593	3.887	10	0		GHAELP
COc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](C4CCSCC4)C3)C2)c1OC	ZINC000014974948	210139079	/nfs/dbraw/zinc/13/90/79/210139079.db2.gz	LIFWEMFSBOPOAB-JOCHJYFZSA-N	2	2	390.593	3.887	10	0		GHAELP
COc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C4CCSCC4)C3)C2)c1OC	ZINC000014974948	210139084	/nfs/dbraw/zinc/13/90/84/210139084.db2.gz	LIFWEMFSBOPOAB-JOCHJYFZSA-N	2	2	390.593	3.887	10	0		GHAELP
COc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](C4CCSCC4)C3)C2)c1OC	ZINC000014974948	210139088	/nfs/dbraw/zinc/13/90/88/210139088.db2.gz	LIFWEMFSBOPOAB-JOCHJYFZSA-N	2	2	390.593	3.887	10	0		GHAELP
Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cnn1-c1ccccn1	ZINC000126143199	886936492	/nfs/dbraw/zinc/93/64/92/886936492.db2.gz	XWLPMXGSWKNFQV-SPEDKVCISA-N	2	2	390.535	3.532	10	0		GHAELP
Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cnn1-c1ccccn1	ZINC000126143199	886936503	/nfs/dbraw/zinc/93/65/03/886936503.db2.gz	XWLPMXGSWKNFQV-SPEDKVCISA-N	2	2	390.535	3.532	10	0		GHAELP
COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccn3)C[C@H]1C)CCCO2	ZINC000247110073	891370036	/nfs/dbraw/zinc/37/00/36/891370036.db2.gz	ABEUCOFWDSIXEB-ZPMCFJSWSA-N	2	2	381.520	3.804	10	0		GHAELP
COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccn3)C[C@H]1C)CCCO2	ZINC000247110073	891370049	/nfs/dbraw/zinc/37/00/49/891370049.db2.gz	ABEUCOFWDSIXEB-ZPMCFJSWSA-N	2	2	381.520	3.804	10	0		GHAELP
COCc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1OC	ZINC000247949392	891401679	/nfs/dbraw/zinc/40/16/79/891401679.db2.gz	DXEOZDCEIPPDAK-NPPFBWRTSA-N	2	2	383.536	3.798	10	0		GHAELP
COCc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1OC	ZINC000247949392	891401695	/nfs/dbraw/zinc/40/16/95/891401695.db2.gz	DXEOZDCEIPPDAK-NPPFBWRTSA-N	2	2	383.536	3.798	10	0		GHAELP
COCc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1OC	ZINC000247949388	891402156	/nfs/dbraw/zinc/40/21/56/891402156.db2.gz	DXEOZDCEIPPDAK-KGVIQGDOSA-N	2	2	383.536	3.798	10	0		GHAELP
COCc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccc1OC	ZINC000247949388	891402162	/nfs/dbraw/zinc/40/21/62/891402162.db2.gz	DXEOZDCEIPPDAK-KGVIQGDOSA-N	2	2	383.536	3.798	10	0		GHAELP
C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1	ZINC000333010501	899889729	/nfs/dbraw/zinc/88/97/29/899889729.db2.gz	FSUOEKWMSHRAJT-ZWKOTPCHSA-N	2	2	380.536	3.665	10	0		GHAELP
C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1	ZINC000332680032	836457076	/nfs/dbraw/zinc/45/70/76/836457076.db2.gz	GSFAYGCFXNHSMR-NLWGTHIKSA-N	2	2	380.536	3.665	10	0		GHAELP
C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1	ZINC000332680032	836457081	/nfs/dbraw/zinc/45/70/81/836457081.db2.gz	GSFAYGCFXNHSMR-NLWGTHIKSA-N	2	2	380.536	3.665	10	0		GHAELP
COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1OC	ZINC000155820787	849660212	/nfs/dbraw/zinc/66/02/12/849660212.db2.gz	NLUDFXQGMNUGET-WFXMLNOXSA-N	2	2	383.536	3.968	10	0		GHAELP
COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1OC	ZINC000155820787	849660220	/nfs/dbraw/zinc/66/02/20/849660220.db2.gz	NLUDFXQGMNUGET-WFXMLNOXSA-N	2	2	383.536	3.968	10	0		GHAELP
CCc1[nH+]ccn1[C@@H]1CCCN(c2cc[nH+]c(N[C@H]3CCCO[C@@H]3C(C)C)n2)C1	ZINC000330126023	862596157	/nfs/dbraw/zinc/59/61/57/862596157.db2.gz	IPAWIQBCHWPIQZ-LVCYWYKZSA-N	2	2	398.555	3.693	10	0		GHAELP
COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)s1	ZINC000245578278	888989752	/nfs/dbraw/zinc/98/97/52/888989752.db2.gz	AJSAYEHUVWSFHG-JTDSTZFVSA-N	2	2	388.581	3.597	10	0		GHAELP
COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)s1	ZINC000245578278	888989763	/nfs/dbraw/zinc/98/97/63/888989763.db2.gz	AJSAYEHUVWSFHG-JTDSTZFVSA-N	2	2	388.581	3.597	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(N2CCOC2=O)cc1	ZINC000246860407	891317307	/nfs/dbraw/zinc/31/73/07/891317307.db2.gz	BYINSKVARANDAX-KGVIQGDOSA-N	2	2	394.519	3.599	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(N2CCOC2=O)cc1	ZINC000246860407	891317323	/nfs/dbraw/zinc/31/73/23/891317323.db2.gz	BYINSKVARANDAX-KGVIQGDOSA-N	2	2	394.519	3.599	10	0		GHAELP
COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1OC	ZINC000247054133	891339278	/nfs/dbraw/zinc/33/92/78/891339278.db2.gz	NLUDFXQGMNUGET-LQWHRVPQSA-N	2	2	383.536	3.968	10	0		GHAELP
COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1OC	ZINC000247054133	891339294	/nfs/dbraw/zinc/33/92/94/891339294.db2.gz	NLUDFXQGMNUGET-LQWHRVPQSA-N	2	2	383.536	3.968	10	0		GHAELP
Fc1cc2c(cc1N1CC[NH2+]CC1)[nH+]cnc2NCc1cccc2ccccc21	ZINC000090557922	209236755	/nfs/dbraw/zinc/23/67/55/209236755.db2.gz	KIBHFAJGIJGSFO-UHFFFAOYSA-N	2	2	387.462	3.944	10	0		GHAELP
C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1	ZINC000104121364	856313060	/nfs/dbraw/zinc/31/30/60/856313060.db2.gz	AIXDIYUGMBZJHX-LJQANCHMSA-N	2	2	395.522	3.941	10	0		GHAELP
C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3csc(CCc4ccccc4)n3)C2)CC1	ZINC000182909742	883248680	/nfs/dbraw/zinc/24/86/80/883248680.db2.gz	BZYJSGBSMGCOPD-QFIPXVFZSA-N	2	2	398.620	3.530	10	0		GHAELP
C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3csc(CCc4ccccc4)n3)C2)CC1	ZINC000182909742	883248695	/nfs/dbraw/zinc/24/86/95/883248695.db2.gz	BZYJSGBSMGCOPD-QFIPXVFZSA-N	2	2	398.620	3.530	10	0		GHAELP
[NH3+][C@H]1CCCO[C@@H]1C1CCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1	ZINC000333716071	902287651	/nfs/dbraw/zinc/28/76/51/902287651.db2.gz	TVOZJVUTRIGAQV-ZWKOTPCHSA-N	2	2	379.426	3.976	10	0		GHAELP
CCCOc1c(C[NH2+]CCCn2cc[nH+]c2)cc(Br)cc1OC	ZINC000020934400	210370855	/nfs/dbraw/zinc/37/08/55/210370855.db2.gz	OLYIQEFDZAAGLH-UHFFFAOYSA-N	2	2	382.302	3.623	10	0		GHAELP
Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cnn1-c1ccccn1	ZINC000248198572	891416151	/nfs/dbraw/zinc/41/61/51/891416151.db2.gz	XWLPMXGSWKNFQV-KGVIQGDOSA-N	2	2	390.535	3.532	10	0		GHAELP
Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cnn1-c1ccccn1	ZINC000248198572	891416155	/nfs/dbraw/zinc/41/61/55/891416155.db2.gz	XWLPMXGSWKNFQV-KGVIQGDOSA-N	2	2	390.535	3.532	10	0		GHAELP
CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@H](O)c2ccccc2Cl)[C@@H]1c1cnn(C)c1	ZINC000328625336	209148113	/nfs/dbraw/zinc/14/81/13/209148113.db2.gz	CZWUUAJWHPFALC-ORYQWCPZSA-N	2	2	390.959	3.512	10	0		GHAELP
CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@H](O)c2ccccc2Cl)[C@@H]1c1cnn(C)c1	ZINC000328625336	209148116	/nfs/dbraw/zinc/14/81/16/209148116.db2.gz	CZWUUAJWHPFALC-ORYQWCPZSA-N	2	2	390.959	3.512	10	0		GHAELP
CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@H](O)c2ccccc2Cl)[C@@H]1c1cnn(C)c1	ZINC000328625336	209148120	/nfs/dbraw/zinc/14/81/20/209148120.db2.gz	CZWUUAJWHPFALC-ORYQWCPZSA-N	2	2	390.959	3.512	10	0		GHAELP
CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@H](O)c2ccccc2Cl)[C@@H]1c1cnn(C)c1	ZINC000328625336	209148126	/nfs/dbraw/zinc/14/81/26/209148126.db2.gz	CZWUUAJWHPFALC-ORYQWCPZSA-N	2	2	390.959	3.512	10	0		GHAELP
Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCS(=O)(=O)c3ccccc32)cc1	ZINC000186243938	883624682	/nfs/dbraw/zinc/62/46/82/883624682.db2.gz	XVWKXGVPFLXDDZ-QRWLVFNGSA-N	2	2	381.501	3.750	10	0		GHAELP
Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c(Cl)c1	ZINC000106164372	886027502	/nfs/dbraw/zinc/02/75/02/886027502.db2.gz	REDWIIOPCXXXRJ-MRXNPFEDSA-N	2	2	388.943	3.972	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cnn(Cc2ccccc2)c1	ZINC000126279645	886951217	/nfs/dbraw/zinc/95/12/17/886951217.db2.gz	UVJPTPHNGXRUBF-SKPFHBQLSA-N	2	2	389.547	3.888	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cnn(Cc2ccccc2)c1	ZINC000126279645	886951228	/nfs/dbraw/zinc/95/12/28/886951228.db2.gz	UVJPTPHNGXRUBF-SKPFHBQLSA-N	2	2	389.547	3.888	10	0		GHAELP
C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1	ZINC000332680034	836456712	/nfs/dbraw/zinc/45/67/12/836456712.db2.gz	GSFAYGCFXNHSMR-NSHGMRRFSA-N	2	2	380.536	3.665	10	0		GHAELP
C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1	ZINC000332680034	836456717	/nfs/dbraw/zinc/45/67/17/836456717.db2.gz	GSFAYGCFXNHSMR-NSHGMRRFSA-N	2	2	380.536	3.665	10	0		GHAELP
COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc(OC)c1OC	ZINC000247147029	891350078	/nfs/dbraw/zinc/35/00/78/891350078.db2.gz	SRLDSUPUIXHTNJ-FUHIMQAGSA-N	2	2	399.535	3.669	10	0		GHAELP
COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc(OC)c1OC	ZINC000247147029	891350088	/nfs/dbraw/zinc/35/00/88/891350088.db2.gz	SRLDSUPUIXHTNJ-FUHIMQAGSA-N	2	2	399.535	3.669	10	0		GHAELP
O=C(C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1)N1CCc2ccccc21	ZINC000101545611	851668665	/nfs/dbraw/zinc/66/86/65/851668665.db2.gz	KSIACFFSEUWPEP-UHFFFAOYSA-N	2	2	386.499	3.674	10	0		GHAELP
C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1cccc(-n2cc[nH+]c2)c1	ZINC000173453068	865644900	/nfs/dbraw/zinc/64/49/00/865644900.db2.gz	SGDOXUPIQBHRGW-WIYYLYMNSA-N	2	2	381.524	3.593	10	0		GHAELP
Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCS(=O)(=O)c3ccccc32)cc1	ZINC000186243902	883625101	/nfs/dbraw/zinc/62/51/01/883625101.db2.gz	XVWKXGVPFLXDDZ-FOIQADDNSA-N	2	2	381.501	3.750	10	0		GHAELP
CCOc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OCc1ccc(C)cc1	ZINC000020874292	570283038	/nfs/dbraw/zinc/28/30/38/570283038.db2.gz	OQLPLYSMJLAXDS-UHFFFAOYSA-N	2	2	398.547	3.785	10	0		GHAELP
C[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1cccc(-n2cc[nH+]c2)c1	ZINC000173453846	865646504	/nfs/dbraw/zinc/64/65/04/865646504.db2.gz	HALZRJWEILHKLC-NQIIRXRSSA-N	2	2	381.524	3.593	10	0		GHAELP
COc1cc(-c2nc(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)cs2)ccc1O	ZINC000112345572	886259700	/nfs/dbraw/zinc/25/97/00/886259700.db2.gz	IZIBFSNEZPMMLM-UHFFFAOYSA-N	2	2	398.532	3.713	10	0		GHAELP
COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1	ZINC000126162582	886938221	/nfs/dbraw/zinc/93/82/21/886938221.db2.gz	KEORKOMDPQBHSE-MSYCTHLASA-N	2	2	383.536	3.668	10	0		GHAELP
COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1	ZINC000126162582	886938230	/nfs/dbraw/zinc/93/82/30/886938230.db2.gz	KEORKOMDPQBHSE-MSYCTHLASA-N	2	2	383.536	3.668	10	0		GHAELP
CCS(=O)(=O)CCCCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1	ZINC000249066983	891492189	/nfs/dbraw/zinc/49/21/89/891492189.db2.gz	KGGZDYVYAHXUOG-PZJWPPBQSA-N	2	2	380.598	3.576	10	0		GHAELP
CCS(=O)(=O)CCCCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1	ZINC000249066983	891492199	/nfs/dbraw/zinc/49/21/99/891492199.db2.gz	KGGZDYVYAHXUOG-PZJWPPBQSA-N	2	2	380.598	3.576	10	0		GHAELP
CCS(=O)(=O)CCCCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000249066983	891492209	/nfs/dbraw/zinc/49/22/09/891492209.db2.gz	KGGZDYVYAHXUOG-PZJWPPBQSA-N	2	2	380.598	3.576	10	0		GHAELP
CCS(=O)(=O)CCCCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000249066983	891492215	/nfs/dbraw/zinc/49/22/15/891492215.db2.gz	KGGZDYVYAHXUOG-PZJWPPBQSA-N	2	2	380.598	3.576	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(N2CCOC2=O)c1	ZINC000246983755	891328130	/nfs/dbraw/zinc/32/81/30/891328130.db2.gz	KGCMTKZDYPTRNU-NPPFBWRTSA-N	2	2	394.519	3.599	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(N2CCOC2=O)c1	ZINC000246983755	891328145	/nfs/dbraw/zinc/32/81/45/891328145.db2.gz	KGCMTKZDYPTRNU-NPPFBWRTSA-N	2	2	394.519	3.599	10	0		GHAELP
COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1	ZINC000247998914	891405720	/nfs/dbraw/zinc/40/57/20/891405720.db2.gz	KEORKOMDPQBHSE-SFYKDHMMSA-N	2	2	383.536	3.668	10	0		GHAELP
COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1	ZINC000247998914	891405723	/nfs/dbraw/zinc/40/57/23/891405723.db2.gz	KEORKOMDPQBHSE-SFYKDHMMSA-N	2	2	383.536	3.668	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccc(OCC[NH+](C)C)c1	ZINC000248198788	891415971	/nfs/dbraw/zinc/41/59/71/891415971.db2.gz	XXBXYGYXFFAGOI-JXALWOEJSA-N	3	2	396.579	3.583	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cccc(OCC[NH+](C)C)c1	ZINC000248198788	891415977	/nfs/dbraw/zinc/41/59/77/891415977.db2.gz	XXBXYGYXFFAGOI-JXALWOEJSA-N	3	2	396.579	3.583	10	0		GHAELP
COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc(OC)c1OC	ZINC000247147018	891349689	/nfs/dbraw/zinc/34/96/89/891349689.db2.gz	SRLDSUPUIXHTNJ-ABSDTBQOSA-N	2	2	399.535	3.669	10	0		GHAELP
COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc(OC)c1OC	ZINC000247147018	891349702	/nfs/dbraw/zinc/34/97/02/891349702.db2.gz	SRLDSUPUIXHTNJ-ABSDTBQOSA-N	2	2	399.535	3.669	10	0		GHAELP
CCCOc1c(Br)cc(Br)cc1C[NH2+]CCC[NH2+]C	ZINC000020967882	570285603	/nfs/dbraw/zinc/28/56/03/570285603.db2.gz	PJFNXKUDRYOFQH-UHFFFAOYSA-N	2	2	394.151	3.700	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(OCC[NH+](C)C)cc1	ZINC000126118536	886935444	/nfs/dbraw/zinc/93/54/44/886935444.db2.gz	OEBODEYGMKDJGP-NMMYMHLASA-N	3	2	396.579	3.583	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(OCC[NH+](C)C)cc1	ZINC000126118536	886935451	/nfs/dbraw/zinc/93/54/51/886935451.db2.gz	OEBODEYGMKDJGP-NMMYMHLASA-N	3	2	396.579	3.583	10	0		GHAELP
C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3coc(-c4cccc(Cl)c4)n3)C2)CC1	ZINC000136065048	888273616	/nfs/dbraw/zinc/27/36/16/888273616.db2.gz	HINUPOWDMZFZGD-FQEVSTJZSA-N	2	2	388.943	3.597	10	0		GHAELP
C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3coc(-c4cccc(Cl)c4)n3)C2)CC1	ZINC000136065048	888273631	/nfs/dbraw/zinc/27/36/31/888273631.db2.gz	HINUPOWDMZFZGD-FQEVSTJZSA-N	2	2	388.943	3.597	10	0		GHAELP
C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc2c(c1)COC(C)(C)O2	ZINC000248725084	891461631	/nfs/dbraw/zinc/46/16/31/891461631.db2.gz	MYPKZODXDDIWNV-DYESRHJHSA-N	2	2	381.520	3.727	10	0		GHAELP
C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc2c(c1)COC(C)(C)O2	ZINC000248725084	891461632	/nfs/dbraw/zinc/46/16/32/891461632.db2.gz	MYPKZODXDDIWNV-DYESRHJHSA-N	2	2	381.520	3.727	10	0		GHAELP
[NH3+][C@@H]1CCCO[C@H]1C1CCN(c2cc[nH+]c3c(Br)cccc23)CC1	ZINC000333645858	902243010	/nfs/dbraw/zinc/24/30/10/902243010.db2.gz	IYQUMQYWYNBPHS-APWZRJJASA-N	2	2	390.325	3.720	10	0		GHAELP
C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000328752915	840253729	/nfs/dbraw/zinc/25/37/29/840253729.db2.gz	NMRJNELWQURJSC-BZUAXINKSA-N	2	2	390.553	3.680	10	0		GHAELP
CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)C1	ZINC000106214942	840780153	/nfs/dbraw/zinc/78/01/53/840780153.db2.gz	QEVIACKGTKFZJX-AWEZNQCLSA-N	2	2	396.564	3.748	10	0		GHAELP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)C1	ZINC000106214942	840780162	/nfs/dbraw/zinc/78/01/62/840780162.db2.gz	QEVIACKGTKFZJX-AWEZNQCLSA-N	2	2	396.564	3.748	10	0		GHAELP
Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c(Cl)c1	ZINC000106164378	886027580	/nfs/dbraw/zinc/02/75/80/886027580.db2.gz	REDWIIOPCXXXRJ-INIZCTEOSA-N	2	2	388.943	3.972	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(N2CCCC2=O)cc1	ZINC000246868401	891318956	/nfs/dbraw/zinc/31/89/56/891318956.db2.gz	CINMDYYLKCKSOE-SFYKDHMMSA-N	2	2	392.547	3.770	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(N2CCCC2=O)cc1	ZINC000246868401	891318975	/nfs/dbraw/zinc/31/89/75/891318975.db2.gz	CINMDYYLKCKSOE-SFYKDHMMSA-N	2	2	392.547	3.770	10	0		GHAELP
C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccn1Cc1cccs1	ZINC000246883174	891319439	/nfs/dbraw/zinc/31/94/39/891319439.db2.gz	BCUFTBYZGOAMNJ-PGRDOPGGSA-N	2	2	380.561	3.993	10	0		GHAELP
C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccn1Cc1cccs1	ZINC000246883174	891319453	/nfs/dbraw/zinc/31/94/53/891319453.db2.gz	BCUFTBYZGOAMNJ-PGRDOPGGSA-N	2	2	380.561	3.993	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(OCC[NH+](C)C)c1	ZINC000248198789	891415483	/nfs/dbraw/zinc/41/54/83/891415483.db2.gz	XXBXYGYXFFAGOI-MZLICYQSSA-N	3	2	396.579	3.583	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(OCC[NH+](C)C)c1	ZINC000248198789	891415498	/nfs/dbraw/zinc/41/54/98/891415498.db2.gz	XXBXYGYXFFAGOI-MZLICYQSSA-N	3	2	396.579	3.583	10	0		GHAELP
C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000328752919	840254287	/nfs/dbraw/zinc/25/42/87/840254287.db2.gz	NMRJNELWQURJSC-XHSDSOJGSA-N	2	2	390.553	3.680	10	0		GHAELP
C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000328752919	840254299	/nfs/dbraw/zinc/25/42/99/840254299.db2.gz	NMRJNELWQURJSC-XHSDSOJGSA-N	2	2	390.553	3.680	10	0		GHAELP
C[N@H+](Cc1ccccc1)[C@H](CNC1CC[NH+](Cc2cccnc2)CC1)C1CC1	ZINC000186879755	883726376	/nfs/dbraw/zinc/72/63/76/883726376.db2.gz	NFSSFCZJMLVMHN-XMMPIXPASA-N	2	2	378.564	3.546	10	0		GHAELP
C[N@@H+](Cc1ccccc1)[C@H](CNC1CC[NH+](Cc2cccnc2)CC1)C1CC1	ZINC000186879755	883726384	/nfs/dbraw/zinc/72/63/84/883726384.db2.gz	NFSSFCZJMLVMHN-XMMPIXPASA-N	2	2	378.564	3.546	10	0		GHAELP
CCn1ncc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(OC)cc3)C2)c1C	ZINC000014977088	221323811	/nfs/dbraw/zinc/32/38/11/221323811.db2.gz	KMSIJGKXRDVEPD-OAQYLSRUSA-N	2	2	384.568	3.607	10	0		GHAELP
CCn1ncc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(OC)cc3)C2)c1C	ZINC000014977088	221323814	/nfs/dbraw/zinc/32/38/14/221323814.db2.gz	KMSIJGKXRDVEPD-OAQYLSRUSA-N	2	2	384.568	3.607	10	0		GHAELP
CCn1ncc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(OC)cc3)C2)c1C	ZINC000014977088	221323818	/nfs/dbraw/zinc/32/38/18/221323818.db2.gz	KMSIJGKXRDVEPD-OAQYLSRUSA-N	2	2	384.568	3.607	10	0		GHAELP
CCn1ncc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(OC)cc3)C2)c1C	ZINC000014977088	221323821	/nfs/dbraw/zinc/32/38/21/221323821.db2.gz	KMSIJGKXRDVEPD-OAQYLSRUSA-N	2	2	384.568	3.607	10	0		GHAELP
C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1cccc(-n2cc[nH+]c2)c1	ZINC000173453053	865644772	/nfs/dbraw/zinc/64/47/72/865644772.db2.gz	SGDOXUPIQBHRGW-GHTZIAJQSA-N	2	2	381.524	3.593	10	0		GHAELP
C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1cccc(-n2cc[nH+]c2)c1	ZINC000173453834	865646923	/nfs/dbraw/zinc/64/69/23/865646923.db2.gz	HALZRJWEILHKLC-RXVVDRJESA-N	2	2	381.524	3.593	10	0		GHAELP
C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3csc(CCc4ccccc4)n3)C2)CC1	ZINC000182909722	883248301	/nfs/dbraw/zinc/24/83/01/883248301.db2.gz	BZYJSGBSMGCOPD-JOCHJYFZSA-N	2	2	398.620	3.530	10	0		GHAELP
C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3csc(CCc4ccccc4)n3)C2)CC1	ZINC000182909722	883248320	/nfs/dbraw/zinc/24/83/20/883248320.db2.gz	BZYJSGBSMGCOPD-JOCHJYFZSA-N	2	2	398.620	3.530	10	0		GHAELP
c1c(C[NH+]2CCC([NH+]3CCCC3)CC2)c(-c2cccnc2)nn1-c1ccccc1	ZINC000127773610	887097900	/nfs/dbraw/zinc/09/79/00/887097900.db2.gz	MIBJVBAGMOILFR-UHFFFAOYSA-N	2	2	387.531	3.995	10	0		GHAELP
COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc(OC)c1OC	ZINC000157476355	834934934	/nfs/dbraw/zinc/93/49/34/834934934.db2.gz	SRLDSUPUIXHTNJ-UWVAXJGDSA-N	2	2	399.535	3.669	10	0		GHAELP
COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc(OC)c1OC	ZINC000157476355	834934944	/nfs/dbraw/zinc/93/49/44/834934944.db2.gz	SRLDSUPUIXHTNJ-UWVAXJGDSA-N	2	2	399.535	3.669	10	0		GHAELP
Cn1cc[nH+]c1CC1CC[NH+](CC(=O)Nc2ccccc2-c2ccccc2)CC1	ZINC000106165685	886026293	/nfs/dbraw/zinc/02/62/93/886026293.db2.gz	NWRQITAQTPEAJU-UHFFFAOYSA-N	2	2	388.515	3.980	10	0		GHAELP
C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3coc(-c4cccc(Cl)c4)n3)C2)CC1	ZINC000136065013	888273771	/nfs/dbraw/zinc/27/37/71/888273771.db2.gz	HINUPOWDMZFZGD-HXUWFJFHSA-N	2	2	388.943	3.597	10	0		GHAELP
C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3coc(-c4cccc(Cl)c4)n3)C2)CC1	ZINC000136065013	888273785	/nfs/dbraw/zinc/27/37/85/888273785.db2.gz	HINUPOWDMZFZGD-HXUWFJFHSA-N	2	2	388.943	3.597	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc2c(c1)OCCCO2	ZINC000247067000	891341033	/nfs/dbraw/zinc/34/10/33/891341033.db2.gz	OBTALCWTGZUIAG-LVCYWYKZSA-N	2	2	381.520	3.804	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc2c(c1)OCCCO2	ZINC000247067000	891341043	/nfs/dbraw/zinc/34/10/43/891341043.db2.gz	OBTALCWTGZUIAG-LVCYWYKZSA-N	2	2	381.520	3.804	10	0		GHAELP
COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cn4ccsc4n3)CC2)c1C	ZINC000171693229	882152034	/nfs/dbraw/zinc/15/20/34/882152034.db2.gz	GNEANBNTAPYLPJ-UHFFFAOYSA-N	2	2	399.564	3.513	10	0		GHAELP
COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cn4ccsc4n3)CC2)c1C	ZINC000171693229	882152048	/nfs/dbraw/zinc/15/20/48/882152048.db2.gz	GNEANBNTAPYLPJ-UHFFFAOYSA-N	2	2	399.564	3.513	10	0		GHAELP
CCn1ncc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3OC)C2)c1C	ZINC000011843109	221132276	/nfs/dbraw/zinc/13/22/76/221132276.db2.gz	ZMMDWGOBHPYYDS-HXUWFJFHSA-N	2	2	384.568	3.607	10	0		GHAELP
CCn1ncc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3OC)C2)c1C	ZINC000011843109	221132277	/nfs/dbraw/zinc/13/22/77/221132277.db2.gz	ZMMDWGOBHPYYDS-HXUWFJFHSA-N	2	2	384.568	3.607	10	0		GHAELP
CCn1ncc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccccc3OC)C2)c1C	ZINC000011843109	221132281	/nfs/dbraw/zinc/13/22/81/221132281.db2.gz	ZMMDWGOBHPYYDS-HXUWFJFHSA-N	2	2	384.568	3.607	10	0		GHAELP
CCn1ncc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccccc3OC)C2)c1C	ZINC000011843109	221132283	/nfs/dbraw/zinc/13/22/83/221132283.db2.gz	ZMMDWGOBHPYYDS-HXUWFJFHSA-N	2	2	384.568	3.607	10	0		GHAELP
c1[nH+]c(C2CCCCC2)n2c1C[C@H](c1nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no1)CC2	ZINC000329747803	862288340	/nfs/dbraw/zinc/28/83/40/862288340.db2.gz	ZPUICDTWBZKXTK-ZIFCJYIRSA-N	2	2	397.523	3.580	10	0		GHAELP
c1[nH+]c(C2CCCCC2)n2c1C[C@H](c1nc([C@H]3C[N@H+]4CCC[C@H]4CO3)no1)CC2	ZINC000329747803	862288351	/nfs/dbraw/zinc/28/83/51/862288351.db2.gz	ZPUICDTWBZKXTK-ZIFCJYIRSA-N	2	2	397.523	3.580	10	0		GHAELP
C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccn1Cc1cccs1	ZINC000119303327	875109786	/nfs/dbraw/zinc/10/97/86/875109786.db2.gz	BCUFTBYZGOAMNJ-AVRDEDQJSA-N	2	2	380.561	3.993	10	0		GHAELP
C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccn1Cc1cccs1	ZINC000119303327	875109792	/nfs/dbraw/zinc/10/97/92/875109792.db2.gz	BCUFTBYZGOAMNJ-AVRDEDQJSA-N	2	2	380.561	3.993	10	0		GHAELP
Cc1ccc(N2CCC([NH2+][C@H](C)c3ncc(Br)s3)CC2)[nH+]c1	ZINC000179233567	882982909	/nfs/dbraw/zinc/98/29/09/882982909.db2.gz	BTZXLLRIZILCLI-GFCCVEGCSA-N	2	2	381.343	3.929	10	0		GHAELP
C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3csc(-c4ccc(F)cc4)n3)C2)CC1	ZINC000182899502	883247146	/nfs/dbraw/zinc/24/71/46/883247146.db2.gz	ARRUEQJXXPTCGT-HXUWFJFHSA-N	2	2	388.556	3.551	10	0		GHAELP
C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)C2)CC1	ZINC000182899502	883247187	/nfs/dbraw/zinc/24/71/87/883247187.db2.gz	ARRUEQJXXPTCGT-HXUWFJFHSA-N	2	2	388.556	3.551	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(OCC[NH+](C)C)cc1	ZINC000248128240	891410594	/nfs/dbraw/zinc/41/05/94/891410594.db2.gz	OEBODEYGMKDJGP-JXALWOEJSA-N	3	2	396.579	3.583	10	0		GHAELP
C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(OCC[NH+](C)C)cc1	ZINC000248128240	891410601	/nfs/dbraw/zinc/41/06/01/891410601.db2.gz	OEBODEYGMKDJGP-JXALWOEJSA-N	3	2	396.579	3.583	10	0		GHAELP
Cc1ccc(COc2c(Cl)cc(Cl)cc2C[NH2+]CCC[NH2+]CCO)cc1	ZINC000013733215	221286082	/nfs/dbraw/zinc/28/60/82/221286082.db2.gz	GISUVSNYABBYQP-UHFFFAOYSA-N	2	2	397.346	3.942	10	0		GHAELP
C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1	ZINC000104121360	856312891	/nfs/dbraw/zinc/31/28/91/856312891.db2.gz	AIXDIYUGMBZJHX-IBGZPJMESA-N	2	2	395.522	3.941	10	0		GHAELP
COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccn3)C[C@@H]1C)CCCO2	ZINC000126127701	886934840	/nfs/dbraw/zinc/93/48/40/886934840.db2.gz	ABEUCOFWDSIXEB-BULFRSBZSA-N	2	2	381.520	3.804	10	0		GHAELP
COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccn3)C[C@@H]1C)CCCO2	ZINC000126127701	886934849	/nfs/dbraw/zinc/93/48/49/886934849.db2.gz	ABEUCOFWDSIXEB-BULFRSBZSA-N	2	2	381.520	3.804	10	0		GHAELP
CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@H](O)c2ccc(Cl)cc2)[C@@H]1c1cnn(C)c1	ZINC000328632273	212087112	/nfs/dbraw/zinc/08/71/12/212087112.db2.gz	LHIMYRKFPNSMNQ-DZFGPLHGSA-N	2	2	390.959	3.512	10	0		GHAELP
CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@H](O)c2ccc(Cl)cc2)[C@@H]1c1cnn(C)c1	ZINC000328632273	212087114	/nfs/dbraw/zinc/08/71/14/212087114.db2.gz	LHIMYRKFPNSMNQ-DZFGPLHGSA-N	2	2	390.959	3.512	10	0		GHAELP
CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@H](O)c2ccc(Cl)cc2)[C@@H]1c1cnn(C)c1	ZINC000328632273	212087116	/nfs/dbraw/zinc/08/71/16/212087116.db2.gz	LHIMYRKFPNSMNQ-DZFGPLHGSA-N	2	2	390.959	3.512	10	0		GHAELP
CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@H](O)c2ccc(Cl)cc2)[C@@H]1c1cnn(C)c1	ZINC000328632273	212087117	/nfs/dbraw/zinc/08/71/17/212087117.db2.gz	LHIMYRKFPNSMNQ-DZFGPLHGSA-N	2	2	390.959	3.512	10	0		GHAELP
COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1OC	ZINC000155820579	849660304	/nfs/dbraw/zinc/66/03/04/849660304.db2.gz	NLUDFXQGMNUGET-BBTUJRGHSA-N	2	2	383.536	3.968	10	0		GHAELP
COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1OC	ZINC000155820579	849660306	/nfs/dbraw/zinc/66/03/06/849660306.db2.gz	NLUDFXQGMNUGET-BBTUJRGHSA-N	2	2	383.536	3.968	10	0		GHAELP
CCc1[nH+]ccn1[C@@H]1CCCN(c2cc[nH+]c(N[C@@H]3CCCO[C@H]3C(C)C)n2)C1	ZINC000330126024	862596104	/nfs/dbraw/zinc/59/61/04/862596104.db2.gz	IPAWIQBCHWPIQZ-OPYAIIAOSA-N	2	2	398.555	3.693	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1	ZINC000126118726	886935491	/nfs/dbraw/zinc/93/54/91/886935491.db2.gz	OEBODEYGMKDJGP-SKPFHBQLSA-N	3	2	396.579	3.583	10	0		GHAELP
C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1	ZINC000126118726	886935501	/nfs/dbraw/zinc/93/55/01/886935501.db2.gz	OEBODEYGMKDJGP-SKPFHBQLSA-N	3	2	396.579	3.583	10	0		GHAELP
Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCCC[C@@H](N4CC[NH+](C)CC4)C3)o2)cc1C	ZINC000245530843	888850686	/nfs/dbraw/zinc/85/06/86/888850686.db2.gz	SPOUMNXHVFFZHX-TZIWHRDSSA-N	2	2	397.567	3.516	10	0		GHAELP
Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CCCC[C@@H](N4CC[NH+](C)CC4)C3)o2)cc1C	ZINC000245530843	888850698	/nfs/dbraw/zinc/85/06/98/888850698.db2.gz	SPOUMNXHVFFZHX-TZIWHRDSSA-N	2	2	397.567	3.516	10	0		GHAELP
C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000253551579	891878713	/nfs/dbraw/zinc/87/87/13/891878713.db2.gz	ZACMMUOXUNLVPT-FGTMMUONSA-N	2	2	398.551	3.608	10	0		GHAELP
C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000253551579	891878729	/nfs/dbraw/zinc/87/87/29/891878729.db2.gz	ZACMMUOXUNLVPT-FGTMMUONSA-N	2	2	398.551	3.608	10	0		GHAELP
CCc1oc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1C[NH+]1CCCC1	ZINC000055074073	924035147	/nfs/dbraw/zinc/03/51/47/924035147.db2.gz	CIFAHELXQSHALY-UHFFFAOYSA-N	2	2	378.476	3.554	10	0		GHAELP