smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cc(O)ccc2Br)nc[nH+]1	ZINC000127112524	551336557	/nfs/dbraw/zinc/33/65/57/551336557.db2.gz	LVUQYZZHSFHJCB-CYBMUJFWSA-N	2	2	392.301	2.745	10	0		GFAELP
O[C@@H](C[NH2+]CC1=Cc2cc(Br)ccc2OC1)C[NH+]1CCCCC1	ZINC000171050933	551645254	/nfs/dbraw/zinc/64/52/54/551645254.db2.gz	RRRWKOOEVAUAIF-KRWDZBQOSA-N	2	2	381.314	2.661	10	0		GFAELP
C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1cccc(Br)c1	ZINC000175596244	552125830	/nfs/dbraw/zinc/12/58/30/552125830.db2.gz	HOJWMKYDORTIFH-CQSZACIVSA-N	2	2	397.361	2.835	10	0		GFAELP
C[NH+](C)CCC[N@H+](C)Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)cc1	ZINC000048175396	205115293	/nfs/dbraw/zinc/11/52/93/205115293.db2.gz	CVFGIABJKYGAHE-UHFFFAOYSA-N	2	2	377.492	2.882	10	0		GFAELP
C[NH+](C)CCC[N@@H+](C)Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)cc1	ZINC000048175396	205115294	/nfs/dbraw/zinc/11/52/94/205115294.db2.gz	CVFGIABJKYGAHE-UHFFFAOYSA-N	2	2	377.492	2.882	10	0		GFAELP
COCCNC(=O)CC[C@H]1C[N@H+](Cc2cccc(Cl)c2)CC[C@H]1[NH+](C)C	ZINC000012055611	570601933	/nfs/dbraw/zinc/60/19/33/570601933.db2.gz	JFNLUFZZNGEVRH-PKOBYXMFSA-N	2	2	381.948	2.635	10	0		GFAELP
COCCNC(=O)CC[C@H]1C[N@@H+](Cc2cccc(Cl)c2)CC[C@H]1[NH+](C)C	ZINC000012055611	570601939	/nfs/dbraw/zinc/60/19/39/570601939.db2.gz	JFNLUFZZNGEVRH-PKOBYXMFSA-N	2	2	381.948	2.635	10	0		GFAELP
Cc1nc([C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)n(-c2ccc3c(c2)OCCO3)n1	ZINC000063884571	205189590	/nfs/dbraw/zinc/18/95/90/205189590.db2.gz	XBPGICLHBWNYNA-QGZVFWFLSA-N	2	2	397.523	2.621	10	0		GFAELP
Cc1nc([C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)n(-c2ccc3c(c2)OCCO3)n1	ZINC000063884571	205189593	/nfs/dbraw/zinc/18/95/93/205189593.db2.gz	XBPGICLHBWNYNA-QGZVFWFLSA-N	2	2	397.523	2.621	10	0		GFAELP
O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccc(Br)cn1	ZINC000171643888	551659911	/nfs/dbraw/zinc/65/99/11/551659911.db2.gz	QUOOVVBREPBYJL-ZDUSSCGKSA-N	2	2	390.285	2.612	10	0		GFAELP
O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccc(Br)cn1	ZINC000171643888	551659913	/nfs/dbraw/zinc/65/99/13/551659913.db2.gz	QUOOVVBREPBYJL-ZDUSSCGKSA-N	2	2	390.285	2.612	10	0		GFAELP
C[NH+](C)CCNC(=O)c1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)o1	ZINC000034668664	570292960	/nfs/dbraw/zinc/29/29/60/570292960.db2.gz	DVJKATAOXCRVRG-UHFFFAOYSA-N	2	2	390.915	2.547	10	0		GFAELP
C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(I)cc1	ZINC000151329044	551411573	/nfs/dbraw/zinc/41/15/73/551411573.db2.gz	WHRWLXVHXPBQGQ-XJKSGUPXSA-N	2	2	388.293	2.789	10	0		GFAELP
COc1cc(C[NH2+]Cc2csc(C)n2)ccc1OC[C@H](O)C[NH+]1CCCC1	ZINC000012373529	570413697	/nfs/dbraw/zinc/41/36/97/570413697.db2.gz	BVLIVHLOVCBMHT-GOSISDBHSA-N	2	2	391.537	2.585	10	0		GFAELP
CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cn2)C1	ZINC000106214540	655104943	/nfs/dbraw/zinc/10/49/43/655104943.db2.gz	UXJTXYIFDVPBAM-AWEZNQCLSA-N	2	2	392.301	2.879	10	0		GFAELP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1	ZINC000106214540	655104946	/nfs/dbraw/zinc/10/49/46/655104946.db2.gz	UXJTXYIFDVPBAM-AWEZNQCLSA-N	2	2	392.301	2.879	10	0		GFAELP
CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cc(O)ccc2Br)nc[nH+]1	ZINC000127112775	551336829	/nfs/dbraw/zinc/33/68/29/551336829.db2.gz	LVUQYZZHSFHJCB-ZDUSSCGKSA-N	2	2	392.301	2.745	10	0		GFAELP
C[NH+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1	ZINC000135335220	551387184	/nfs/dbraw/zinc/38/71/84/551387184.db2.gz	NWLFRSIOGCHUQW-IAGOWNOFSA-N	2	2	380.330	2.749	10	0		GFAELP
O[C@H](C[NH2+]CC1=Cc2cc(Br)ccc2OC1)C[NH+]1CCCCC1	ZINC000171050938	551645281	/nfs/dbraw/zinc/64/52/81/551645281.db2.gz	RRRWKOOEVAUAIF-QGZVFWFLSA-N	2	2	381.314	2.661	10	0		GFAELP
O[C@H](COc1cccc(Br)c1)C[NH+]1CCC(n2cc[nH+]c2)CC1	ZINC000171942852	551666676	/nfs/dbraw/zinc/66/66/76/551666676.db2.gz	BFJYEAYWFFFXIC-INIZCTEOSA-N	2	2	380.286	2.722	10	0		GFAELP
O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccc(Br)cn1	ZINC000171643892	551659873	/nfs/dbraw/zinc/65/98/73/551659873.db2.gz	QUOOVVBREPBYJL-CYBMUJFWSA-N	2	2	390.285	2.612	10	0		GFAELP
O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccc(Br)cn1	ZINC000171643892	551659877	/nfs/dbraw/zinc/65/98/77/551659877.db2.gz	QUOOVVBREPBYJL-CYBMUJFWSA-N	2	2	390.285	2.612	10	0		GFAELP
C[N@H+](Cc1ccc(Br)cn1)C1CC[NH+](CCn2cccn2)CC1	ZINC000171973348	551667931	/nfs/dbraw/zinc/66/79/31/551667931.db2.gz	AQXCDDFTWZJRDH-UHFFFAOYSA-N	2	2	378.318	2.637	10	0		GFAELP
C[N@@H+](Cc1ccc(Br)cn1)C1CC[NH+](CCn2cccn2)CC1	ZINC000171973348	551667934	/nfs/dbraw/zinc/66/79/34/551667934.db2.gz	AQXCDDFTWZJRDH-UHFFFAOYSA-N	2	2	378.318	2.637	10	0		GFAELP
C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1cccc(Br)c1	ZINC000175596221	552125842	/nfs/dbraw/zinc/12/58/42/552125842.db2.gz	HOJWMKYDORTIFH-AWEZNQCLSA-N	2	2	397.361	2.835	10	0		GFAELP
C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc(Br)c2)C[C@H]1n1cc[nH+]c1	ZINC000245575099	553093242	/nfs/dbraw/zinc/09/32/42/553093242.db2.gz	HNDINCZFWNYUIL-UWWQBHOKSA-N	2	2	394.313	2.968	10	0		GFAELP
C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc(Br)c2)C[C@H]1n1cc[nH+]c1	ZINC000245575099	553093244	/nfs/dbraw/zinc/09/32/44/553093244.db2.gz	HNDINCZFWNYUIL-UWWQBHOKSA-N	2	2	394.313	2.968	10	0		GFAELP
Cn1c(C(=O)NCC[NH+]2CCCC2)cc2c1CC[N@@H+](Cc1cccc(F)c1)C2	ZINC000065211134	570730332	/nfs/dbraw/zinc/73/03/32/570730332.db2.gz	ODFVGOGLZBTIFT-UHFFFAOYSA-N	2	2	384.499	2.548	10	0		GFAELP
Cn1c(C(=O)NCC[NH+]2CCCC2)cc2c1CC[N@H+](Cc1cccc(F)c1)C2	ZINC000065211134	570730337	/nfs/dbraw/zinc/73/03/37/570730337.db2.gz	ODFVGOGLZBTIFT-UHFFFAOYSA-N	2	2	384.499	2.548	10	0		GFAELP
Cc1ccc(C[N@@H+]2CCC[C@]3(C(=O)N(C)C)CN(c4cccc[nH+]4)C[C@@H]3C2)o1	ZINC000096056126	208260101	/nfs/dbraw/zinc/26/01/01/208260101.db2.gz	PJCRXMUONICYSZ-AVRDEDQJSA-N	2	2	382.508	2.790	10	0		GFAELP
Cc1ccc(C[N@H+]2CCC[C@]3(C(=O)N(C)C)CN(c4cccc[nH+]4)C[C@@H]3C2)o1	ZINC000096056126	208260106	/nfs/dbraw/zinc/26/01/06/208260106.db2.gz	PJCRXMUONICYSZ-AVRDEDQJSA-N	2	2	382.508	2.790	10	0		GFAELP
C[C@@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1cccc(-n2cc[nH+]c2)c1	ZINC000180657568	552232589	/nfs/dbraw/zinc/23/25/89/552232589.db2.gz	MKMOVCGAJULBNU-CYBMUJFWSA-N	2	2	376.507	2.724	10	0		GFAELP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000252802122	553150370	/nfs/dbraw/zinc/15/03/70/553150370.db2.gz	RHOAKWLYLYZYQP-HZPDHXFCSA-N	2	2	377.286	2.645	10	0		GFAELP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000252802122	553150372	/nfs/dbraw/zinc/15/03/72/553150372.db2.gz	RHOAKWLYLYZYQP-HZPDHXFCSA-N	2	2	377.286	2.645	10	0		GFAELP
Cc1cc(CNc2nc(-c3ccc(C(N)=O)cc3)nc3c2CC[NH2+]C3)c[nH+]c1C	ZINC000071768025	211060518	/nfs/dbraw/zinc/06/05/18/211060518.db2.gz	LNSTTXVVUJOQLE-UHFFFAOYSA-N	2	2	388.475	2.512	10	0		GFAELP
Cc1nc(N2CC[NH+](C[C@@H](O)C(C)C)CC2)c(Cc2cccc(F)c2)c(C)[nH+]1	ZINC000036340169	570625264	/nfs/dbraw/zinc/62/52/64/570625264.db2.gz	XYGMEVZGOQDLSY-OAQYLSRUSA-N	2	2	386.515	2.962	10	0		GFAELP
C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc(Br)c2)C[C@H]1n1cc[nH+]c1	ZINC000245575095	553093175	/nfs/dbraw/zinc/09/31/75/553093175.db2.gz	HNDINCZFWNYUIL-QGPMSJSTSA-N	2	2	394.313	2.968	10	0		GFAELP
C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc(Br)c2)C[C@H]1n1cc[nH+]c1	ZINC000245575095	553093177	/nfs/dbraw/zinc/09/31/77/553093177.db2.gz	HNDINCZFWNYUIL-QGPMSJSTSA-N	2	2	394.313	2.968	10	0		GFAELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C(N)=O)c1ccc(Br)cc1	ZINC000245953434	553100471	/nfs/dbraw/zinc/10/04/71/553100471.db2.gz	PYVOXDRSOJZWEF-JKSUJKDBSA-N	2	2	377.286	2.645	10	0		GFAELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C(N)=O)c1ccc(Br)cc1	ZINC000245953434	553100473	/nfs/dbraw/zinc/10/04/73/553100473.db2.gz	PYVOXDRSOJZWEF-JKSUJKDBSA-N	2	2	377.286	2.645	10	0		GFAELP
COCC[N@H+](C)CCC[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1	ZINC000186107201	552379532	/nfs/dbraw/zinc/37/95/32/552379532.db2.gz	ONAVSJUSYOXTBO-SFHVURJKSA-N	2	2	393.329	2.886	10	0		GFAELP
COCC[N@@H+](C)CCC[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1	ZINC000186107201	552379533	/nfs/dbraw/zinc/37/95/33/552379533.db2.gz	ONAVSJUSYOXTBO-SFHVURJKSA-N	2	2	393.329	2.886	10	0		GFAELP
CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(Cc2noc(C[NH3+])n2)CC1	ZINC000261605793	553153962	/nfs/dbraw/zinc/15/39/62/553153962.db2.gz	BDMGRLXLHZHSNR-HNNXBMFYSA-N	2	2	394.317	2.560	10	0		GFAELP
C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc(Br)c2)C[C@@H]1n1cc[nH+]c1	ZINC000179481223	552194344	/nfs/dbraw/zinc/19/43/44/552194344.db2.gz	HNDINCZFWNYUIL-HFTRVMKXSA-N	2	2	394.313	2.968	10	0		GFAELP
C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc(Br)c2)C[C@@H]1n1cc[nH+]c1	ZINC000179481223	552194347	/nfs/dbraw/zinc/19/43/47/552194347.db2.gz	HNDINCZFWNYUIL-HFTRVMKXSA-N	2	2	394.313	2.968	10	0		GFAELP
COc1ccc(F)c(C[N@@H+]2CCOc3ccc([C@@](C)(O)C[NH+](C)C)cc3C2)c1	ZINC000011815470	221128096	/nfs/dbraw/zinc/12/80/96/221128096.db2.gz	HHTMRTJEFZHZNM-QFIPXVFZSA-N	2	2	388.483	2.998	10	0		GFAELP
COc1ccc(F)c(C[N@H+]2CCOc3ccc([C@@](C)(O)C[NH+](C)C)cc3C2)c1	ZINC000011815470	221128100	/nfs/dbraw/zinc/12/81/00/221128100.db2.gz	HHTMRTJEFZHZNM-QFIPXVFZSA-N	2	2	388.483	2.998	10	0		GFAELP
Cc1c[nH]c(C[N@@H+](C)Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)n1	ZINC000011663256	212078123	/nfs/dbraw/zinc/07/81/23/212078123.db2.gz	HESPDLDXVFOGSY-FQEVSTJZSA-N	2	2	386.540	2.966	10	0		GFAELP
Cc1c[nH]c(C[N@H+](C)Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)n1	ZINC000011663256	212078125	/nfs/dbraw/zinc/07/81/25/212078125.db2.gz	HESPDLDXVFOGSY-FQEVSTJZSA-N	2	2	386.540	2.966	10	0		GFAELP
C[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1	ZINC000181865395	552269898	/nfs/dbraw/zinc/26/98/98/552269898.db2.gz	XVYJPYGGPILKMI-ZDUSSCGKSA-N	2	2	388.339	2.871	10	0		GFAELP
C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCO3)C1	ZINC000095504344	222336855	/nfs/dbraw/zinc/33/68/55/222336855.db2.gz	UFYULJINAQOWOU-LJQANCHMSA-N	2	2	382.508	2.790	10	0		GFAELP
C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2noc3c2CCCC3)C1	ZINC000095511388	222342576	/nfs/dbraw/zinc/34/25/76/222342576.db2.gz	YKQPQJMRVUNBIA-INIZCTEOSA-N	2	2	385.512	2.721	10	0		GFAELP
C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(I)cc1	ZINC000151329114	551411549	/nfs/dbraw/zinc/41/15/49/551411549.db2.gz	WHRWLXVHXPBQGQ-CZUORRHYSA-N	2	2	388.293	2.789	10	0		GFAELP
C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1Br	ZINC000175537425	552123946	/nfs/dbraw/zinc/12/39/46/552123946.db2.gz	DZXOPCABDDPVMS-CQSZACIVSA-N	2	2	397.361	2.835	10	0		GFAELP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C(N)=O)c1ccc(Br)cc1	ZINC000245953428	553099521	/nfs/dbraw/zinc/09/95/21/553099521.db2.gz	PYVOXDRSOJZWEF-HZPDHXFCSA-N	2	2	377.286	2.645	10	0		GFAELP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C(N)=O)c1ccc(Br)cc1	ZINC000245953428	553099525	/nfs/dbraw/zinc/09/95/25/553099525.db2.gz	PYVOXDRSOJZWEF-HZPDHXFCSA-N	2	2	377.286	2.645	10	0		GFAELP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C(N)=O)c1ccc(Br)cc1	ZINC000154561002	551478064	/nfs/dbraw/zinc/47/80/64/551478064.db2.gz	PYVOXDRSOJZWEF-CVEARBPZSA-N	2	2	377.286	2.645	10	0		GFAELP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C(N)=O)c1ccc(Br)cc1	ZINC000154561002	551478065	/nfs/dbraw/zinc/47/80/65/551478065.db2.gz	PYVOXDRSOJZWEF-CVEARBPZSA-N	2	2	377.286	2.645	10	0		GFAELP
C[N@H+](C[C@@H](O)COc1ccccc1C[NH2+]CCc1c[nH]c[nH+]1)C1CCCCC1	ZINC000011935574	221138423	/nfs/dbraw/zinc/13/84/23/221138423.db2.gz	GQEITRZCGSXUMW-OAQYLSRUSA-N	3	2	386.540	2.746	10	0		GFAELP
C[N@@H+](C[C@@H](O)COc1ccccc1C[NH2+]CCc1c[nH]c[nH+]1)C1CCCCC1	ZINC000011935574	221138424	/nfs/dbraw/zinc/13/84/24/221138424.db2.gz	GQEITRZCGSXUMW-OAQYLSRUSA-N	3	2	386.540	2.746	10	0		GFAELP
C[N@H+](C[C@@H](O)COc1ccccc1C[NH2+]CCc1c[nH+]c[nH]1)C1CCCCC1	ZINC000011935574	221138428	/nfs/dbraw/zinc/13/84/28/221138428.db2.gz	GQEITRZCGSXUMW-OAQYLSRUSA-N	3	2	386.540	2.746	10	0		GFAELP
C[N@@H+](C[C@@H](O)COc1ccccc1C[NH2+]CCc1c[nH+]c[nH]1)C1CCCCC1	ZINC000011935574	221138429	/nfs/dbraw/zinc/13/84/29/221138429.db2.gz	GQEITRZCGSXUMW-OAQYLSRUSA-N	3	2	386.540	2.746	10	0		GFAELP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1	ZINC000247023703	553117271	/nfs/dbraw/zinc/11/72/71/553117271.db2.gz	LXXXWWWDUHDSHH-IAGOWNOFSA-N	2	2	394.313	2.858	10	0		GFAELP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(Br)cc1	ZINC000247023703	553117275	/nfs/dbraw/zinc/11/72/75/553117275.db2.gz	LXXXWWWDUHDSHH-IAGOWNOFSA-N	2	2	394.313	2.858	10	0		GFAELP
C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CCC(=O)NCCCn1cc[nH+]c1	ZINC000011789512	204352447	/nfs/dbraw/zinc/35/24/47/204352447.db2.gz	PRMFMKMYMDGSKC-FCHUYYIVSA-N	3	2	397.567	2.622	10	0		GFAELP
C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CCC(=O)NCCCn1cc[nH+]c1	ZINC000011789512	204352450	/nfs/dbraw/zinc/35/24/50/204352450.db2.gz	PRMFMKMYMDGSKC-FCHUYYIVSA-N	3	2	397.567	2.622	10	0		GFAELP
C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CCC(=O)NCCCn1ccnc1	ZINC000011789512	204352455	/nfs/dbraw/zinc/35/24/55/204352455.db2.gz	PRMFMKMYMDGSKC-FCHUYYIVSA-N	2	2	397.567	2.622	10	0		GFAELP
C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CCC(=O)NCCCn1ccnc1	ZINC000011789512	204352460	/nfs/dbraw/zinc/35/24/60/204352460.db2.gz	PRMFMKMYMDGSKC-FCHUYYIVSA-N	2	2	397.567	2.622	10	0		GFAELP
CC[C@@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CC[N@@H+]1CCOC	ZINC000120915608	551222496	/nfs/dbraw/zinc/22/24/96/551222496.db2.gz	YDJFXIHEYSMYGX-OAHLLOKOSA-N	2	2	381.318	2.639	10	0		GFAELP
CC[C@@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CC[N@H+]1CCOC	ZINC000120915608	551222497	/nfs/dbraw/zinc/22/24/97/551222497.db2.gz	YDJFXIHEYSMYGX-OAHLLOKOSA-N	2	2	381.318	2.639	10	0		GFAELP
CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(Cc2noc(C[NH3+])n2)CC1	ZINC000261605796	553154126	/nfs/dbraw/zinc/15/41/26/553154126.db2.gz	BDMGRLXLHZHSNR-OAHLLOKOSA-N	2	2	394.317	2.560	10	0		GFAELP
C[N@H+](Cc1cncc(Br)c1)C1CC[NH+](CCn2cccn2)CC1	ZINC000170942247	551643631	/nfs/dbraw/zinc/64/36/31/551643631.db2.gz	JGMFAQJSIPMNKC-UHFFFAOYSA-N	2	2	378.318	2.637	10	0		GFAELP
C[N@@H+](Cc1cncc(Br)c1)C1CC[NH+](CCn2cccn2)CC1	ZINC000170942247	551643633	/nfs/dbraw/zinc/64/36/33/551643633.db2.gz	JGMFAQJSIPMNKC-UHFFFAOYSA-N	2	2	378.318	2.637	10	0		GFAELP
COCC[N@H+](C)CCC[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1	ZINC000186107227	552379562	/nfs/dbraw/zinc/37/95/62/552379562.db2.gz	ONAVSJUSYOXTBO-GOSISDBHSA-N	2	2	393.329	2.886	10	0		GFAELP
COCC[N@@H+](C)CCC[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1	ZINC000186107227	552379563	/nfs/dbraw/zinc/37/95/63/552379563.db2.gz	ONAVSJUSYOXTBO-GOSISDBHSA-N	2	2	393.329	2.886	10	0		GFAELP
Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)NCc3[nH]cc[nH+]3)CC2)CC1	ZINC000071774520	205296743	/nfs/dbraw/zinc/29/67/43/205296743.db2.gz	CCGXYSZWJLRPBZ-UHFFFAOYSA-N	3	2	395.551	2.711	10	0		GFAELP
COc1ccc(F)c(C[N@@H+]2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)c1	ZINC000011815472	221127427	/nfs/dbraw/zinc/12/74/27/221127427.db2.gz	HHTMRTJEFZHZNM-JOCHJYFZSA-N	2	2	388.483	2.998	10	0		GFAELP
COc1ccc(F)c(C[N@H+]2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)c1	ZINC000011815472	221127431	/nfs/dbraw/zinc/12/74/31/221127431.db2.gz	HHTMRTJEFZHZNM-JOCHJYFZSA-N	2	2	388.483	2.998	10	0		GFAELP
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)COc1cccc(Br)c1	ZINC000246495935	553108512	/nfs/dbraw/zinc/10/85/12/553108512.db2.gz	PQAHCVQTKMTRHS-IXDOHACOSA-N	2	2	383.330	2.747	10	0		GFAELP
CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)COc1cccc(Br)c1	ZINC000246495935	553108515	/nfs/dbraw/zinc/10/85/15/553108515.db2.gz	PQAHCVQTKMTRHS-IXDOHACOSA-N	2	2	383.330	2.747	10	0		GFAELP
CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1cccc(Br)c1	ZINC000246495935	553108518	/nfs/dbraw/zinc/10/85/18/553108518.db2.gz	PQAHCVQTKMTRHS-IXDOHACOSA-N	2	2	383.330	2.747	10	0		GFAELP
CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COc1cccc(Br)c1	ZINC000246495935	553108520	/nfs/dbraw/zinc/10/85/20/553108520.db2.gz	PQAHCVQTKMTRHS-IXDOHACOSA-N	2	2	383.330	2.747	10	0		GFAELP
C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(I)cc1	ZINC000151328931	551411585	/nfs/dbraw/zinc/41/15/85/551411585.db2.gz	WHRWLXVHXPBQGQ-BBRMVZONSA-N	2	2	388.293	2.789	10	0		GFAELP
CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cn2)C1	ZINC000106214536	655105009	/nfs/dbraw/zinc/10/50/09/655105009.db2.gz	UXJTXYIFDVPBAM-CQSZACIVSA-N	2	2	392.301	2.879	10	0		GFAELP
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1	ZINC000106214536	655105010	/nfs/dbraw/zinc/10/50/10/655105010.db2.gz	UXJTXYIFDVPBAM-CQSZACIVSA-N	2	2	392.301	2.879	10	0		GFAELP
COC(=O)CC[C@H]1C[N@H+](Cc2c[nH]c3ccccc23)CC[C@H]1[NH+]1CCOCC1	ZINC000014993873	570870251	/nfs/dbraw/zinc/87/02/51/570870251.db2.gz	NWHKNKFHAKGGTE-LAUBAEHRSA-N	2	2	385.508	2.644	10	0		GFAELP
COC(=O)CC[C@H]1C[N@@H+](Cc2c[nH]c3ccccc23)CC[C@H]1[NH+]1CCOCC1	ZINC000014993873	570870253	/nfs/dbraw/zinc/87/02/53/570870253.db2.gz	NWHKNKFHAKGGTE-LAUBAEHRSA-N	2	2	385.508	2.644	10	0		GFAELP
C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2noc3c2CCCC3)C1	ZINC000095511387	571082173	/nfs/dbraw/zinc/08/21/73/571082173.db2.gz	YKQPQJMRVUNBIA-MRXNPFEDSA-N	2	2	385.512	2.721	10	0		GFAELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C(N)=O)c1ccc(Br)cc1	ZINC000154560887	551477956	/nfs/dbraw/zinc/47/79/56/551477956.db2.gz	PYVOXDRSOJZWEF-HOTGVXAUSA-N	2	2	377.286	2.645	10	0		GFAELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C(N)=O)c1ccc(Br)cc1	ZINC000154560887	551477959	/nfs/dbraw/zinc/47/79/59/551477959.db2.gz	PYVOXDRSOJZWEF-HOTGVXAUSA-N	2	2	377.286	2.645	10	0		GFAELP
Cn1cc[nH+]c1CNC(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1	ZINC000012306097	570638601	/nfs/dbraw/zinc/63/86/01/570638601.db2.gz	MSLHFYCDBURRQT-UHFFFAOYSA-N	2	2	393.491	2.793	10	0		GFAELP
C[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1	ZINC000135335238	551387192	/nfs/dbraw/zinc/38/71/92/551387192.db2.gz	NWLFRSIOGCHUQW-DLBZAZTESA-N	2	2	380.330	2.749	10	0		GFAELP
C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc3c(c2)CCO3)C1	ZINC000095504345	208205290	/nfs/dbraw/zinc/20/52/90/208205290.db2.gz	UFYULJINAQOWOU-IBGZPJMESA-N	2	2	382.508	2.790	10	0		GFAELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc(Br)c1	ZINC000178305827	552168487	/nfs/dbraw/zinc/16/84/87/552168487.db2.gz	TXBWXEFXUJWCKA-IRXDYDNUSA-N	2	2	394.313	2.858	10	0		GFAELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1	ZINC000178319397	552169056	/nfs/dbraw/zinc/16/90/56/552169056.db2.gz	LXXXWWWDUHDSHH-IRXDYDNUSA-N	2	2	394.313	2.858	10	0		GFAELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(Br)cc1	ZINC000178319397	552169060	/nfs/dbraw/zinc/16/90/60/552169060.db2.gz	LXXXWWWDUHDSHH-IRXDYDNUSA-N	2	2	394.313	2.858	10	0		GFAELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1	ZINC000247023690	553117513	/nfs/dbraw/zinc/11/75/13/553117513.db2.gz	LXXXWWWDUHDSHH-DLBZAZTESA-N	2	2	394.313	2.858	10	0		GFAELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(Br)cc1	ZINC000247023690	553117514	/nfs/dbraw/zinc/11/75/14/553117514.db2.gz	LXXXWWWDUHDSHH-DLBZAZTESA-N	2	2	394.313	2.858	10	0		GFAELP
C[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1	ZINC000135335259	551387445	/nfs/dbraw/zinc/38/74/45/551387445.db2.gz	NWLFRSIOGCHUQW-SJORKVTESA-N	2	2	380.330	2.749	10	0		GFAELP
C[C@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1cccc(-n2cc[nH+]c2)c1	ZINC000180657549	552232387	/nfs/dbraw/zinc/23/23/87/552232387.db2.gz	MKMOVCGAJULBNU-ZDUSSCGKSA-N	2	2	376.507	2.724	10	0		GFAELP
C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc(Br)c2)C[C@@H]1n1cc[nH+]c1	ZINC000245575090	553093696	/nfs/dbraw/zinc/09/36/96/553093696.db2.gz	HNDINCZFWNYUIL-KYJSFNMBSA-N	2	2	394.313	2.968	10	0		GFAELP
C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc(Br)c2)C[C@@H]1n1cc[nH+]c1	ZINC000245575090	553093698	/nfs/dbraw/zinc/09/36/98/553093698.db2.gz	HNDINCZFWNYUIL-KYJSFNMBSA-N	2	2	394.313	2.968	10	0		GFAELP
Cc1nc(N2CC[NH+](C[C@H](O)C(C)C)CC2)c(Cc2cccc(F)c2)c(C)[nH+]1	ZINC000036340168	570625306	/nfs/dbraw/zinc/62/53/06/570625306.db2.gz	XYGMEVZGOQDLSY-NRFANRHFSA-N	2	2	386.515	2.962	10	0		GFAELP
CCOc1ccc2nc(N3CCC([NH2+]CCn4cc[nH+]c4)CC3)nc(C)c2c1	ZINC000011880572	209891943	/nfs/dbraw/zinc/89/19/43/209891943.db2.gz	DFGNKNRSAOKETG-UHFFFAOYSA-N	2	2	380.496	2.792	10	0		GFAELP
C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(I)cc1	ZINC000151328991	551411526	/nfs/dbraw/zinc/41/15/26/551411526.db2.gz	WHRWLXVHXPBQGQ-CJNGLKHVSA-N	2	2	388.293	2.789	10	0		GFAELP
C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1Br	ZINC000175537405	552123877	/nfs/dbraw/zinc/12/38/77/552123877.db2.gz	DZXOPCABDDPVMS-AWEZNQCLSA-N	2	2	397.361	2.835	10	0		GFAELP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc(Br)c1	ZINC000178305844	552168625	/nfs/dbraw/zinc/16/86/25/552168625.db2.gz	TXBWXEFXUJWCKA-SJORKVTESA-N	2	2	394.313	2.858	10	0		GFAELP
CCOCC[N@@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C[C@H]1C	ZINC000245729485	553096466	/nfs/dbraw/zinc/09/64/66/553096466.db2.gz	JJVSSJVHVINLCE-CQSZACIVSA-N	2	2	381.318	2.639	10	0		GFAELP
CCOCC[N@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C[C@H]1C	ZINC000245729485	553096469	/nfs/dbraw/zinc/09/64/69/553096469.db2.gz	JJVSSJVHVINLCE-CQSZACIVSA-N	2	2	381.318	2.639	10	0		GFAELP
Cc1nc(-n2cccn2)c(C)c(NC2CC[NH+](CC3(O)CCCCC3)CC2)[nH+]1	ZINC000089547977	211181352	/nfs/dbraw/zinc/18/13/52/211181352.db2.gz	LGCSONNEYBEVQG-UHFFFAOYSA-N	2	2	384.528	2.851	10	0		GFAELP
O[C@@H](COc1cccc(Br)c1)C[NH+]1CCC(n2cc[nH+]c2)CC1	ZINC000171942850	551666840	/nfs/dbraw/zinc/66/68/40/551666840.db2.gz	BFJYEAYWFFFXIC-MRXNPFEDSA-N	2	2	380.286	2.722	10	0		GFAELP
C[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1	ZINC000181865409	552269978	/nfs/dbraw/zinc/26/99/78/552269978.db2.gz	XVYJPYGGPILKMI-CYBMUJFWSA-N	2	2	388.339	2.871	10	0		GFAELP
COc1cc(C[NH2+]Cc2csc(C)n2)ccc1OC[C@@H](O)C[NH+]1CCCC1	ZINC000012373528	570413653	/nfs/dbraw/zinc/41/36/53/570413653.db2.gz	BVLIVHLOVCBMHT-SFHVURJKSA-N	2	2	391.537	2.585	10	0		GFAELP
O=C(C[N@H+]1CCC[C@@H](C(F)(F)F)C1)N1CC[NH+](Cc2cccs2)CC1	ZINC000170717227	551638103	/nfs/dbraw/zinc/63/81/03/551638103.db2.gz	WKKBYUHALAPAQV-CQSZACIVSA-N	2	2	375.460	2.667	10	0		GFAELP
O=C(C[N@@H+]1CCC[C@@H](C(F)(F)F)C1)N1CC[NH+](Cc2cccs2)CC1	ZINC000170717227	551638104	/nfs/dbraw/zinc/63/81/04/551638104.db2.gz	WKKBYUHALAPAQV-CQSZACIVSA-N	2	2	375.460	2.667	10	0		GFAELP
Cn1nc(Br)c2c1nc[nH+]c2NCc1ccc(C[NH+](C)C)c(F)c1	ZINC000301889095	563414610	/nfs/dbraw/zinc/41/46/10/563414610.db2.gz	QIXLDCIOMPUNSP-UHFFFAOYSA-N	2	2	393.264	2.939	10	0		GFAELP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1	ZINC000178319412	552169074	/nfs/dbraw/zinc/16/90/74/552169074.db2.gz	LXXXWWWDUHDSHH-SJORKVTESA-N	2	2	394.313	2.858	10	0		GFAELP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(Br)cc1	ZINC000178319412	552169076	/nfs/dbraw/zinc/16/90/76/552169076.db2.gz	LXXXWWWDUHDSHH-SJORKVTESA-N	2	2	394.313	2.858	10	0		GFAELP
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)COc1cccc(Br)c1	ZINC000177350576	552153738	/nfs/dbraw/zinc/15/37/38/552153738.db2.gz	PQAHCVQTKMTRHS-IKGGRYGDSA-N	2	2	383.330	2.747	10	0		GFAELP
CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)COc1cccc(Br)c1	ZINC000177350576	552153741	/nfs/dbraw/zinc/15/37/41/552153741.db2.gz	PQAHCVQTKMTRHS-IKGGRYGDSA-N	2	2	383.330	2.747	10	0		GFAELP
CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COc1cccc(Br)c1	ZINC000177350576	552153742	/nfs/dbraw/zinc/15/37/42/552153742.db2.gz	PQAHCVQTKMTRHS-IKGGRYGDSA-N	2	2	383.330	2.747	10	0		GFAELP
CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COc1cccc(Br)c1	ZINC000177350576	552153745	/nfs/dbraw/zinc/15/37/45/552153745.db2.gz	PQAHCVQTKMTRHS-IKGGRYGDSA-N	2	2	383.330	2.747	10	0		GFAELP
Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1	ZINC000012305313	221177862	/nfs/dbraw/zinc/17/78/62/221177862.db2.gz	ODSCXPJNOHUZCE-GOSISDBHSA-N	2	2	381.524	2.674	10	0		GFAELP
Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1	ZINC000012305313	221177866	/nfs/dbraw/zinc/17/78/66/221177866.db2.gz	ODSCXPJNOHUZCE-GOSISDBHSA-N	2	2	381.524	2.674	10	0		GFAELP
CC[C@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CC[N@@H+]1CCOC	ZINC000120915773	551222741	/nfs/dbraw/zinc/22/27/41/551222741.db2.gz	YDJFXIHEYSMYGX-HNNXBMFYSA-N	2	2	381.318	2.639	10	0		GFAELP
CC[C@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CC[N@H+]1CCOC	ZINC000120915773	551222744	/nfs/dbraw/zinc/22/27/44/551222744.db2.gz	YDJFXIHEYSMYGX-HNNXBMFYSA-N	2	2	381.318	2.639	10	0		GFAELP
C[NH+](C)[C@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1	ZINC000135335277	551387040	/nfs/dbraw/zinc/38/70/40/551387040.db2.gz	NWLFRSIOGCHUQW-IRXDYDNUSA-N	2	2	380.330	2.749	10	0		GFAELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000252802123	553150156	/nfs/dbraw/zinc/15/01/56/553150156.db2.gz	RHOAKWLYLYZYQP-JKSUJKDBSA-N	2	2	377.286	2.645	10	0		GFAELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000252802123	553150159	/nfs/dbraw/zinc/15/01/59/553150159.db2.gz	RHOAKWLYLYZYQP-JKSUJKDBSA-N	2	2	377.286	2.645	10	0		GFAELP