smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[N@H+](C)CCC[NH2+]Cc1nccs1	ZINC000218092209	372059754	/nfs/dbraw/zinc/05/97/54/372059754.db2.gz	YNIJSPCZCAMFBT-UHFFFAOYSA-N	2	2	227.377	1.963	20	70		BDIDLP
CC(C)[N@@H+](C)CCC[NH2+]Cc1nccs1	ZINC000218092209	372059758	/nfs/dbraw/zinc/05/97/58/372059758.db2.gz	YNIJSPCZCAMFBT-UHFFFAOYSA-N	2	2	227.377	1.963	20	70		BDIDLP
CCC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1	ZINC000161298186	384479478	/nfs/dbraw/zinc/47/94/78/384479478.db2.gz	KUQAYXRUHSBOHV-UHFFFAOYSA-N	2	2	219.332	1.922	20	70		BDIDLP
CC(C)[NH2+]C1CC[NH+](CCOCC2CC2)CC1	ZINC000160496695	388070996	/nfs/dbraw/zinc/07/09/96/388070996.db2.gz	RFHUODBUDCIFOX-UHFFFAOYSA-N	2	2	240.391	1.875	20	70		BDIDLP
CC[NH+]1CCC([N@H+](C)CCn2cc[nH+]c2)CC1	ZINC000161350826	411294120	/nfs/dbraw/zinc/29/41/20/411294120.db2.gz	QRVNJSLWOCDDSU-UHFFFAOYSA-N	3	2	236.363	1.299	20	70		BDIDLP
CC[NH+]1CCC([N@@H+](C)CCn2cc[nH+]c2)CC1	ZINC000161350826	411294122	/nfs/dbraw/zinc/29/41/22/411294122.db2.gz	QRVNJSLWOCDDSU-UHFFFAOYSA-N	3	2	236.363	1.299	20	70		BDIDLP
CC[NH2+]CC[NH2+]Cc1cc(F)ccc1C	ZINC000161314541	170115311	/nfs/dbraw/zinc/11/53/11/170115311.db2.gz	QMWICJGIQZKGSK-UHFFFAOYSA-N	2	2	210.296	1.833	20	70		BDIDLP
C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cscn1	ZINC000161138475	323149045	/nfs/dbraw/zinc/14/90/45/323149045.db2.gz	NKOGPKNINSCCFW-SECBINFHSA-N	2	2	222.317	1.690	20	70		BDIDLP
CC[C@@](C)(O)C[NH+]1CCC(n2cc[nH+]c2)CC1	ZINC000161456161	349453198	/nfs/dbraw/zinc/45/31/98/349453198.db2.gz	UAVXLAUJNNJQRT-CYBMUJFWSA-N	2	2	237.347	1.681	20	70		BDIDLP
Cc1cnccc1C[NH2+][C@H]1CCC[NH2+]C1	ZINC000160595472	346399479	/nfs/dbraw/zinc/39/94/79/346399479.db2.gz	AGZWYJPBCBJUBB-LBPRGKRZSA-N	2	2	205.305	1.232	20	70		BDIDLP
CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCOC1	ZINC000161169235	349382399	/nfs/dbraw/zinc/38/23/99/349382399.db2.gz	UHKLYHBGMVKXRD-BFHYXJOUSA-N	2	2	240.391	1.875	20	70		BDIDLP
CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCOC1	ZINC000161169235	349382401	/nfs/dbraw/zinc/38/24/01/349382401.db2.gz	UHKLYHBGMVKXRD-BFHYXJOUSA-N	2	2	240.391	1.875	20	70		BDIDLP
Cc1ncc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c(C)n1	ZINC000161456452	180172592	/nfs/dbraw/zinc/17/25/92/180172592.db2.gz	IIBVWDKECCLBTF-LLVKDONJSA-N	2	2	248.374	1.838	20	70		BDIDLP
CCO[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1	ZINC000159841200	538879654	/nfs/dbraw/zinc/87/96/54/538879654.db2.gz	VOZCRQISVAZMCB-GFCCVEGCSA-N	2	2	223.320	1.384	20	70		BDIDLP
CCO[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1	ZINC000159841200	538879658	/nfs/dbraw/zinc/87/96/58/538879658.db2.gz	VOZCRQISVAZMCB-GFCCVEGCSA-N	2	2	223.320	1.384	20	70		BDIDLP
C[NH2+]CC[NH2+]Cc1ccc(C)c(OC)c1	ZINC000161235221	173356091	/nfs/dbraw/zinc/35/60/91/173356091.db2.gz	PDUNFOVIOBDUNH-UHFFFAOYSA-N	2	2	208.305	1.313	20	70		BDIDLP
C[C@@H]1CC[C@H](C[NH2+]CC[NH2+]C(C)(C)C)O1	ZINC000161463347	176227059	/nfs/dbraw/zinc/22/70/59/176227059.db2.gz	IHUSPFLEYBBVAY-GHMZBOCLSA-N	2	2	214.353	1.532	20	70		BDIDLP
CC1CC([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1	ZINC000160857033	358969397	/nfs/dbraw/zinc/96/93/97/358969397.db2.gz	LPYNNIKNPRRQKL-RSJDFQLWSA-N	2	2	208.349	2.000	20	70		BDIDLP
CC1CC([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1	ZINC000160857033	358969403	/nfs/dbraw/zinc/96/94/03/358969403.db2.gz	LPYNNIKNPRRQKL-RSJDFQLWSA-N	2	2	208.349	2.000	20	70		BDIDLP
CC1CC([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1	ZINC000160856638	358969594	/nfs/dbraw/zinc/96/95/94/358969594.db2.gz	LPYNNIKNPRRQKL-POSLAHMBSA-N	2	2	208.349	2.000	20	70		BDIDLP
CC1CC([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1	ZINC000160856638	358969599	/nfs/dbraw/zinc/96/95/99/358969599.db2.gz	LPYNNIKNPRRQKL-POSLAHMBSA-N	2	2	208.349	2.000	20	70		BDIDLP
Cc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)no1	ZINC000217183359	398088288	/nfs/dbraw/zinc/08/82/88/398088288.db2.gz	YMGJCLQUIYNMTA-SCZZXKLOSA-N	2	2	209.293	1.295	20	70		BDIDLP
Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)no1	ZINC000217183359	398088290	/nfs/dbraw/zinc/08/82/90/398088290.db2.gz	YMGJCLQUIYNMTA-SCZZXKLOSA-N	2	2	209.293	1.295	20	70		BDIDLP
C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cscn1	ZINC000161145606	398344816	/nfs/dbraw/zinc/34/48/16/398344816.db2.gz	KYJSALBUSZJJHZ-VIFPVBQESA-N	2	2	225.361	1.888	20	70		BDIDLP
C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H](C)S1	ZINC000159852983	323050828	/nfs/dbraw/zinc/05/08/28/323050828.db2.gz	KRXFUGZWCOKQDR-PHIMTYICSA-N	2	2	225.361	1.709	20	70		BDIDLP
C[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H](C)S1	ZINC000159852983	323050829	/nfs/dbraw/zinc/05/08/29/323050829.db2.gz	KRXFUGZWCOKQDR-PHIMTYICSA-N	2	2	225.361	1.709	20	70		BDIDLP
CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](COC)C1CC1	ZINC000161215067	349400225	/nfs/dbraw/zinc/40/02/25/349400225.db2.gz	OBIDWPBQPSQJSH-KGLIPLIRSA-N	2	2	240.391	1.875	20	70		BDIDLP
CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](COC)C1CC1	ZINC000161215067	349400227	/nfs/dbraw/zinc/40/02/27/349400227.db2.gz	OBIDWPBQPSQJSH-KGLIPLIRSA-N	2	2	240.391	1.875	20	70		BDIDLP
Cn1cc(C[N@H+](C)CC[C@@H]2CCC[NH+]2C)cn1	ZINC000161304838	349419479	/nfs/dbraw/zinc/41/94/79/349419479.db2.gz	QGMYTPQBXXEEON-ZDUSSCGKSA-N	2	2	236.363	1.336	20	70		BDIDLP
Cn1cc(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cn1	ZINC000161304838	349419481	/nfs/dbraw/zinc/41/94/81/349419481.db2.gz	QGMYTPQBXXEEON-ZDUSSCGKSA-N	2	2	236.363	1.336	20	70		BDIDLP
Cn1cc(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)cn1	ZINC000161304838	349419484	/nfs/dbraw/zinc/41/94/84/349419484.db2.gz	QGMYTPQBXXEEON-ZDUSSCGKSA-N	2	2	236.363	1.336	20	70		BDIDLP
Cn1cc(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)cn1	ZINC000161304838	349419485	/nfs/dbraw/zinc/41/94/85/349419485.db2.gz	QGMYTPQBXXEEON-ZDUSSCGKSA-N	2	2	236.363	1.336	20	70		BDIDLP
Cc1nc(C[N@H+](C)CCn2cc[nH+]c2)cs1	ZINC000159779226	388031749	/nfs/dbraw/zinc/03/17/49/388031749.db2.gz	PMJDNLFJVDNPPV-UHFFFAOYSA-N	2	2	236.344	1.780	20	70		BDIDLP
Cc1nc(C[N@@H+](C)CCn2cc[nH+]c2)cs1	ZINC000159779226	388031754	/nfs/dbraw/zinc/03/17/54/388031754.db2.gz	PMJDNLFJVDNPPV-UHFFFAOYSA-N	2	2	236.344	1.780	20	70		BDIDLP
CC[NH2+]CC[NH2+]Cc1ccc(CC)cc1	ZINC000161296755	170115549	/nfs/dbraw/zinc/11/55/49/170115549.db2.gz	XIHPHTNRHWUKFO-UHFFFAOYSA-N	2	2	206.333	1.948	20	70		BDIDLP
COc1cccnc1NCCn1cc[nH+]c1	ZINC000160216743	323064088	/nfs/dbraw/zinc/06/40/88/323064088.db2.gz	VBYZIHLKVXTBMA-UHFFFAOYSA-N	2	2	218.260	1.399	20	70		BDIDLP
COc1ccc[nH+]c1NCCn1cc[nH+]c1	ZINC000160216743	323064089	/nfs/dbraw/zinc/06/40/89/323064089.db2.gz	VBYZIHLKVXTBMA-UHFFFAOYSA-N	2	2	218.260	1.399	20	70		BDIDLP
CCC[C@H](C)C[NH2+]CC[NH2+]CCOC	ZINC000161507154	136277354	/nfs/dbraw/zinc/27/73/54/136277354.db2.gz	ALSKSYKUZLMWSA-NSHDSACASA-N	2	2	202.342	1.248	20	70		BDIDLP
Cc1nc(N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc[nH+]1	ZINC000160425967	187301383	/nfs/dbraw/zinc/30/13/83/187301383.db2.gz	RJIMKIQSMSROJJ-JQWIXIFHSA-N	2	2	234.347	1.561	20	70		BDIDLP
Cc1nc(N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc[nH+]1	ZINC000160425967	187301385	/nfs/dbraw/zinc/30/13/85/187301385.db2.gz	RJIMKIQSMSROJJ-JQWIXIFHSA-N	2	2	234.347	1.561	20	70		BDIDLP
C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CC(C)(C)O1	ZINC000161465482	369098400	/nfs/dbraw/zinc/09/84/00/369098400.db2.gz	WLPBGGOHQRAMFM-OLZOCXBDSA-N	2	2	240.391	1.970	20	70		BDIDLP
C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CC(C)(C)O1	ZINC000161465482	369098404	/nfs/dbraw/zinc/09/84/04/369098404.db2.gz	WLPBGGOHQRAMFM-OLZOCXBDSA-N	2	2	240.391	1.970	20	70		BDIDLP
C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CC(C)(C)O1	ZINC000161465482	369098409	/nfs/dbraw/zinc/09/84/09/369098409.db2.gz	WLPBGGOHQRAMFM-OLZOCXBDSA-N	2	2	240.391	1.970	20	70		BDIDLP
C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CC(C)(C)O1	ZINC000161465482	369098415	/nfs/dbraw/zinc/09/84/15/369098415.db2.gz	WLPBGGOHQRAMFM-OLZOCXBDSA-N	2	2	240.391	1.970	20	70		BDIDLP
CCC[NH2+]CC[NH2+]Cc1ccc(F)cc1	ZINC000161332464	169259537	/nfs/dbraw/zinc/25/95/37/169259537.db2.gz	IXOQGVBSOPOHBA-UHFFFAOYSA-N	2	2	210.296	1.915	20	70		BDIDLP
C[C@@H]1C[C@H]([NH2+][C@@H]2CC2(C)C)C[N@@H+]1C1CC1	ZINC000160853917	361331053	/nfs/dbraw/zinc/33/10/53/361331053.db2.gz	OXFNASPAKCNEQK-JFGNBEQYSA-N	2	2	208.349	2.000	20	70		BDIDLP
C[C@@H]1C[C@H]([NH2+][C@@H]2CC2(C)C)C[N@H+]1C1CC1	ZINC000160853917	361331059	/nfs/dbraw/zinc/33/10/59/361331059.db2.gz	OXFNASPAKCNEQK-JFGNBEQYSA-N	2	2	208.349	2.000	20	70		BDIDLP
COc1ccc[nH+]c1N[C@H](C)CC[NH+](C)C	ZINC000160220638	541356029	/nfs/dbraw/zinc/35/60/29/541356029.db2.gz	ZWJWMQFVVQVSHF-SNVBAGLBSA-N	2	2	223.320	1.842	20	70		BDIDLP
c1cn(CCN2CCC[C@@H]([NH+]3CCCC3)C2)c[nH+]1	ZINC000159755569	345511327	/nfs/dbraw/zinc/51/13/27/345511327.db2.gz	DJKXCHHDMWDGDN-CQSZACIVSA-N	2	2	248.374	1.443	20	70		BDIDLP
Cn1cc(C[N@H+](C)CC[C@H]2CCC[NH+]2C)cn1	ZINC000161304921	349419401	/nfs/dbraw/zinc/41/94/01/349419401.db2.gz	QGMYTPQBXXEEON-CYBMUJFWSA-N	2	2	236.363	1.336	20	70		BDIDLP
Cn1cc(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)cn1	ZINC000161304921	349419403	/nfs/dbraw/zinc/41/94/03/349419403.db2.gz	QGMYTPQBXXEEON-CYBMUJFWSA-N	2	2	236.363	1.336	20	70		BDIDLP
Cn1cc(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)cn1	ZINC000161304921	349419404	/nfs/dbraw/zinc/41/94/04/349419404.db2.gz	QGMYTPQBXXEEON-CYBMUJFWSA-N	2	2	236.363	1.336	20	70		BDIDLP
Cn1cc(C[NH+](C)CC[C@H]2CCC[N@H+]2C)cn1	ZINC000161304921	349419406	/nfs/dbraw/zinc/41/94/06/349419406.db2.gz	QGMYTPQBXXEEON-CYBMUJFWSA-N	2	2	236.363	1.336	20	70		BDIDLP
COCC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1	ZINC000161216569	384476785	/nfs/dbraw/zinc/47/67/85/384476785.db2.gz	ICQIYJDTDPUHAV-UHFFFAOYSA-N	2	2	235.331	1.158	20	70		BDIDLP
c1cn(CC[N@@H+]2CCCSCC2)c[nH+]1	ZINC000161482880	384493345	/nfs/dbraw/zinc/49/33/45/384493345.db2.gz	JKRPELUXLCNUPP-UHFFFAOYSA-N	2	2	211.334	1.322	20	70		BDIDLP
c1cn(CC[N@H+]2CCCSCC2)c[nH+]1	ZINC000161482880	384493349	/nfs/dbraw/zinc/49/33/49/384493349.db2.gz	JKRPELUXLCNUPP-UHFFFAOYSA-N	2	2	211.334	1.322	20	70		BDIDLP
Cc1ncc([C@H](C)[NH2+]C2CC[NH+](C)CC2)c(C)n1	ZINC000161456573	180174288	/nfs/dbraw/zinc/17/42/88/180174288.db2.gz	IIBVWDKECCLBTF-NSHDSACASA-N	2	2	248.374	1.838	20	70		BDIDLP
C[C@H](C[NH2+]CC1(C)COC1)[N@H+](C)C1CC1	ZINC000217543314	134248458	/nfs/dbraw/zinc/24/84/58/134248458.db2.gz	DHGJIRTWXJHYSM-SNVBAGLBSA-N	2	2	212.337	1.095	20	70		BDIDLP
C[C@H](C[NH2+]CC1(C)COC1)[N@@H+](C)C1CC1	ZINC000217543314	134248459	/nfs/dbraw/zinc/24/84/59/134248459.db2.gz	DHGJIRTWXJHYSM-SNVBAGLBSA-N	2	2	212.337	1.095	20	70		BDIDLP
C[C@H]1C[N@H+](CCn2cc[nH+]c2)CC(C)(C)O1	ZINC000161466086	177255352	/nfs/dbraw/zinc/25/53/52/177255352.db2.gz	WYZSQRMVXCAGJK-NSHDSACASA-N	2	2	223.320	1.382	20	70		BDIDLP
C[C@H]1C[N@@H+](CCn2cc[nH+]c2)CC(C)(C)O1	ZINC000161466086	177255353	/nfs/dbraw/zinc/25/53/53/177255353.db2.gz	WYZSQRMVXCAGJK-NSHDSACASA-N	2	2	223.320	1.382	20	70		BDIDLP
CC[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000161450268	398282269	/nfs/dbraw/zinc/28/22/69/398282269.db2.gz	HGFZWJYZCSMVLW-TZMCWYRMSA-N	3	2	239.407	1.401	20	70		BDIDLP
CC[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000161450268	398282272	/nfs/dbraw/zinc/28/22/72/398282272.db2.gz	HGFZWJYZCSMVLW-TZMCWYRMSA-N	3	2	239.407	1.401	20	70		BDIDLP
CC[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000161450122	398282674	/nfs/dbraw/zinc/28/26/74/398282674.db2.gz	HGFZWJYZCSMVLW-OCCSQVGLSA-N	3	2	239.407	1.401	20	70		BDIDLP
CC[N@H+]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000161450122	398282677	/nfs/dbraw/zinc/28/26/77/398282677.db2.gz	HGFZWJYZCSMVLW-OCCSQVGLSA-N	3	2	239.407	1.401	20	70		BDIDLP
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC(OC)OC	ZINC000161474709	346216438	/nfs/dbraw/zinc/21/64/38/346216438.db2.gz	PRSKNJYEURIVPM-NEPJUHHUSA-N	2	2	242.363	1.164	20	70		BDIDLP
CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC(OC)OC	ZINC000161474709	346216441	/nfs/dbraw/zinc/21/64/41/346216441.db2.gz	PRSKNJYEURIVPM-NEPJUHHUSA-N	2	2	242.363	1.164	20	70		BDIDLP
CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(OC)OC	ZINC000161474709	346216444	/nfs/dbraw/zinc/21/64/44/346216444.db2.gz	PRSKNJYEURIVPM-NEPJUHHUSA-N	2	2	242.363	1.164	20	70		BDIDLP
CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(OC)OC	ZINC000161474709	346216446	/nfs/dbraw/zinc/21/64/46/346216446.db2.gz	PRSKNJYEURIVPM-NEPJUHHUSA-N	2	2	242.363	1.164	20	70		BDIDLP
CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](COC)C1CC1	ZINC000161215185	349400189	/nfs/dbraw/zinc/40/01/89/349400189.db2.gz	OBIDWPBQPSQJSH-KBPBESRZSA-N	2	2	240.391	1.875	20	70		BDIDLP
CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](COC)C1CC1	ZINC000161215185	349400191	/nfs/dbraw/zinc/40/01/91/349400191.db2.gz	OBIDWPBQPSQJSH-KBPBESRZSA-N	2	2	240.391	1.875	20	70		BDIDLP
CC1(C)C[N@H+](CCC[NH+]2CCCCC2)CCO1	ZINC000161217462	349400959	/nfs/dbraw/zinc/40/09/59/349400959.db2.gz	PFNHPMTYICNQFV-UHFFFAOYSA-N	2	2	240.391	1.973	20	70		BDIDLP
CC1(C)C[N@@H+](CCC[NH+]2CCCCC2)CCO1	ZINC000161217462	349400960	/nfs/dbraw/zinc/40/09/60/349400960.db2.gz	PFNHPMTYICNQFV-UHFFFAOYSA-N	2	2	240.391	1.973	20	70		BDIDLP
Cc1[nH+]ccn1CCCCN1CC[NH+](C)CC1	ZINC000161244938	349415006	/nfs/dbraw/zinc/41/50/06/349415006.db2.gz	LFULNXMYIPACNA-UHFFFAOYSA-N	2	2	236.363	1.219	20	70		BDIDLP
CC[NH+](CC)CCSCCn1cc[nH+]c1	ZINC000160151992	384388374	/nfs/dbraw/zinc/38/83/74/384388374.db2.gz	QDAHGSKJROFQHS-UHFFFAOYSA-N	2	2	227.377	1.958	20	70		BDIDLP
C[NH+]1CCC([NH+]2CCC(F)CC2)CC1	ZINC000218491384	386650540	/nfs/dbraw/zinc/65/05/40/386650540.db2.gz	PDLIPSMEEJWFKV-UHFFFAOYSA-N	2	2	200.301	1.515	20	70		BDIDLP
C[C@@H]1C[N@H+](CCn2cc[nH+]c2)CC(C)(C)O1	ZINC000161465965	176296710	/nfs/dbraw/zinc/29/67/10/176296710.db2.gz	WYZSQRMVXCAGJK-LLVKDONJSA-N	2	2	223.320	1.382	20	70		BDIDLP
C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CC(C)(C)O1	ZINC000161465965	176296711	/nfs/dbraw/zinc/29/67/11/176296711.db2.gz	WYZSQRMVXCAGJK-LLVKDONJSA-N	2	2	223.320	1.382	20	70		BDIDLP
Cc1ccc(C[N@@H+]2CCO[C@@H](C[NH3+])C2)s1	ZINC000159504339	361241239	/nfs/dbraw/zinc/24/12/39/361241239.db2.gz	MWNHQSJKXSBDCU-JTQLQIEISA-N	2	2	226.345	1.216	20	70		BDIDLP
Cc1ccc(C[N@H+]2CCO[C@@H](C[NH3+])C2)s1	ZINC000159504339	361241242	/nfs/dbraw/zinc/24/12/42/361241242.db2.gz	MWNHQSJKXSBDCU-JTQLQIEISA-N	2	2	226.345	1.216	20	70		BDIDLP
C[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H]([NH3+])C1	ZINC000217498518	134247062	/nfs/dbraw/zinc/24/70/62/134247062.db2.gz	BOGJLTOKQCOSOX-CMPLNLGQSA-N	2	2	205.305	1.566	20	70		BDIDLP
C[C@@H](c1cccnc1)[N@H+]1CCC[C@@H]([NH3+])C1	ZINC000217498518	134247063	/nfs/dbraw/zinc/24/70/63/134247063.db2.gz	BOGJLTOKQCOSOX-CMPLNLGQSA-N	2	2	205.305	1.566	20	70		BDIDLP
CC[NH2+]CC[NH2+]Cc1ccc(C)c(F)c1	ZINC000161298958	170115744	/nfs/dbraw/zinc/11/57/44/170115744.db2.gz	DMWGLHQRRYEELV-UHFFFAOYSA-N	2	2	210.296	1.833	20	70		BDIDLP
C[C@@H]1CC[C@@H](C[NH2+]CC[NH2+]C(C)(C)C)O1	ZINC000161463626	176206256	/nfs/dbraw/zinc/20/62/56/176206256.db2.gz	IHUSPFLEYBBVAY-MNOVXSKESA-N	2	2	214.353	1.532	20	70		BDIDLP
CCC[NH2+]CC[NH2+]Cc1cccnc1C	ZINC000161358646	169259516	/nfs/dbraw/zinc/25/95/16/169259516.db2.gz	XQFYEUZJWMNCKJ-UHFFFAOYSA-N	2	2	207.321	1.479	20	70		BDIDLP
C[NH2+]CC[NH2+]Cc1coc2ccccc12	ZINC000161250145	173356184	/nfs/dbraw/zinc/35/61/84/173356184.db2.gz	KEBIJGRQPGEYFC-UHFFFAOYSA-N	2	2	204.273	1.742	20	70		BDIDLP
COCC[N@H+](CCn1cc[nH+]c1)Cc1ccco1	ZINC000159742678	174297169	/nfs/dbraw/zinc/29/71/69/174297169.db2.gz	IOIMSPOPMIWDIP-UHFFFAOYSA-N	2	2	249.314	1.625	20	70		BDIDLP
COCC[N@@H+](CCn1cc[nH+]c1)Cc1ccco1	ZINC000159742678	174297171	/nfs/dbraw/zinc/29/71/71/174297171.db2.gz	IOIMSPOPMIWDIP-UHFFFAOYSA-N	2	2	249.314	1.625	20	70		BDIDLP
CC[C@](C)(O)C[NH+]1CCC(n2cc[nH+]c2)CC1	ZINC000161456073	349453522	/nfs/dbraw/zinc/45/35/22/349453522.db2.gz	UAVXLAUJNNJQRT-ZDUSSCGKSA-N	2	2	237.347	1.681	20	70		BDIDLP
C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cscn1	ZINC000161145724	398344767	/nfs/dbraw/zinc/34/47/67/398344767.db2.gz	KYJSALBUSZJJHZ-SECBINFHSA-N	2	2	225.361	1.888	20	70		BDIDLP
Cc1ccsc1C[N@@H+]1CCO[C@@H](C[NH3+])C1	ZINC000159504934	361241922	/nfs/dbraw/zinc/24/19/22/361241922.db2.gz	YCHKQPOXCSWRDM-JTQLQIEISA-N	2	2	226.345	1.216	20	70		BDIDLP
Cc1ccsc1C[N@H+]1CCO[C@@H](C[NH3+])C1	ZINC000159504934	361241926	/nfs/dbraw/zinc/24/19/26/361241926.db2.gz	YCHKQPOXCSWRDM-JTQLQIEISA-N	2	2	226.345	1.216	20	70		BDIDLP
CC[N@H+](CC[NH2+][C@H]1CS[C@@H](C)C1)C1CC1	ZINC000217416246	411348871	/nfs/dbraw/zinc/34/88/71/411348871.db2.gz	ZUHCIQCMZRVPPD-WDEREUQCSA-N	2	2	228.405	1.954	20	70		BDIDLP
CC[N@@H+](CC[NH2+][C@H]1CS[C@@H](C)C1)C1CC1	ZINC000217416246	411348876	/nfs/dbraw/zinc/34/88/76/411348876.db2.gz	ZUHCIQCMZRVPPD-WDEREUQCSA-N	2	2	228.405	1.954	20	70		BDIDLP
Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)on1	ZINC000218611148	357962835	/nfs/dbraw/zinc/96/28/35/357962835.db2.gz	NVJMGTXCHAFANL-NXEZZACHSA-N	2	2	209.293	1.295	20	70		BDIDLP
Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)on1	ZINC000218611148	357962839	/nfs/dbraw/zinc/96/28/39/357962839.db2.gz	NVJMGTXCHAFANL-NXEZZACHSA-N	2	2	209.293	1.295	20	70		BDIDLP
C[C@@H]1C[C@@H]([NH2+][C@@H]2CC2(C)C)C[N@@H+]1C1CC1	ZINC000160854194	361331240	/nfs/dbraw/zinc/33/12/40/361331240.db2.gz	OXFNASPAKCNEQK-CKYFFXLPSA-N	2	2	208.349	2.000	20	70		BDIDLP
C[C@@H]1C[C@@H]([NH2+][C@@H]2CC2(C)C)C[N@H+]1C1CC1	ZINC000160854194	361331247	/nfs/dbraw/zinc/33/12/47/361331247.db2.gz	OXFNASPAKCNEQK-CKYFFXLPSA-N	2	2	208.349	2.000	20	70		BDIDLP
COC[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1	ZINC000159821542	384359426	/nfs/dbraw/zinc/35/94/26/384359426.db2.gz	FFXHMJWWBPXLTR-GFCCVEGCSA-N	2	2	223.320	1.242	20	70		BDIDLP
COC[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1	ZINC000159821542	384359435	/nfs/dbraw/zinc/35/94/35/384359435.db2.gz	FFXHMJWWBPXLTR-GFCCVEGCSA-N	2	2	223.320	1.242	20	70		BDIDLP
c1cn(CCn2c[nH+]c3c2CCCC3)c[nH+]1	ZINC000160722834	384430040	/nfs/dbraw/zinc/43/00/40/384430040.db2.gz	KYJRWHFWTZGIRU-UHFFFAOYSA-N	2	2	216.288	1.659	20	70		BDIDLP
C[NH2+]CC[NH2+]Cc1ccc(Cl)c(C)c1	ZINC000161238143	173356318	/nfs/dbraw/zinc/35/63/18/173356318.db2.gz	ZKJKSEUOVGWGSZ-UHFFFAOYSA-N	2	2	212.724	1.957	20	70		BDIDLP
CC[C@H]1C[N@H+](CCC[NH+]2CCCCC2)CCO1	ZINC000161269029	349413263	/nfs/dbraw/zinc/41/32/63/349413263.db2.gz	JSBSESAPOLBVRA-AWEZNQCLSA-N	2	2	240.391	1.973	20	70		BDIDLP
CC[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)CCO1	ZINC000161269029	349413264	/nfs/dbraw/zinc/41/32/64/349413264.db2.gz	JSBSESAPOLBVRA-AWEZNQCLSA-N	2	2	240.391	1.973	20	70		BDIDLP
Cc1ccc(C[N@@H+]2CCO[C@H](C[NH3+])C2)s1	ZINC000159504198	361241496	/nfs/dbraw/zinc/24/14/96/361241496.db2.gz	MWNHQSJKXSBDCU-SNVBAGLBSA-N	2	2	226.345	1.216	20	70		BDIDLP
Cc1ccc(C[N@H+]2CCO[C@H](C[NH3+])C2)s1	ZINC000159504198	361241500	/nfs/dbraw/zinc/24/15/00/361241500.db2.gz	MWNHQSJKXSBDCU-SNVBAGLBSA-N	2	2	226.345	1.216	20	70		BDIDLP
C[N@H+](CCn1cc[nH+]c1)C[C@@H]1CCCCO1	ZINC000161448674	384490887	/nfs/dbraw/zinc/49/08/87/384490887.db2.gz	NRMXFTCAIJVBMD-LBPRGKRZSA-N	2	2	223.320	1.384	20	70		BDIDLP
C[N@@H+](CCn1cc[nH+]c1)C[C@@H]1CCCCO1	ZINC000161448674	384490892	/nfs/dbraw/zinc/49/08/92/384490892.db2.gz	NRMXFTCAIJVBMD-LBPRGKRZSA-N	2	2	223.320	1.384	20	70		BDIDLP
C[N@@H+]1CCC[C@H]1CC[NH+]1CCOC(C)(C)C1	ZINC000161401978	349429602	/nfs/dbraw/zinc/42/96/02/349429602.db2.gz	XWSDVUGNMGZJHU-LBPRGKRZSA-N	2	2	226.364	1.582	20	70		BDIDLP
C[N@H+]1CCC[C@H]1CC[NH+]1CCOC(C)(C)C1	ZINC000161401978	349429604	/nfs/dbraw/zinc/42/96/04/349429604.db2.gz	XWSDVUGNMGZJHU-LBPRGKRZSA-N	2	2	226.364	1.582	20	70		BDIDLP
C[NH+]1CCC[C@H]1CC[N@@H+]1CCOC(C)(C)C1	ZINC000161401978	349429607	/nfs/dbraw/zinc/42/96/07/349429607.db2.gz	XWSDVUGNMGZJHU-LBPRGKRZSA-N	2	2	226.364	1.582	20	70		BDIDLP
C[NH+]1CCC[C@H]1CC[N@H+]1CCOC(C)(C)C1	ZINC000161401978	349429611	/nfs/dbraw/zinc/42/96/11/349429611.db2.gz	XWSDVUGNMGZJHU-LBPRGKRZSA-N	2	2	226.364	1.582	20	70		BDIDLP
Cc1nc(N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc[nH+]1	ZINC000160425825	188334608	/nfs/dbraw/zinc/33/46/08/188334608.db2.gz	RJIMKIQSMSROJJ-CMPLNLGQSA-N	2	2	234.347	1.561	20	70		BDIDLP
Cc1nc(N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc[nH+]1	ZINC000160425825	188334610	/nfs/dbraw/zinc/33/46/10/188334610.db2.gz	RJIMKIQSMSROJJ-CMPLNLGQSA-N	2	2	234.347	1.561	20	70		BDIDLP
C[C@H](c1cccnc1)[N@@H+]1CCC[C@@H]([NH3+])C1	ZINC000217498592	134246839	/nfs/dbraw/zinc/24/68/39/134246839.db2.gz	BOGJLTOKQCOSOX-ZYHUDNBSSA-N	2	2	205.305	1.566	20	70		BDIDLP
C[C@H](c1cccnc1)[N@H+]1CCC[C@@H]([NH3+])C1	ZINC000217498592	134246840	/nfs/dbraw/zinc/24/68/40/134246840.db2.gz	BOGJLTOKQCOSOX-ZYHUDNBSSA-N	2	2	205.305	1.566	20	70		BDIDLP
C[NH2+]CC[NH2+]Cc1ccc(C)c(Cl)c1	ZINC000161257943	173355689	/nfs/dbraw/zinc/35/56/89/173355689.db2.gz	NKJIXNJAJNTQQV-UHFFFAOYSA-N	2	2	212.724	1.957	20	70		BDIDLP
c1cn(CCN2CC[NH+](C3CCCC3)CC2)c[nH+]1	ZINC000161373278	349435046	/nfs/dbraw/zinc/43/50/46/349435046.db2.gz	SLELBXJYCOFNDF-UHFFFAOYSA-N	2	2	248.374	1.443	20	70		BDIDLP
C[N@@H+]1CCC[C@@H]1CC[NH+]1CCOC(C)(C)C1	ZINC000161402136	349429516	/nfs/dbraw/zinc/42/95/16/349429516.db2.gz	XWSDVUGNMGZJHU-GFCCVEGCSA-N	2	2	226.364	1.582	20	70		BDIDLP
C[N@H+]1CCC[C@@H]1CC[NH+]1CCOC(C)(C)C1	ZINC000161402136	349429520	/nfs/dbraw/zinc/42/95/20/349429520.db2.gz	XWSDVUGNMGZJHU-GFCCVEGCSA-N	2	2	226.364	1.582	20	70		BDIDLP
C[NH+]1CCC[C@@H]1CC[N@@H+]1CCOC(C)(C)C1	ZINC000161402136	349429523	/nfs/dbraw/zinc/42/95/23/349429523.db2.gz	XWSDVUGNMGZJHU-GFCCVEGCSA-N	2	2	226.364	1.582	20	70		BDIDLP
C[NH+]1CCC[C@@H]1CC[N@H+]1CCOC(C)(C)C1	ZINC000161402136	349429525	/nfs/dbraw/zinc/42/95/25/349429525.db2.gz	XWSDVUGNMGZJHU-GFCCVEGCSA-N	2	2	226.364	1.582	20	70		BDIDLP
CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1	ZINC000159842398	388033385	/nfs/dbraw/zinc/03/33/85/388033385.db2.gz	YYBHZIBZWILUFQ-CHWSQXEVSA-N	2	2	237.347	1.509	20	70		BDIDLP
CC[C@@H](O)[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1	ZINC000159842398	388033387	/nfs/dbraw/zinc/03/33/87/388033387.db2.gz	YYBHZIBZWILUFQ-CHWSQXEVSA-N	2	2	237.347	1.509	20	70		BDIDLP
c1cn(CC[N@H+](C[C@H]2CCOC2)C2CC2)c[nH+]1	ZINC000159744984	388029651	/nfs/dbraw/zinc/02/96/51/388029651.db2.gz	DMCBJOWANWHHIQ-GFCCVEGCSA-N	2	2	235.331	1.384	20	70		BDIDLP
c1cn(CC[N@@H+](C[C@H]2CCOC2)C2CC2)c[nH+]1	ZINC000159744984	388029653	/nfs/dbraw/zinc/02/96/53/388029653.db2.gz	DMCBJOWANWHHIQ-GFCCVEGCSA-N	2	2	235.331	1.384	20	70		BDIDLP
CC[N@@H+](CC[NH2+]CC1(C)COC1)C1CC1	ZINC000217420706	134247125	/nfs/dbraw/zinc/24/71/25/134247125.db2.gz	FHYAMWZAWYLELR-UHFFFAOYSA-N	2	2	212.337	1.097	20	70		BDIDLP
CC[N@H+](CC[NH2+]CC1(C)COC1)C1CC1	ZINC000217420706	134247124	/nfs/dbraw/zinc/24/71/24/134247124.db2.gz	FHYAMWZAWYLELR-UHFFFAOYSA-N	2	2	212.337	1.097	20	70		BDIDLP
CC[N@H+](CC[NH2+][C@@H]1CS[C@@H](C)C1)C1CC1	ZINC000217416188	411348079	/nfs/dbraw/zinc/34/80/79/411348079.db2.gz	ZUHCIQCMZRVPPD-QWRGUYRKSA-N	2	2	228.405	1.954	20	70		BDIDLP
CC[N@@H+](CC[NH2+][C@@H]1CS[C@@H](C)C1)C1CC1	ZINC000217416188	411348084	/nfs/dbraw/zinc/34/80/84/411348084.db2.gz	ZUHCIQCMZRVPPD-QWRGUYRKSA-N	2	2	228.405	1.954	20	70		BDIDLP
C[C@@H]1C[NH+](CCn2cc[nH+]c2)C[C@@H](C)S1	ZINC000159853228	323050823	/nfs/dbraw/zinc/05/08/23/323050823.db2.gz	KRXFUGZWCOKQDR-GHMZBOCLSA-N	2	2	225.361	1.709	20	70		BDIDLP
CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCOC1	ZINC000161169359	349382511	/nfs/dbraw/zinc/38/25/11/349382511.db2.gz	UHKLYHBGMVKXRD-MJBXVCDLSA-N	2	2	240.391	1.875	20	70		BDIDLP
CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCOC1	ZINC000161169359	349382514	/nfs/dbraw/zinc/38/25/14/349382514.db2.gz	UHKLYHBGMVKXRD-MJBXVCDLSA-N	2	2	240.391	1.875	20	70		BDIDLP
CC[C@@H]1COCC[N@@H+]1CCC[NH+]1CCCCC1	ZINC000161134070	384825694	/nfs/dbraw/zinc/82/56/94/384825694.db2.gz	CRPGXUNGSUOWDX-CQSZACIVSA-N	2	2	240.391	1.973	20	70		BDIDLP
CC[C@@H]1COCC[N@H+]1CCC[NH+]1CCCCC1	ZINC000161134070	384825699	/nfs/dbraw/zinc/82/56/99/384825699.db2.gz	CRPGXUNGSUOWDX-CQSZACIVSA-N	2	2	240.391	1.973	20	70		BDIDLP
Cc1[nH+]cn(CCn2cc[nH+]c2C)c1C	ZINC000160703385	180287194	/nfs/dbraw/zinc/28/71/94/180287194.db2.gz	DDHLAKFQMWYAEA-UHFFFAOYSA-N	2	2	204.277	1.705	20	70		BDIDLP
C[C@@H](C[NH2+]CC1(C)COC1)[N@H+](C)C1CC1	ZINC000217543233	134248106	/nfs/dbraw/zinc/24/81/06/134248106.db2.gz	DHGJIRTWXJHYSM-JTQLQIEISA-N	2	2	212.337	1.095	20	70		BDIDLP
C[C@@H](C[NH2+]CC1(C)COC1)[N@@H+](C)C1CC1	ZINC000217543233	134248107	/nfs/dbraw/zinc/24/81/07/134248107.db2.gz	DHGJIRTWXJHYSM-JTQLQIEISA-N	2	2	212.337	1.095	20	70		BDIDLP
COc1ccc[nH+]c1N[C@@H](C)CC[NH+](C)C	ZINC000160220492	541355798	/nfs/dbraw/zinc/35/57/98/541355798.db2.gz	ZWJWMQFVVQVSHF-JTQLQIEISA-N	2	2	223.320	1.842	20	70		BDIDLP
Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)no1	ZINC000217183311	134229920	/nfs/dbraw/zinc/22/99/20/134229920.db2.gz	SZHYJVZZKDYQGP-KWQFWETISA-N	2	2	209.293	1.152	20	70		BDIDLP
Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)no1	ZINC000217183311	134229921	/nfs/dbraw/zinc/22/99/21/134229921.db2.gz	SZHYJVZZKDYQGP-KWQFWETISA-N	2	2	209.293	1.152	20	70		BDIDLP
CC[NH2+]CC[NH2+]Cc1ccc(F)c(F)c1	ZINC000161313313	170115469	/nfs/dbraw/zinc/11/54/69/170115469.db2.gz	JCQICEDRUONLEX-UHFFFAOYSA-N	2	2	214.259	1.664	20	70		BDIDLP
C[C@H]1C[NH+](CCn2cc[nH+]c2)C[C@H](C)S1	ZINC000159853121	323050845	/nfs/dbraw/zinc/05/08/45/323050845.db2.gz	KRXFUGZWCOKQDR-QWRGUYRKSA-N	2	2	225.361	1.709	20	70		BDIDLP
CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1	ZINC000159842139	388032700	/nfs/dbraw/zinc/03/27/00/388032700.db2.gz	YYBHZIBZWILUFQ-QWHCGFSZSA-N	2	2	237.347	1.509	20	70		BDIDLP
CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1	ZINC000159842139	388032705	/nfs/dbraw/zinc/03/27/05/388032705.db2.gz	YYBHZIBZWILUFQ-QWHCGFSZSA-N	2	2	237.347	1.509	20	70		BDIDLP
C[NH2+]CC[NH2+]Cc1ccc(SC)cc1	ZINC000161235087	173356179	/nfs/dbraw/zinc/35/61/79/173356179.db2.gz	XVODLZOLOULADC-UHFFFAOYSA-N	2	2	210.346	1.718	20	70		BDIDLP
Cc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)on1	ZINC000218611066	357962705	/nfs/dbraw/zinc/96/27/05/357962705.db2.gz	NVJMGTXCHAFANL-ZJUUUORDSA-N	2	2	209.293	1.295	20	70		BDIDLP
Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)on1	ZINC000218611066	357962708	/nfs/dbraw/zinc/96/27/08/357962708.db2.gz	NVJMGTXCHAFANL-ZJUUUORDSA-N	2	2	209.293	1.295	20	70		BDIDLP
C[N@H+](CCn1cc[nH+]c1)Cc1cscn1	ZINC000161459397	384489314	/nfs/dbraw/zinc/48/93/14/384489314.db2.gz	QUPYWBIXCNJGRG-UHFFFAOYSA-N	2	2	222.317	1.472	20	70		BDIDLP
C[N@@H+](CCn1cc[nH+]c1)Cc1cscn1	ZINC000161459397	384489319	/nfs/dbraw/zinc/48/93/19/384489319.db2.gz	QUPYWBIXCNJGRG-UHFFFAOYSA-N	2	2	222.317	1.472	20	70		BDIDLP
CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1	ZINC000159842032	388033630	/nfs/dbraw/zinc/03/36/30/388033630.db2.gz	YYBHZIBZWILUFQ-STQMWFEESA-N	2	2	237.347	1.509	20	70		BDIDLP
CC[C@H](O)[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1	ZINC000159842032	388033634	/nfs/dbraw/zinc/03/36/34/388033634.db2.gz	YYBHZIBZWILUFQ-STQMWFEESA-N	2	2	237.347	1.509	20	70		BDIDLP
CC[NH2+]CC[NH2+]Cc1cccc(OC)c1	ZINC000161290321	170115908	/nfs/dbraw/zinc/11/59/08/170115908.db2.gz	XFQFXIYYMDZXCR-UHFFFAOYSA-N	2	2	208.305	1.394	20	70		BDIDLP
C[NH2+]CC[NH2+]Cc1ccc(Br)cc1	ZINC000161264694	173356366	/nfs/dbraw/zinc/35/63/66/173356366.db2.gz	JXYUUSNSCGHBMU-UHFFFAOYSA-N	2	2	243.148	1.758	20	70		BDIDLP
Cn1c[nH+]cc1Cn1c[nH+]c2c1CCCC2	ZINC000160724869	362116012	/nfs/dbraw/zinc/11/60/12/362116012.db2.gz	XNEJPTFHZQGQMK-UHFFFAOYSA-N	2	2	216.288	1.544	20	70		BDIDLP
Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)on1	ZINC000218610733	134256763	/nfs/dbraw/zinc/25/67/63/134256763.db2.gz	ZPUCNKBFEWTXEU-KWQFWETISA-N	2	2	209.293	1.152	20	70		BDIDLP
Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)on1	ZINC000218610733	134256764	/nfs/dbraw/zinc/25/67/64/134256764.db2.gz	ZPUCNKBFEWTXEU-KWQFWETISA-N	2	2	209.293	1.152	20	70		BDIDLP
Cc1ccsc1C[N@@H+]1CCO[C@H](C[NH3+])C1	ZINC000159504804	361241935	/nfs/dbraw/zinc/24/19/35/361241935.db2.gz	YCHKQPOXCSWRDM-SNVBAGLBSA-N	2	2	226.345	1.216	20	70		BDIDLP
Cc1ccsc1C[N@H+]1CCO[C@H](C[NH3+])C1	ZINC000159504804	361241936	/nfs/dbraw/zinc/24/19/36/361241936.db2.gz	YCHKQPOXCSWRDM-SNVBAGLBSA-N	2	2	226.345	1.216	20	70		BDIDLP
Cc1cc(C[N@H+](C)CCn2cc[nH+]c2)no1	ZINC000159742980	384352130	/nfs/dbraw/zinc/35/21/30/384352130.db2.gz	QASHRCXBPDUANH-UHFFFAOYSA-N	2	2	220.276	1.312	20	70		BDIDLP
Cc1cc(C[N@@H+](C)CCn2cc[nH+]c2)no1	ZINC000159742980	384352135	/nfs/dbraw/zinc/35/21/35/384352135.db2.gz	QASHRCXBPDUANH-UHFFFAOYSA-N	2	2	220.276	1.312	20	70		BDIDLP
C[NH+](C)CCC[NH2+]Cc1cncc(F)c1	ZINC000160131700	388048069	/nfs/dbraw/zinc/04/80/69/388048069.db2.gz	KBAVCBPOSMCDIY-UHFFFAOYSA-N	2	2	211.284	1.262	20	70		BDIDLP
C[NH2+]CC[NH2+]Cc1ccc(OC)c(F)c1	ZINC000161281667	173356140	/nfs/dbraw/zinc/35/61/40/173356140.db2.gz	SRSQRCUFAGRRGZ-UHFFFAOYSA-N	2	2	212.268	1.143	20	70		BDIDLP
CC(C)C[C@H]([NH3+])C[N@@H+]1CCCO[C@@H](C)C1	ZINC000217652151	136278052	/nfs/dbraw/zinc/27/80/52/136278052.db2.gz	HLHKEUONNMQZHE-RYUDHWBXSA-N	2	2	214.353	1.471	20	70		BDIDLP
CC(C)C[C@H]([NH3+])C[N@H+]1CCCO[C@@H](C)C1	ZINC000217652151	136278053	/nfs/dbraw/zinc/27/80/53/136278053.db2.gz	HLHKEUONNMQZHE-RYUDHWBXSA-N	2	2	214.353	1.471	20	70		BDIDLP
COC[C@@H](C)[N@H+](C)C[C@@H]([NH3+])CC(C)C	ZINC000218672653	363130818	/nfs/dbraw/zinc/13/08/18/363130818.db2.gz	DMHAQBGDLDSILK-MNOVXSKESA-N	2	2	202.342	1.327	20	70		BDIDLP
COC[C@@H](C)[N@@H+](C)C[C@@H]([NH3+])CC(C)C	ZINC000218672653	363130824	/nfs/dbraw/zinc/13/08/24/363130824.db2.gz	DMHAQBGDLDSILK-MNOVXSKESA-N	2	2	202.342	1.327	20	70		BDIDLP
CSCC[N@H+](C)CC[NH2+]C(C)(C)C	ZINC000160068555	353253428	/nfs/dbraw/zinc/25/34/28/353253428.db2.gz	WLLMIEYJRTUIQL-UHFFFAOYSA-N	2	2	204.383	1.669	20	70		BDIDLP
CSCC[N@@H+](C)CC[NH2+]C(C)(C)C	ZINC000160068555	353253429	/nfs/dbraw/zinc/25/34/29/353253429.db2.gz	WLLMIEYJRTUIQL-UHFFFAOYSA-N	2	2	204.383	1.669	20	70		BDIDLP
C[NH2+]CC[NH2+]Cc1cccc(Br)c1	ZINC000161284538	173355598	/nfs/dbraw/zinc/35/55/98/173355598.db2.gz	OBHMNQJGBRJYER-UHFFFAOYSA-N	2	2	243.148	1.758	20	70		BDIDLP
CC[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)CCO1	ZINC000161268901	349413611	/nfs/dbraw/zinc/41/36/11/349413611.db2.gz	JSBSESAPOLBVRA-CQSZACIVSA-N	2	2	240.391	1.973	20	70		BDIDLP
CC[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)CCO1	ZINC000161268901	349413616	/nfs/dbraw/zinc/41/36/16/349413616.db2.gz	JSBSESAPOLBVRA-CQSZACIVSA-N	2	2	240.391	1.973	20	70		BDIDLP
Cc1cnccc1C[NH2+][C@@H]1CCC[NH2+]C1	ZINC000160595387	361360131	/nfs/dbraw/zinc/36/01/31/361360131.db2.gz	AGZWYJPBCBJUBB-GFCCVEGCSA-N	2	2	205.305	1.232	20	70		BDIDLP
c1cn(CC[N@H+](C[C@@H]2CCOC2)C2CC2)c[nH+]1	ZINC000159744839	388030014	/nfs/dbraw/zinc/03/00/14/388030014.db2.gz	DMCBJOWANWHHIQ-LBPRGKRZSA-N	2	2	235.331	1.384	20	70		BDIDLP
c1cn(CC[N@@H+](C[C@@H]2CCOC2)C2CC2)c[nH+]1	ZINC000159744839	388030016	/nfs/dbraw/zinc/03/00/16/388030016.db2.gz	DMCBJOWANWHHIQ-LBPRGKRZSA-N	2	2	235.331	1.384	20	70		BDIDLP
CSCC[N@H+](C)C[C@H]([NH3+])CC(C)C	ZINC000160069788	388044969	/nfs/dbraw/zinc/04/49/69/388044969.db2.gz	QSADQTCHFWHHAB-SNVBAGLBSA-N	2	2	204.383	1.655	20	70		BDIDLP
CSCC[N@@H+](C)C[C@H]([NH3+])CC(C)C	ZINC000160069788	388044973	/nfs/dbraw/zinc/04/49/73/388044973.db2.gz	QSADQTCHFWHHAB-SNVBAGLBSA-N	2	2	204.383	1.655	20	70		BDIDLP
C[C@H](c1ccncc1)[N@@H+]1CCC[C@@H]([NH3+])C1	ZINC000217498432	411433704	/nfs/dbraw/zinc/43/37/04/411433704.db2.gz	CTVYNFPXCDGTMV-ZYHUDNBSSA-N	2	2	205.305	1.566	20	70		BDIDLP
C[C@H](c1ccncc1)[N@H+]1CCC[C@@H]([NH3+])C1	ZINC000217498432	411433706	/nfs/dbraw/zinc/43/37/06/411433706.db2.gz	CTVYNFPXCDGTMV-ZYHUDNBSSA-N	2	2	205.305	1.566	20	70		BDIDLP
C[N@H+](Cc1cncs1)CC(C)(C)C[NH3+]	ZINC000159650922	388024918	/nfs/dbraw/zinc/02/49/18/388024918.db2.gz	IYTHCZWSIJUWGL-UHFFFAOYSA-N	2	2	213.350	1.560	20	70		BDIDLP
C[N@@H+](Cc1cncs1)CC(C)(C)C[NH3+]	ZINC000159650922	388024924	/nfs/dbraw/zinc/02/49/24/388024924.db2.gz	IYTHCZWSIJUWGL-UHFFFAOYSA-N	2	2	213.350	1.560	20	70		BDIDLP
Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)no1	ZINC000217183367	398088429	/nfs/dbraw/zinc/08/84/29/398088429.db2.gz	YMGJCLQUIYNMTA-PSASIEDQSA-N	2	2	209.293	1.295	20	70		BDIDLP
Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)no1	ZINC000217183367	398088433	/nfs/dbraw/zinc/08/84/33/398088433.db2.gz	YMGJCLQUIYNMTA-PSASIEDQSA-N	2	2	209.293	1.295	20	70		BDIDLP
C[C@H]1CC[C@@H](C[NH2+]CC[NH2+]C(C)(C)C)O1	ZINC000161463745	177190280	/nfs/dbraw/zinc/19/02/80/177190280.db2.gz	IHUSPFLEYBBVAY-QWRGUYRKSA-N	2	2	214.353	1.532	20	70		BDIDLP
CC(C)(C)[NH2+]CC[NH2+]Cc1cccnc1	ZINC000161457680	398282927	/nfs/dbraw/zinc/28/29/27/398282927.db2.gz	RRFXQAYBHPWJAF-UHFFFAOYSA-N	2	2	207.321	1.559	20	70		BDIDLP
CC1CC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1	ZINC000160856936	358969268	/nfs/dbraw/zinc/96/92/68/358969268.db2.gz	LPYNNIKNPRRQKL-RUJICJSRSA-N	2	2	208.349	2.000	20	70		BDIDLP
CC1CC([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1	ZINC000160856936	358969271	/nfs/dbraw/zinc/96/92/71/358969271.db2.gz	LPYNNIKNPRRQKL-RUJICJSRSA-N	2	2	208.349	2.000	20	70		BDIDLP
CSCC[N@H+](C)C[C@@H]([NH3+])CC(C)C	ZINC000160069659	388045051	/nfs/dbraw/zinc/04/50/51/388045051.db2.gz	QSADQTCHFWHHAB-JTQLQIEISA-N	2	2	204.383	1.655	20	70		BDIDLP
CSCC[N@@H+](C)C[C@@H]([NH3+])CC(C)C	ZINC000160069659	388045053	/nfs/dbraw/zinc/04/50/53/388045053.db2.gz	QSADQTCHFWHHAB-JTQLQIEISA-N	2	2	204.383	1.655	20	70		BDIDLP
C[C@H]1CC[C@H](C[NH2+]CC[NH2+]C(C)(C)C)O1	ZINC000161463486	177202473	/nfs/dbraw/zinc/20/24/73/177202473.db2.gz	IHUSPFLEYBBVAY-WDEREUQCSA-N	2	2	214.353	1.532	20	70		BDIDLP
COc1ccc[nH+]c1NC1CC[NH+](C)CC1	ZINC000159471204	322969798	/nfs/dbraw/zinc/96/97/98/322969798.db2.gz	YTNFWDKRBLENIR-UHFFFAOYSA-N	2	2	221.304	1.596	20	70		BDIDLP
CCc1nnc(C[N@H+](C)CCCn2cc[nH+]c2)[nH]1	ZINC000160152681	346442843	/nfs/dbraw/zinc/44/28/43/346442843.db2.gz	AGIYBLCVVYGTSZ-UHFFFAOYSA-N	2	2	248.334	1.086	20	70		BDIDLP
CCc1nnc(C[N@@H+](C)CCCn2cc[nH+]c2)[nH]1	ZINC000160152681	346442844	/nfs/dbraw/zinc/44/28/44/346442844.db2.gz	AGIYBLCVVYGTSZ-UHFFFAOYSA-N	2	2	248.334	1.086	20	70		BDIDLP
CC1CC([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1	ZINC000160856796	358969055	/nfs/dbraw/zinc/96/90/55/358969055.db2.gz	LPYNNIKNPRRQKL-ADPBJBESSA-N	2	2	208.349	2.000	20	70		BDIDLP
CC1CC([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1	ZINC000160856796	358969056	/nfs/dbraw/zinc/96/90/56/358969056.db2.gz	LPYNNIKNPRRQKL-ADPBJBESSA-N	2	2	208.349	2.000	20	70		BDIDLP
CC[C@H]1COCC[N@@H+]1CCC[NH+]1CCCCC1	ZINC000161134186	384824827	/nfs/dbraw/zinc/82/48/27/384824827.db2.gz	CRPGXUNGSUOWDX-AWEZNQCLSA-N	2	2	240.391	1.973	20	70		BDIDLP
CC[C@H]1COCC[N@H+]1CCC[NH+]1CCCCC1	ZINC000161134186	384824833	/nfs/dbraw/zinc/82/48/33/384824833.db2.gz	CRPGXUNGSUOWDX-AWEZNQCLSA-N	2	2	240.391	1.973	20	70		BDIDLP
CCOc1ccc(C[NH2+]CC[NH2+]C)cc1	ZINC000161252471	385606070	/nfs/dbraw/zinc/60/60/70/385606070.db2.gz	LICAJFYMVXLKDQ-UHFFFAOYSA-N	2	2	208.305	1.394	20	70		BDIDLP
CC[C@H](O)[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1	ZINC000159842283	388032768	/nfs/dbraw/zinc/03/27/68/388032768.db2.gz	YYBHZIBZWILUFQ-OLZOCXBDSA-N	2	2	237.347	1.509	20	70		BDIDLP
CC[C@H](O)[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1	ZINC000159842283	388032772	/nfs/dbraw/zinc/03/27/72/388032772.db2.gz	YYBHZIBZWILUFQ-OLZOCXBDSA-N	2	2	237.347	1.509	20	70		BDIDLP
C[NH2+]CC[NH2+]Cc1c(C)cc(C)cc1C	ZINC000161256610	173356207	/nfs/dbraw/zinc/35/62/07/173356207.db2.gz	RTXJUHWTGUUPLO-UHFFFAOYSA-N	2	2	206.333	1.921	20	70		BDIDLP
CCC[C@@H](C)C[NH2+]CC[NH2+]CCOC	ZINC000161507041	136277331	/nfs/dbraw/zinc/27/73/31/136277331.db2.gz	ALSKSYKUZLMWSA-LLVKDONJSA-N	2	2	202.342	1.248	20	70		BDIDLP
c1cn(CCN2CCC[C@H]([NH+]3CCCC3)C2)c[nH+]1	ZINC000159755428	345510724	/nfs/dbraw/zinc/51/07/24/345510724.db2.gz	DJKXCHHDMWDGDN-AWEZNQCLSA-N	2	2	248.374	1.443	20	70		BDIDLP
CCC[NH2+]CC[NH2+]Cc1cccc(F)c1	ZINC000161358231	169259152	/nfs/dbraw/zinc/25/91/52/169259152.db2.gz	SSIUUVKMBNLJOA-UHFFFAOYSA-N	2	2	210.296	1.915	20	70		BDIDLP
CCO[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1	ZINC000159841335	538879600	/nfs/dbraw/zinc/87/96/00/538879600.db2.gz	VOZCRQISVAZMCB-LBPRGKRZSA-N	2	2	223.320	1.384	20	70		BDIDLP
CCO[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1	ZINC000159841335	538879601	/nfs/dbraw/zinc/87/96/01/538879601.db2.gz	VOZCRQISVAZMCB-LBPRGKRZSA-N	2	2	223.320	1.384	20	70		BDIDLP
C[C@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CC(C)(C)O1	ZINC000161465594	369098077	/nfs/dbraw/zinc/09/80/77/369098077.db2.gz	WLPBGGOHQRAMFM-STQMWFEESA-N	2	2	240.391	1.970	20	70		BDIDLP
C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CC(C)(C)O1	ZINC000161465594	369098083	/nfs/dbraw/zinc/09/80/83/369098083.db2.gz	WLPBGGOHQRAMFM-STQMWFEESA-N	2	2	240.391	1.970	20	70		BDIDLP
C[C@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CC(C)(C)O1	ZINC000161465594	369098086	/nfs/dbraw/zinc/09/80/86/369098086.db2.gz	WLPBGGOHQRAMFM-STQMWFEESA-N	2	2	240.391	1.970	20	70		BDIDLP
C[C@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CC(C)(C)O1	ZINC000161465594	369098090	/nfs/dbraw/zinc/09/80/90/369098090.db2.gz	WLPBGGOHQRAMFM-STQMWFEESA-N	2	2	240.391	1.970	20	70		BDIDLP
COC[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1	ZINC000159821673	384360308	/nfs/dbraw/zinc/36/03/08/384360308.db2.gz	FFXHMJWWBPXLTR-LBPRGKRZSA-N	2	2	223.320	1.242	20	70		BDIDLP
COC[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1	ZINC000159821673	384360318	/nfs/dbraw/zinc/36/03/18/384360318.db2.gz	FFXHMJWWBPXLTR-LBPRGKRZSA-N	2	2	223.320	1.242	20	70		BDIDLP
C[N@H+](CCn1cc[nH+]c1)C[C@H]1CCCCO1	ZINC000161448803	384489610	/nfs/dbraw/zinc/48/96/10/384489610.db2.gz	NRMXFTCAIJVBMD-GFCCVEGCSA-N	2	2	223.320	1.384	20	70		BDIDLP
C[N@@H+](CCn1cc[nH+]c1)C[C@H]1CCCCO1	ZINC000161448803	384489616	/nfs/dbraw/zinc/48/96/16/384489616.db2.gz	NRMXFTCAIJVBMD-GFCCVEGCSA-N	2	2	223.320	1.384	20	70		BDIDLP
C[C@H]([NH2+]CCn1cc[nH+]c1)c1cscn1	ZINC000161138344	323149048	/nfs/dbraw/zinc/14/90/48/323149048.db2.gz	NKOGPKNINSCCFW-VIFPVBQESA-N	2	2	222.317	1.690	20	70		BDIDLP
CCC(CC)C[NH2+]CC[NH2+]CCOC	ZINC000161495905	349465369	/nfs/dbraw/zinc/46/53/69/349465369.db2.gz	MOOHVZQAYZOCGG-UHFFFAOYSA-N	2	2	202.342	1.248	20	70		BDIDLP
C[C@@H](c1ccncc1)[N@@H+]1CCC[C@@H]([NH3+])C1	ZINC000217498363	411433594	/nfs/dbraw/zinc/43/35/94/411433594.db2.gz	CTVYNFPXCDGTMV-CMPLNLGQSA-N	2	2	205.305	1.566	20	70		BDIDLP
C[C@@H](c1ccncc1)[N@H+]1CCC[C@@H]([NH3+])C1	ZINC000217498363	411433597	/nfs/dbraw/zinc/43/35/97/411433597.db2.gz	CTVYNFPXCDGTMV-CMPLNLGQSA-N	2	2	205.305	1.566	20	70		BDIDLP