smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)CCC[N@@H+](C)C[C@@H]1CCC[C@@H]1O	ZINC000159807739	323048944	/nfs/dbraw/zinc/04/89/44/323048944.db2.gz	YKKKWCJALZHIQK-RYUDHWBXSA-N	1	1	243.347	1.423	20	70		BDIDMO
CC1(C)COCC[N@@H+]1CCOCC1CC1	ZINC000159519452	345440106	/nfs/dbraw/zinc/44/01/06/345440106.db2.gz	VYIRPPDRUSCUFC-UHFFFAOYSA-N	1	1	213.321	1.524	20	70		BDIDMO
CC1(C)COCC[N@H+]1CCOCC1CC1	ZINC000159519452	345440109	/nfs/dbraw/zinc/44/01/09/345440109.db2.gz	VYIRPPDRUSCUFC-UHFFFAOYSA-N	1	1	213.321	1.524	20	70		BDIDMO
COC(=O)C[N@@H+](CCCOC(C)C)C(C)C	ZINC000159602748	345445951	/nfs/dbraw/zinc/44/59/51/345445951.db2.gz	GWPLENFZUAJSCS-UHFFFAOYSA-N	1	1	231.336	1.685	20	70		BDIDMO
CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1	ZINC000159663064	345462037	/nfs/dbraw/zinc/46/20/37/345462037.db2.gz	LXGQKESIQVKZLN-WOPDTQHZSA-N	1	1	240.347	1.012	20	70		BDIDMO
CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000159663064	345462039	/nfs/dbraw/zinc/46/20/39/345462039.db2.gz	LXGQKESIQVKZLN-WOPDTQHZSA-N	1	1	240.347	1.012	20	70		BDIDMO
CNC(=O)CC[N@H+]1CC[C@@H]2CCCC[C@@H]21	ZINC000159688703	345470459	/nfs/dbraw/zinc/47/04/59/345470459.db2.gz	VWLKYLLKOKOYPU-QWRGUYRKSA-N	1	1	210.321	1.387	20	70		BDIDMO
CCN(CC)[C@H](C)C[NH2+]Cc1cn(C)nc1C	ZINC000159846730	345563670	/nfs/dbraw/zinc/56/36/70/345563670.db2.gz	WSKITSYBRJASHR-LLVKDONJSA-N	1	1	238.379	1.548	20	70		BDIDMO
CC[C@@H]([NH2+][C@@H](C)C(N)=O)c1ccc(F)cc1F	ZINC000160694226	346462165	/nfs/dbraw/zinc/46/21/65/346462165.db2.gz	LPCKFCOTDULFHM-WRWORJQWSA-N	1	1	242.269	1.879	20	70		BDIDMO
CC(C)C[C@@H]1CCC[N@H+]1Cc1nncn1C	ZINC000160886395	323137597	/nfs/dbraw/zinc/13/75/97/323137597.db2.gz	DPCKEXQSYWMTIM-NSHDSACASA-N	1	1	222.336	1.826	20	70		BDIDMO
CCSCC[N@H+]1CCC[C@H](CNC(C)=O)C1	ZINC000159727303	350986989	/nfs/dbraw/zinc/98/69/89/350986989.db2.gz	JZYRQKDODWWZJH-GFCCVEGCSA-N	1	1	244.404	1.588	20	70		BDIDMO
CC[N@H+]1CCCN(C(=O)NCCSC)CC1	ZINC000159797178	350997752	/nfs/dbraw/zinc/99/77/52/350997752.db2.gz	GVJFGPIUZUXKPL-UHFFFAOYSA-N	1	1	245.392	1.087	20	70		BDIDMO
Cc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)cc1F	ZINC000160368765	356489775	/nfs/dbraw/zinc/48/97/75/356489775.db2.gz	YNIGMKHQYISSIA-LBPRGKRZSA-N	1	1	236.290	1.584	20	70		BDIDMO
Cc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)cc1F	ZINC000160368765	356489779	/nfs/dbraw/zinc/48/97/79/356489779.db2.gz	YNIGMKHQYISSIA-LBPRGKRZSA-N	1	1	236.290	1.584	20	70		BDIDMO
CCN(C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1	ZINC000160705940	357184446	/nfs/dbraw/zinc/18/44/46/357184446.db2.gz	CVSVATVNUUGVER-NEPJUHHUSA-N	1	1	239.363	1.474	20	70		BDIDMO
c1[nH+]c2c(n1C[C@H]1CCOC1)CCCC2	ZINC000160721114	361324785	/nfs/dbraw/zinc/32/47/85/361324785.db2.gz	FQTRHULQYYIUDF-SNVBAGLBSA-N	1	1	206.289	1.798	20	70		BDIDMO
CC(C)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1	ZINC000161404253	368144799	/nfs/dbraw/zinc/14/47/99/368144799.db2.gz	DACSXFIENSLDQS-LLVKDONJSA-N	1	1	234.347	1.812	20	70		BDIDMO
CC(C)[N@@H+](C)CCCNCc1nccs1	ZINC000218092209	372059742	/nfs/dbraw/zinc/05/97/42/372059742.db2.gz	YNIJSPCZCAMFBT-UHFFFAOYSA-N	1	1	227.377	1.963	20	70		BDIDMO
Cc1nnc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)n1C	ZINC000159700499	384350597	/nfs/dbraw/zinc/35/05/97/384350597.db2.gz	NWXQBEZXARWKBB-RYUDHWBXSA-N	1	1	234.347	1.888	20	70		BDIDMO
CC[N@@H+](C)CCNC(=O)[C@@H](C)c1cccs1	ZINC000160149045	384387395	/nfs/dbraw/zinc/38/73/95/384387395.db2.gz	JXNWITZYVQTYFR-JTQLQIEISA-N	1	1	240.372	1.920	20	70		BDIDMO
C[N@@H+](CCCCCO)C[C@@H]1CCC[C@@H]1O	ZINC000159712402	384487172	/nfs/dbraw/zinc/48/71/72/384487172.db2.gz	WNHLYDLASHOEMH-RYUDHWBXSA-N	1	1	215.337	1.242	20	70		BDIDMO
CC(C)OCCC[N@@H+](C)[C@H]1CCCCNC1=O	ZINC000160300089	384677295	/nfs/dbraw/zinc/67/72/95/384677295.db2.gz	AMLIFOUMFNUDQT-LBPRGKRZSA-N	1	1	242.363	1.402	20	70		BDIDMO
CC[N@@H+](CCCO)Cc1cncs1	ZINC000161299254	385755400	/nfs/dbraw/zinc/75/54/00/385755400.db2.gz	JYTQZSHLJFJJGZ-UHFFFAOYSA-N	1	1	200.307	1.347	20	70		BDIDMO
C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1cscn1	ZINC000161228144	387155892	/nfs/dbraw/zinc/15/58/92/387155892.db2.gz	QXAZRQIXNAEPJU-BQBZGAKWSA-N	1	1	213.306	1.058	20	70		BDIDMO
CCC[C@@H](C)[N@H+]1CCO[C@@H](C(=O)OC)C1	ZINC000218589228	388584062	/nfs/dbraw/zinc/58/40/62/388584062.db2.gz	HEGUGJQLZZNVLG-NXEZZACHSA-N	1	1	215.293	1.049	20	70		BDIDMO
CCN1CCC([N@@H+](C)CCn2ccnc2)CC1	ZINC000161350826	411294116	/nfs/dbraw/zinc/29/41/16/411294116.db2.gz	QRVNJSLWOCDDSU-UHFFFAOYSA-N	1	1	236.363	1.299	20	70		BDIDMO
C[C@H](N)C[NH2+][C@@H](C)Cc1ccccc1F	ZINC000218300482	487647006	/nfs/dbraw/zinc/64/70/06/487647006.db2.gz	CGYUQCCQTUIIEZ-UWVGGRQHSA-N	1	1	210.296	1.694	20	70		BDIDMO
C[C@H]([NH3+])CN[C@@H](C)Cc1ccccc1F	ZINC000218300482	487647007	/nfs/dbraw/zinc/64/70/07/487647007.db2.gz	CGYUQCCQTUIIEZ-UWVGGRQHSA-N	1	1	210.296	1.694	20	70		BDIDMO
C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cccc(O)c1	ZINC000159655115	323042502	/nfs/dbraw/zinc/04/25/02/323042502.db2.gz	XLKGOFQZLPRTTM-ZYHUDNBSSA-N	1	1	248.326	1.478	20	70		BDIDMO
C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cccc(O)c1	ZINC000159655257	323042571	/nfs/dbraw/zinc/04/25/71/323042571.db2.gz	XLKGOFQZLPRTTM-CMPLNLGQSA-N	1	1	248.326	1.478	20	70		BDIDMO
C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cccc(O)c1	ZINC000159654811	323042577	/nfs/dbraw/zinc/04/25/77/323042577.db2.gz	XLKGOFQZLPRTTM-PWSUYJOCSA-N	1	1	248.326	1.478	20	70		BDIDMO
CC[C@@H](C)OCC(=O)NC[C@@H]1CC[N@@H+](CC)C1	ZINC000160122245	323060989	/nfs/dbraw/zinc/06/09/89/323060989.db2.gz	GBAPSNYEUWZZRF-NEPJUHHUSA-N	1	1	242.363	1.260	20	70		BDIDMO
CC[N@H+](CC=C(C)C)[C@H]1CCS(=O)(=O)C1	ZINC000160846312	323136638	/nfs/dbraw/zinc/13/66/38/323136638.db2.gz	BNEVEOHLVBOYNU-NSHDSACASA-N	1	1	231.361	1.462	20	70		BDIDMO
CC[N@@H+](CC=C(C)C)[C@H]1CCS(=O)(=O)C1	ZINC000160846312	323136639	/nfs/dbraw/zinc/13/66/39/323136639.db2.gz	BNEVEOHLVBOYNU-NSHDSACASA-N	1	1	231.361	1.462	20	70		BDIDMO
COC[C@@H](C)[NH2+][C@H](C)c1cscn1	ZINC000161127503	323148018	/nfs/dbraw/zinc/14/80/18/323148018.db2.gz	CYEWUGBEFFGBGP-HTQZYQBOSA-N	1	1	200.307	1.829	20	70		BDIDMO
C[C@@H]([NH2+]CCn1ccnc1)c1cscn1	ZINC000161138475	323149044	/nfs/dbraw/zinc/14/90/44/323149044.db2.gz	NKOGPKNINSCCFW-SECBINFHSA-N	1	1	222.317	1.690	20	70		BDIDMO
CCOCCC[N@H+]1CCC[C@@H](CNC(C)=O)C1	ZINC000159731710	535515290	/nfs/dbraw/zinc/51/52/90/535515290.db2.gz	INXWCWMAFUUIMR-ZDUSSCGKSA-N	1	1	242.363	1.261	20	70		BDIDMO
CN(CCC[NH+]1CCCCC1)C[C@H](O)C1CC1	ZINC000161465357	538915689	/nfs/dbraw/zinc/91/56/89/538915689.db2.gz	QARDEIISHNDYDO-AWEZNQCLSA-N	1	1	240.391	1.565	20	70		BDIDMO
C[N@H+](CCCN1CCCCC1)C[C@H](O)C1CC1	ZINC000161465357	538915691	/nfs/dbraw/zinc/91/56/91/538915691.db2.gz	QARDEIISHNDYDO-AWEZNQCLSA-N	1	1	240.391	1.565	20	70		BDIDMO
C[N@@H+](CCCN1CCCCC1)C[C@H](O)C1CC1	ZINC000161465357	538915692	/nfs/dbraw/zinc/91/56/92/538915692.db2.gz	QARDEIISHNDYDO-AWEZNQCLSA-N	1	1	240.391	1.565	20	70		BDIDMO
CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@@H](C)CO	ZINC000160921643	538913145	/nfs/dbraw/zinc/91/31/45/538913145.db2.gz	UHEOXWMCOKTZBR-OUAUKWLOSA-N	1	1	201.310	1.114	20	70		BDIDMO
NC(=O)[C@H]1CCC[N@H+]1Cc1coc2ccccc12	ZINC000160319507	136218411	/nfs/dbraw/zinc/21/84/11/136218411.db2.gz	LMBMDGYJRHKPPR-GFCCVEGCSA-N	1	1	244.294	1.883	20	70		BDIDMO
CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)N(C)C	ZINC000161051756	346473570	/nfs/dbraw/zinc/47/35/70/346473570.db2.gz	WWERREHOUICEFV-NSHDSACASA-N	1	1	235.331	1.380	20	70		BDIDMO
CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)N(C)C	ZINC000161051756	346473571	/nfs/dbraw/zinc/47/35/71/346473571.db2.gz	WWERREHOUICEFV-NSHDSACASA-N	1	1	235.331	1.380	20	70		BDIDMO
C[C@H](CC(N)=O)Nc1[nH+]c2ccccc2n1C	ZINC000161086361	349369782	/nfs/dbraw/zinc/36/97/82/349369782.db2.gz	TVDWCZQIVUKHLX-MRVPVSSYSA-N	1	1	232.287	1.249	20	70		BDIDMO
OC[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1	ZINC000161253505	349416520	/nfs/dbraw/zinc/41/65/20/349416520.db2.gz	YCETYMZPKLDFIP-CQSZACIVSA-N	1	1	240.391	1.567	20	70		BDIDMO
OC[C@@H]1CCC[N@H+](CCCN2CCCCC2)C1	ZINC000161253505	349416521	/nfs/dbraw/zinc/41/65/21/349416521.db2.gz	YCETYMZPKLDFIP-CQSZACIVSA-N	1	1	240.391	1.567	20	70		BDIDMO
OC[C@@H]1CCC[N@@H+](CCCN2CCCCC2)C1	ZINC000161253505	349416522	/nfs/dbraw/zinc/41/65/22/349416522.db2.gz	YCETYMZPKLDFIP-CQSZACIVSA-N	1	1	240.391	1.567	20	70		BDIDMO
Cc1ncc([C@@H](C)NC2CC[NH+](C)CC2)c(C)n1	ZINC000161456452	180172589	/nfs/dbraw/zinc/17/25/89/180172589.db2.gz	IIBVWDKECCLBTF-LLVKDONJSA-N	1	1	248.374	1.838	20	70		BDIDMO
CCO[C@@H]1CCC[N@@H+](CCn2ccnc2)C1	ZINC000159841200	538879653	/nfs/dbraw/zinc/87/96/53/538879653.db2.gz	VOZCRQISVAZMCB-GFCCVEGCSA-N	1	1	223.320	1.384	20	70		BDIDMO
C[C@H](O)[C@@H]1CC[N@@H+](CCC(F)(F)F)C1	ZINC000159469995	361238082	/nfs/dbraw/zinc/23/80/82/361238082.db2.gz	IMNDHCJTVPAVML-JGVFFNPUSA-N	1	1	211.227	1.642	20	70		BDIDMO
C[C@@H](O)[C@@H]1CC[N@@H+](CCC(F)(F)F)C1	ZINC000159470115	361238465	/nfs/dbraw/zinc/23/84/65/361238465.db2.gz	IMNDHCJTVPAVML-HTQZYQBOSA-N	1	1	211.227	1.642	20	70		BDIDMO
COC(=O)[C@H](C1CC1)[N@H+]1CC[C@H](C(C)C)C1	ZINC000159600997	361260950	/nfs/dbraw/zinc/26/09/50/361260950.db2.gz	OFWOMAMDOCNGDI-RYUDHWBXSA-N	1	1	225.332	1.916	20	70		BDIDMO
C[C@H](C[NH+](C)C)NCc1cncc(F)c1	ZINC000160129562	361300044	/nfs/dbraw/zinc/30/00/44/361300044.db2.gz	AKDGXHNWSBTRLZ-SECBINFHSA-N	1	1	211.284	1.260	20	70		BDIDMO
CCCC[C@H](C(=O)OC)[N@@H+](CC)CCCO	ZINC000160731267	361325731	/nfs/dbraw/zinc/32/57/31/361325731.db2.gz	NMVJCRNTJHSCTP-LLVKDONJSA-N	1	1	231.336	1.423	20	70		BDIDMO
C[N@@H+](Cc1ccon1)C[C@H]1CCC[C@@H]1O	ZINC000159686923	384348406	/nfs/dbraw/zinc/34/84/06/384348406.db2.gz	XNPKIALWEKPFIC-KOLCDFICSA-N	1	1	210.277	1.267	20	70		BDIDMO
C[N@H+](Cc1ccon1)C[C@H]1CCC[C@@H]1O	ZINC000159686923	384348411	/nfs/dbraw/zinc/34/84/11/384348411.db2.gz	XNPKIALWEKPFIC-KOLCDFICSA-N	1	1	210.277	1.267	20	70		BDIDMO
CCCc1csc(N2CC[NH+](C)CC2)n1	ZINC000160640009	384425806	/nfs/dbraw/zinc/42/58/06/384425806.db2.gz	XGPPVVJWWPFOQU-UHFFFAOYSA-N	1	1	225.361	1.847	20	70		BDIDMO
CC[C@](C)(O)C[N@H+](C)CC(=O)OC(C)(C)C	ZINC000160801503	384436576	/nfs/dbraw/zinc/43/65/76/384436576.db2.gz	BYNYNSTUSMGIGD-LBPRGKRZSA-N	1	1	231.336	1.421	20	70		BDIDMO
CC[C@](C)(O)C[N@@H+](C)CC(=O)OC(C)(C)C	ZINC000160801503	384436583	/nfs/dbraw/zinc/43/65/83/384436583.db2.gz	BYNYNSTUSMGIGD-LBPRGKRZSA-N	1	1	231.336	1.421	20	70		BDIDMO
CC[C@@](C)(O)C[N@@H+]1CC[C@H](CN(C)C)C1	ZINC000161105828	384463793	/nfs/dbraw/zinc/46/37/93/384463793.db2.gz	QEDCZNFWWCYMOQ-VXGBXAGGSA-N	1	1	214.353	1.031	20	70		BDIDMO
CC[C@@](C)(O)C[N@H+]1CC[C@H](CN(C)C)C1	ZINC000161105828	384463798	/nfs/dbraw/zinc/46/37/98/384463798.db2.gz	QEDCZNFWWCYMOQ-VXGBXAGGSA-N	1	1	214.353	1.031	20	70		BDIDMO
Cc1ccc(NC(=O)C[NH+](C)C)c(O)c1	ZINC000218193703	387817327	/nfs/dbraw/zinc/81/73/27/387817327.db2.gz	IDEFLJRMWSOISM-UHFFFAOYSA-N	1	1	208.261	1.201	20	70		BDIDMO
CCOCC[N@H+](C)C1(C(=O)OC)CCCC1	ZINC000159367771	388010387	/nfs/dbraw/zinc/01/03/87/388010387.db2.gz	GJASKBAACJRVRN-UHFFFAOYSA-N	1	1	229.320	1.441	20	70		BDIDMO
CCOCC[N@@H+](C)C1(C(=O)OC)CCCC1	ZINC000159367771	388010390	/nfs/dbraw/zinc/01/03/90/388010390.db2.gz	GJASKBAACJRVRN-UHFFFAOYSA-N	1	1	229.320	1.441	20	70		BDIDMO
CCC[C@H](C)[N@H+]1CCO[C@@H](C(=O)OC)C1	ZINC000218589299	388584088	/nfs/dbraw/zinc/58/40/88/388584088.db2.gz	HEGUGJQLZZNVLG-VHSXEESVSA-N	1	1	215.293	1.049	20	70		BDIDMO
CCc1ncnc(NC[C@@H]2CC[N@@H+](C)C2)c1F	ZINC000218005490	172031643	/nfs/dbraw/zinc/03/16/43/172031643.db2.gz	YZIPPHKTMSUKNY-VIFPVBQESA-N	1	1	238.310	1.542	20	70		BDIDMO
COCCOCC[NH2+][C@H](C)c1cscn1	ZINC000161167797	174358099	/nfs/dbraw/zinc/35/80/99/174358099.db2.gz	BKHWZIJBYZLVDH-SECBINFHSA-N	1	1	230.333	1.457	20	70		BDIDMO
Cc1ccccc1C[C@H](C)[NH2+]C[C@H](C)N	ZINC000218299618	487647580	/nfs/dbraw/zinc/64/75/80/487647580.db2.gz	DWOWGYPWDJOTOI-RYUDHWBXSA-N	1	1	206.333	1.863	20	70		BDIDMO
C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cccc(O)c1	ZINC000159654962	323042583	/nfs/dbraw/zinc/04/25/83/323042583.db2.gz	XLKGOFQZLPRTTM-JQWIXIFHSA-N	1	1	248.326	1.478	20	70		BDIDMO
COC[C@@H](C)SCC[NH+]1CCOCC1	ZINC000160035045	323058178	/nfs/dbraw/zinc/05/81/78/323058178.db2.gz	GCGQUCBDONTGEN-SNVBAGLBSA-N	1	1	219.350	1.087	20	70		BDIDMO
C[N@H+]1CCC[C@H]1CNC(=O)NC1(C)CCC1	ZINC000160032690	323058263	/nfs/dbraw/zinc/05/82/63/323058263.db2.gz	LAKOSTUOOCYYNP-JTQLQIEISA-N	1	1	225.336	1.322	20	70		BDIDMO
CC[C@H](C)OCC(=O)NC[C@H]1CC[N@@H+](CC)C1	ZINC000160122659	323061038	/nfs/dbraw/zinc/06/10/38/323061038.db2.gz	GBAPSNYEUWZZRF-NWDGAFQWSA-N	1	1	242.363	1.260	20	70		BDIDMO
C[C@@H]([NH2+]C[C@@H]1COCCO1)c1cscn1	ZINC000161158761	323149403	/nfs/dbraw/zinc/14/94/03/323149403.db2.gz	MKVMMFLZIKJZLD-RKDXNWHRSA-N	1	1	228.317	1.209	20	70		BDIDMO
CC[C@H](C)[N@H+](C)CCNC(=O)C(F)(F)F	ZINC000217406778	592107550	/nfs/dbraw/zinc/10/75/50/592107550.db2.gz	HXXFTJHXULNFSK-ZETCQYMHSA-N	1	1	226.242	1.395	20	70		BDIDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(F)(F)F	ZINC000217406778	592107553	/nfs/dbraw/zinc/10/75/53/592107553.db2.gz	HXXFTJHXULNFSK-ZETCQYMHSA-N	1	1	226.242	1.395	20	70		BDIDMO
C[C@@H](c1ccccn1)[N@@H+](C)C[C@H](O)C1CC1	ZINC000160858912	538912931	/nfs/dbraw/zinc/91/29/31/538912931.db2.gz	HWTOCGXMAASSBA-GWCFXTLKSA-N	1	1	220.316	1.845	20	70		BDIDMO
C(C[N@H+]1CCCSCC1)N1CCCCC1	ZINC000161485466	349463819	/nfs/dbraw/zinc/46/38/19/349463819.db2.gz	IHAQAJBEWAKZHB-UHFFFAOYSA-N	1	1	228.405	1.911	20	70		BDIDMO
C(C[NH+]1CCCCC1)N1CCCSCC1	ZINC000161485466	349463820	/nfs/dbraw/zinc/46/38/20/349463820.db2.gz	IHAQAJBEWAKZHB-UHFFFAOYSA-N	1	1	228.405	1.911	20	70		BDIDMO
CC(C)OC(=O)CC[N@@H+](C)C[C@@H]1CCC[C@@H]1O	ZINC000159837915	323050380	/nfs/dbraw/zinc/05/03/80/323050380.db2.gz	WHJVVNAXZKAUAU-RYUDHWBXSA-N	1	1	243.347	1.421	20	70		BDIDMO
C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@H]1CC=CCC1	ZINC000159529971	345441396	/nfs/dbraw/zinc/44/13/96/345441396.db2.gz	WDVXBRDONMOOLJ-AGIUHOORSA-N	1	1	236.359	1.929	20	70		BDIDMO
CCc1cc(=O)[nH]c(C[N@@H+](C)[C@H](C)C2CC2)n1	ZINC000161012836	345526252	/nfs/dbraw/zinc/52/62/52/345526252.db2.gz	YJNWLFZHMHAWFE-SECBINFHSA-N	1	1	235.331	1.975	20	70		BDIDMO
CCC[NH+]1CCN(c2nc(CC)ns2)CC1	ZINC000218573884	345744920	/nfs/dbraw/zinc/74/49/20/345744920.db2.gz	HLWKGJNXGKSGEH-UHFFFAOYSA-N	1	1	240.376	1.633	20	70		BDIDMO
Cn1cnnc1C[N@H+]1CC[C@@H]2CCCC[C@@H]21	ZINC000160889445	346468823	/nfs/dbraw/zinc/46/88/23/346468823.db2.gz	UXMZQFQWASUXDW-QWRGUYRKSA-N	1	1	220.320	1.580	20	70		BDIDMO
CN(C(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21)C1CC1	ZINC000160558618	349202052	/nfs/dbraw/zinc/20/20/52/349202052.db2.gz	KSAPZDATKGCRJB-AAEUAGOBSA-N	1	1	236.359	1.872	20	70		BDIDMO
C[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1	ZINC000161309454	349419800	/nfs/dbraw/zinc/41/98/00/349419800.db2.gz	QVYPOHXYNLHBPN-FRRDWIJNSA-N	1	1	238.375	1.881	20	70		BDIDMO
Cc1nc2ccccn2c1C[N@H+]1CC[C@H](O)C1	ZINC000160387695	180107478	/nfs/dbraw/zinc/10/74/78/180107478.db2.gz	BNAVAFSJSJOESJ-NSHDSACASA-N	1	1	231.299	1.209	20	70		BDIDMO
Cc1[nH+]ccn1CCCN(C)C(=O)NC(C)C	ZINC000160899769	180236294	/nfs/dbraw/zinc/23/62/94/180236294.db2.gz	GDOOVJKKXIWOCJ-UHFFFAOYSA-N	1	1	238.335	1.631	20	70		BDIDMO
CCCC[C@@H](C(=O)OC)[N@H+](C)C[C@@H](C)O	ZINC000159536876	361250159	/nfs/dbraw/zinc/25/01/59/361250159.db2.gz	ATILRYWCNXBGFS-ZJUUUORDSA-N	1	1	217.309	1.031	20	70		BDIDMO
CCCC[C@@H](C(=O)OC)[N@@H+](C)C[C@@H](C)O	ZINC000159536876	361250166	/nfs/dbraw/zinc/25/01/66/361250166.db2.gz	ATILRYWCNXBGFS-ZJUUUORDSA-N	1	1	217.309	1.031	20	70		BDIDMO
COC(=O)[C@H](C1CC1)[N@H+](C)CCSC	ZINC000160112744	361300713	/nfs/dbraw/zinc/30/07/13/361300713.db2.gz	XGUBPSURYPFVMR-VIFPVBQESA-N	1	1	217.334	1.233	20	70		BDIDMO
COC(=O)[C@H](C1CC1)[N@@H+](C)CCSC	ZINC000160112744	361300715	/nfs/dbraw/zinc/30/07/15/361300715.db2.gz	XGUBPSURYPFVMR-VIFPVBQESA-N	1	1	217.334	1.233	20	70		BDIDMO
CCOC(=O)[C@@H](CC)[N@@H+](CC)CCCO	ZINC000160727836	361325000	/nfs/dbraw/zinc/32/50/00/361325000.db2.gz	JZRLOQMIIWVJFF-SNVBAGLBSA-N	1	1	217.309	1.032	20	70		BDIDMO
OC[C@H]1CCCC[N@H+]1C[C@H](O)Cc1ccccc1	ZINC000159828638	183148233	/nfs/dbraw/zinc/14/82/33/183148233.db2.gz	YQXFSTJTDIVLBM-HUUCEWRRSA-N	1	1	249.354	1.437	20	70		BDIDMO
CCC[N@H+]1CCCN(C(=O)C(C)C)CC1	ZINC000160357368	169191731	/nfs/dbraw/zinc/19/17/31/169191731.db2.gz	MTDSAXNPSAYZRV-UHFFFAOYSA-N	1	1	212.337	1.587	20	70		BDIDMO
CCc1cc(=O)[nH]c(C[NH+]2CCC(C)CC2)n1	ZINC000160493060	384414058	/nfs/dbraw/zinc/41/40/58/384414058.db2.gz	BUVRWUWKJRGWLR-UHFFFAOYSA-N	1	1	235.331	1.977	20	70		BDIDMO
CCCC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1	ZINC000161398371	387210660	/nfs/dbraw/zinc/21/06/60/387210660.db2.gz	OTBUAFHVJJEBPH-UHFFFAOYSA-N	1	1	247.342	1.839	20	70		BDIDMO
CSCCN(C)C[C@@H]1CCC[NH2+]C1	ZINC000160042347	388043549	/nfs/dbraw/zinc/04/35/49/388043549.db2.gz	RKUIUNXEHOAEFX-SNVBAGLBSA-N	1	1	202.367	1.281	20	70		BDIDMO
CC[C@](C)(O)C[N@H+]1CCC[C@@H](OC)C1	ZINC000217965219	388574732	/nfs/dbraw/zinc/57/47/32/388574732.db2.gz	IAUMNLSYFKNSCH-MNOVXSKESA-N	1	1	201.310	1.258	20	70		BDIDMO
C[C@@H]1C[N@@H+](C[C@@H](O)C(C)(C)C)[C@@H](C)CO1	ZINC000216917866	134177960	/nfs/dbraw/zinc/17/79/60/134177960.db2.gz	OKPGZNIURXWUMZ-HBNTYKKESA-N	1	1	215.337	1.503	20	70		BDIDMO
COCCCC[N@H+]1CC[C@@H]([C@H](C)O)C1	ZINC000159450526	397946618	/nfs/dbraw/zinc/94/66/18/397946618.db2.gz	PAZVTEQNCIZHCO-WDEREUQCSA-N	1	1	201.310	1.116	20	70		BDIDMO
CCCC[C@@H](C(=O)OC)[N@H+](C)C[C@H](O)C1CC1	ZINC000160847767	398117875	/nfs/dbraw/zinc/11/78/75/398117875.db2.gz	PAEBQQMGYQKAOG-RYUDHWBXSA-N	1	1	243.347	1.421	20	70		BDIDMO
CCCC[C@@H](C(=O)OC)[N@@H+](C)C[C@H](O)C1CC1	ZINC000160847767	398117876	/nfs/dbraw/zinc/11/78/76/398117876.db2.gz	PAEBQQMGYQKAOG-RYUDHWBXSA-N	1	1	243.347	1.421	20	70		BDIDMO
CCC(=O)N[C@H]1CCC[N@@H+](C[C@](C)(O)CC)C1	ZINC000160758204	168240552	/nfs/dbraw/zinc/24/05/52/168240552.db2.gz	WDIRJGYFOOUBQI-WCQYABFASA-N	1	1	242.363	1.138	20	70		BDIDMO
CCn1cnnc1C[NH2+]Cc1cccs1	ZINC000218229849	172237000	/nfs/dbraw/zinc/23/70/00/172237000.db2.gz	CXZVEDRITKQAQX-UHFFFAOYSA-N	1	1	222.317	1.649	20	70		BDIDMO
COc1ccnc(NC(=O)[C@@H]2CCC[N@@H+]2C)c1	ZINC000161430928	175363806	/nfs/dbraw/zinc/36/38/06/175363806.db2.gz	QGQPJZVXUGLRTM-JTQLQIEISA-N	1	1	235.287	1.123	20	70		BDIDMO
COc1ccnc(NC(=O)[C@@H]2CCC[N@H+]2C)c1	ZINC000161430928	175363807	/nfs/dbraw/zinc/36/38/07/175363807.db2.gz	QGQPJZVXUGLRTM-JTQLQIEISA-N	1	1	235.287	1.123	20	70		BDIDMO
C[C@H]1C[C@H](C)[N@@H+](Cc2cnc(N)s2)C1	ZINC000161298497	177359376	/nfs/dbraw/zinc/35/93/76/177359376.db2.gz	KUBIDTKLKSNXQK-YUMQZZPRSA-N	1	1	211.334	1.956	20	70		BDIDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)NC1(C)CCC1	ZINC000160582014	323073109	/nfs/dbraw/zinc/07/31/09/323073109.db2.gz	RUOWBMADLOOTKU-NSHDSACASA-N	1	1	241.379	1.959	20	70		BDIDMO
C[C@H](C1CC1)[N@H+](Cc1nncn1C)C1CC1	ZINC000160773300	323134764	/nfs/dbraw/zinc/13/47/64/323134764.db2.gz	AVZJMDFWECLKQA-SECBINFHSA-N	1	1	220.320	1.578	20	70		BDIDMO
C[C@H](C1CC1)[N@@H+](Cc1nncn1C)C1CC1	ZINC000160773300	323134765	/nfs/dbraw/zinc/13/47/65/323134765.db2.gz	AVZJMDFWECLKQA-SECBINFHSA-N	1	1	220.320	1.578	20	70		BDIDMO
C[C@H]1CCC[C@H]([N@@H+](C)Cc2nncn2C)C1	ZINC000160776258	323134775	/nfs/dbraw/zinc/13/47/75/323134775.db2.gz	CUPNGMCIKXFNBR-QWRGUYRKSA-N	1	1	222.336	1.826	20	70		BDIDMO
C[NH+]1CCN(C(=O)NCC2CCCC2)CC1	ZINC000217567465	536405453	/nfs/dbraw/zinc/40/54/53/536405453.db2.gz	YWIYNBSUNYZYLS-UHFFFAOYSA-N	1	1	225.336	1.134	20	70		BDIDMO
C[N@H+](CCCCCCO)C1CCNCC1	ZINC000218585033	592164563	/nfs/dbraw/zinc/16/45/63/592164563.db2.gz	GGNVVJQBSCZKOH-UHFFFAOYSA-N	1	1	214.353	1.223	20	70		BDIDMO
C[N@@H+](CCCCCCO)C1CCNCC1	ZINC000218585033	592164564	/nfs/dbraw/zinc/16/45/64/592164564.db2.gz	GGNVVJQBSCZKOH-UHFFFAOYSA-N	1	1	214.353	1.223	20	70		BDIDMO
Cc1nccn1CCC[N@H+](C)CC1CC1	ZINC000161428204	349445944	/nfs/dbraw/zinc/44/59/44/349445944.db2.gz	BXWHJNFILVBSLK-UHFFFAOYSA-N	1	1	207.321	1.923	20	70		BDIDMO
C[C@@H]1C[N@H+](CCn2ccnc2)C[C@H](C)S1	ZINC000159852983	323050827	/nfs/dbraw/zinc/05/08/27/323050827.db2.gz	KRXFUGZWCOKQDR-PHIMTYICSA-N	1	1	225.361	1.709	20	70		BDIDMO
c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)[nH]n1	ZINC000159611403	345445607	/nfs/dbraw/zinc/44/56/07/345445607.db2.gz	FMIMDKLHTQEZSN-TUAOUCFPSA-N	1	1	233.315	1.457	20	70		BDIDMO
Cc1cccc([C@H]2CCC[N@H+]2CCCO)n1	ZINC000159781376	345529878	/nfs/dbraw/zinc/52/98/78/345529878.db2.gz	FJGYYPLEVMXUBK-CYBMUJFWSA-N	1	1	220.316	1.909	20	70		BDIDMO
CCOCCC[N@H+]1CCCC[C@@H]1CC(N)=O	ZINC000159860082	345572271	/nfs/dbraw/zinc/57/22/71/345572271.db2.gz	GOICJSHZOMBXOF-LLVKDONJSA-N	1	1	228.336	1.143	20	70		BDIDMO
COC(=O)CCC[N@@H+](C)C[C@H]1CCC[C@@H]1O	ZINC000159500266	346423584	/nfs/dbraw/zinc/42/35/84/346423584.db2.gz	IWYLRQQWBHBXRF-MNOVXSKESA-N	1	1	229.320	1.032	20	70		BDIDMO
C[C@@H]([NH2+]C[C@H]1COCCO1)c1cscn1	ZINC000161158948	323149477	/nfs/dbraw/zinc/14/94/77/323149477.db2.gz	MKVMMFLZIKJZLD-BDAKNGLRSA-N	1	1	228.317	1.209	20	70		BDIDMO
C[C@H](CO)C[N@H+]1CCC[C@H](C(F)(F)F)C1	ZINC000160906556	538456117	/nfs/dbraw/zinc/45/61/17/538456117.db2.gz	RUUSXRIFVXZELD-IUCAKERBSA-N	1	1	225.254	1.889	20	70		BDIDMO
C[C@H]1C[N@@H+](C)CCN1Cc1cccnc1	ZINC000217120833	357046815	/nfs/dbraw/zinc/04/68/15/357046815.db2.gz	QRCNTSKNCDPAPM-NSHDSACASA-N	1	1	205.305	1.218	20	70		BDIDMO
CCOCCC[N@H+]1CC[C@@H]([C@@H](C)O)C1	ZINC000159472283	361238491	/nfs/dbraw/zinc/23/84/91/361238491.db2.gz	UIEBDWOIIHTFOR-GHMZBOCLSA-N	1	1	201.310	1.116	20	70		BDIDMO
OC[C@H]1CCCC[N@H+]1C[C@H]1CCCCO1	ZINC000159799685	361291266	/nfs/dbraw/zinc/29/12/66/361291266.db2.gz	DKMGLBVUMABWGM-VXGBXAGGSA-N	1	1	213.321	1.402	20	70		BDIDMO
c1[nH+]c2c(n1C[C@@H]1CCOC1)CCCC2	ZINC000160720971	361325353	/nfs/dbraw/zinc/32/53/53/361325353.db2.gz	FQTRHULQYYIUDF-JTQLQIEISA-N	1	1	206.289	1.798	20	70		BDIDMO
Cc1cnccc1C[NH2+]Cc1ncc[nH]1	ZINC000160600282	361663608	/nfs/dbraw/zinc/66/36/08/361663608.db2.gz	GJNQIQNCVATMPV-UHFFFAOYSA-N	1	1	202.261	1.403	20	70		BDIDMO
CCC[N@H+]1CCCN(C(=O)[C@H](C)OCC)CC1	ZINC000160395936	169192655	/nfs/dbraw/zinc/19/26/55/169192655.db2.gz	JEGUPUAJRFNTAU-LBPRGKRZSA-N	1	1	242.363	1.356	20	70		BDIDMO
CC[N@@H+](C)CCNC(=O)CCCn1cccc1	ZINC000159523096	384338048	/nfs/dbraw/zinc/33/80/48/384338048.db2.gz	NQLZKGVHQHJGSL-UHFFFAOYSA-N	1	1	237.347	1.336	20	70		BDIDMO
C(C[NH+]1CCOCC1)SC[C@@H]1CCCO1	ZINC000160041035	384379906	/nfs/dbraw/zinc/37/99/06/384379906.db2.gz	ADXPZDIDUSQXND-NSHDSACASA-N	1	1	231.361	1.231	20	70		BDIDMO
CC[N@@H+](C)CCNC(=O)[C@H](C)c1cccs1	ZINC000160149190	384387498	/nfs/dbraw/zinc/38/74/98/384387498.db2.gz	JXNWITZYVQTYFR-SNVBAGLBSA-N	1	1	240.372	1.920	20	70		BDIDMO
CCOCCC[N@H+]1C[C@H](C)OC(C)(C)C1	ZINC000159667540	388026246	/nfs/dbraw/zinc/02/62/46/388026246.db2.gz	XMUUVLUCOMVWCV-NSHDSACASA-N	1	1	215.337	1.912	20	70		BDIDMO
CCc1cc(=O)[nH]c(C[NH+]2CCCCC2)n1	ZINC000160457380	388066489	/nfs/dbraw/zinc/06/64/89/388066489.db2.gz	JQLWHXQJIPQOMQ-UHFFFAOYSA-N	1	1	221.304	1.731	20	70		BDIDMO
CC(C)S(=O)(=O)CCC[NH+]1CCCCC1	ZINC000160455958	388066808	/nfs/dbraw/zinc/06/68/08/388066808.db2.gz	UYGHPJILWDORAB-UHFFFAOYSA-N	1	1	233.377	1.686	20	70		BDIDMO
CCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC000218002520	134251496	/nfs/dbraw/zinc/25/14/96/134251496.db2.gz	NOAKVFOXQRQROA-UWVGGRQHSA-N	1	1	213.325	1.130	20	70		BDIDMO
CCc1ncnc(NCC[N@H+](C)CC)c1F	ZINC000217992340	172031871	/nfs/dbraw/zinc/03/18/71/172031871.db2.gz	GEGSFLWDVJLIHC-UHFFFAOYSA-N	1	1	226.299	1.542	20	70		BDIDMO
C[C@@H](N)C[NH2+][C@@H](C)Cc1ccc(F)cc1	ZINC000218299917	487646959	/nfs/dbraw/zinc/64/69/59/487646959.db2.gz	XIYHAARGCWDGHR-ZJUUUORDSA-N	1	1	210.296	1.694	20	70		BDIDMO
C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cncs1	ZINC000159538660	323035940	/nfs/dbraw/zinc/03/59/40/323035940.db2.gz	NVVAXINXUMBKQP-IUCAKERBSA-N	1	1	239.344	1.229	20	70		BDIDMO
C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccn(C)c1	ZINC000159575443	323038339	/nfs/dbraw/zinc/03/83/39/323038339.db2.gz	HCAWKMJHWOVMID-ZYHUDNBSSA-N	1	1	235.331	1.111	20	70		BDIDMO
O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)NCC1CC1	ZINC000159579051	323038466	/nfs/dbraw/zinc/03/84/66/323038466.db2.gz	NDMOZWBPQONZGM-STQMWFEESA-N	1	1	236.359	1.777	20	70		BDIDMO
C[C@@H](O)CC[N@@H+](C)CCC[NH+]1CCCCC1	ZINC000161378480	349436705	/nfs/dbraw/zinc/43/67/05/349436705.db2.gz	ZXEIRNWCRVTDGG-CYBMUJFWSA-N	1	1	228.380	1.565	20	70		BDIDMO
C[C@@H](O)CCN(C)CCC[NH+]1CCCCC1	ZINC000161378480	349436710	/nfs/dbraw/zinc/43/67/10/349436710.db2.gz	ZXEIRNWCRVTDGG-CYBMUJFWSA-N	1	1	228.380	1.565	20	70		BDIDMO
CCCC[N@@H+](C)CCCCS(C)(=O)=O	ZINC000161086801	538914020	/nfs/dbraw/zinc/91/40/20/538914020.db2.gz	VQSHBIUDFJXMHU-UHFFFAOYSA-N	1	1	221.366	1.543	20	70		BDIDMO
CCCC[C@H](C(=O)OC)[N@H+](CC)CCOC	ZINC000161012518	344457620	/nfs/dbraw/zinc/45/76/20/344457620.db2.gz	PFLJAVBUTLOUKI-LLVKDONJSA-N	1	1	231.336	1.687	20	70		BDIDMO
CCCC[C@H](C(=O)OC)[N@@H+](CC)CCOC	ZINC000161012518	344457623	/nfs/dbraw/zinc/45/76/23/344457623.db2.gz	PFLJAVBUTLOUKI-LLVKDONJSA-N	1	1	231.336	1.687	20	70		BDIDMO
COCC[C@@H](C)[N@H+]1CCC[C@@](C)(O)C1	ZINC000161007607	537859991	/nfs/dbraw/zinc/85/99/91/537859991.db2.gz	HPIAGUPCTLJFIN-GHMZBOCLSA-N	1	1	201.310	1.258	20	70		BDIDMO
CC[N@H+]1CC[C@@H](CNC(=O)C[C@@H](C)SC)C1	ZINC000160662042	323083042	/nfs/dbraw/zinc/08/30/42/323083042.db2.gz	DEJWIBNSCWKMOM-MNOVXSKESA-N	1	1	244.404	1.586	20	70		BDIDMO
O=C1CCCN1CC[N@H+]1CC[C@@H]2CCCC[C@@H]21	ZINC000159735563	345507009	/nfs/dbraw/zinc/50/70/09/345507009.db2.gz	LWWQWNUEOVEPOL-STQMWFEESA-N	1	1	236.359	1.873	20	70		BDIDMO
NC(=O)C[C@H]1CCCC[N@H+]1CCOCC1CC1	ZINC000159855823	345570623	/nfs/dbraw/zinc/57/06/23/345570623.db2.gz	GXMVOYPZDQDMHW-GFCCVEGCSA-N	1	1	240.347	1.143	20	70		BDIDMO
CCN(CC)[C@@H](C)C[NH2+]Cc1ccnn1CC	ZINC000159943642	345703142	/nfs/dbraw/zinc/70/31/42/345703142.db2.gz	FJCBINYPZMMEDN-LBPRGKRZSA-N	1	1	238.379	1.723	20	70		BDIDMO
CCC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1	ZINC000160206968	346444536	/nfs/dbraw/zinc/44/45/36/346444536.db2.gz	BJLLRBAAOVAGKO-UHFFFAOYSA-N	1	1	242.363	1.213	20	70		BDIDMO
CCC[N@H+]1CCCN(C(=O)CCCOC)CC1	ZINC000160381271	347854255	/nfs/dbraw/zinc/85/42/55/347854255.db2.gz	BKLFKBOFVBAFHT-UHFFFAOYSA-N	1	1	242.363	1.357	20	70		BDIDMO
CC[C@]1(C)CCCN(C(=O)[C@@H]2CSC[NH2+]2)C1	ZINC000160775358	349321450	/nfs/dbraw/zinc/32/14/50/349321450.db2.gz	SZHYYWMDDLPJAS-CMPLNLGQSA-N	1	1	242.388	1.688	20	70		BDIDMO
CCCO[C@H]1CCC[N@@H+](CC(OC)OC)CC1	ZINC000161026898	349363867	/nfs/dbraw/zinc/36/38/67/349363867.db2.gz	GPGUQBCOCHYCFY-LBPRGKRZSA-N	1	1	245.363	1.886	20	70		BDIDMO
C[C@@H](CC(N)=O)Nc1[nH+]c2ccccc2n1C	ZINC000161086244	349369627	/nfs/dbraw/zinc/36/96/27/349369627.db2.gz	TVDWCZQIVUKHLX-QMMMGPOBSA-N	1	1	232.287	1.249	20	70		BDIDMO
CCSCC[N@H+]1CCC[C@@H](CNC(C)=O)C1	ZINC000159727432	350987146	/nfs/dbraw/zinc/98/71/46/350987146.db2.gz	JZYRQKDODWWZJH-LBPRGKRZSA-N	1	1	244.404	1.588	20	70		BDIDMO
CCSCC[N@H+]1CCC[C@H](CCC(N)=O)C1	ZINC000160329003	355916504	/nfs/dbraw/zinc/91/65/04/355916504.db2.gz	XZUDINRPMABZDX-LLVKDONJSA-N	1	1	244.404	1.717	20	70		BDIDMO
CCN(C)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000160713060	357287263	/nfs/dbraw/zinc/28/72/63/357287263.db2.gz	WVSBNCHDPLDCDQ-NSHDSACASA-N	1	1	225.336	1.132	20	70		BDIDMO
CCOC(=O)C[C@H](O)C[N@H+]1C[C@H](C)C[C@@H]1C	ZINC000161018968	359744076	/nfs/dbraw/zinc/74/40/76/359744076.db2.gz	QOZYFHRHIMYPQB-VWYCJHECSA-N	1	1	229.320	1.031	20	70		BDIDMO
CCOCCC[N@H+]1CCC[C@H]1C[C@@H](C)O	ZINC000159374259	361232472	/nfs/dbraw/zinc/23/24/72/361232472.db2.gz	IKNUDFXWOMDYFV-NEPJUHHUSA-N	1	1	215.337	1.648	20	70		BDIDMO
CCC[C@H]1CNCC[N@H+]1CCCCOC	ZINC000159593702	361259637	/nfs/dbraw/zinc/25/96/37/361259637.db2.gz	DWWZBMHPDSGVKF-LBPRGKRZSA-N	1	1	214.353	1.487	20	70		BDIDMO
CCC[C@H]1C[NH2+]CCN1CCCCOC	ZINC000159593702	361259641	/nfs/dbraw/zinc/25/96/41/361259641.db2.gz	DWWZBMHPDSGVKF-LBPRGKRZSA-N	1	1	214.353	1.487	20	70		BDIDMO
CCC[N@@H+](CCO)Cc1ccc(N(C)C)nc1	ZINC000161231954	541356766	/nfs/dbraw/zinc/35/67/66/541356766.db2.gz	GXJNUIRRLQZIMM-UHFFFAOYSA-N	1	1	237.347	1.352	20	70		BDIDMO
CCSCC[N@H+]1CCNC(=O)[C@@H]1C(C)C	ZINC000160449990	384412444	/nfs/dbraw/zinc/41/24/44/384412444.db2.gz	PIDMZQHFDLCTAB-JTQLQIEISA-N	1	1	230.377	1.196	20	70		BDIDMO
Cc1cnc(C[N@@H+]2CCCSCC2)o1	ZINC000161480654	384493749	/nfs/dbraw/zinc/49/37/49/384493749.db2.gz	YNASBVAFHBPSGG-UHFFFAOYSA-N	1	1	212.318	1.922	20	70		BDIDMO
Cc1cnc(C[N@H+]2CCCSCC2)o1	ZINC000161480654	384493753	/nfs/dbraw/zinc/49/37/53/384493753.db2.gz	YNASBVAFHBPSGG-UHFFFAOYSA-N	1	1	212.318	1.922	20	70		BDIDMO
CC[C@@](C)(O)C[N@H+]1CCC[C@H](COC)C1	ZINC000161099066	385193075	/nfs/dbraw/zinc/19/30/75/385193075.db2.gz	XRYXQIQFGBLAPH-NWDGAFQWSA-N	1	1	215.337	1.506	20	70		BDIDMO
CCOCCCN1CC[NH+](C2CC2)CC1	ZINC000159719649	388028589	/nfs/dbraw/zinc/02/85/89/388028589.db2.gz	PEHUGBSBLIYWLD-UHFFFAOYSA-N	1	1	212.337	1.193	20	70		BDIDMO
C[C@@H]([NH2+]C[C@@H](O)C(F)F)c1cscn1	ZINC000218266062	388579332	/nfs/dbraw/zinc/57/93/32/388579332.db2.gz	KIVSHCATINMKRB-IYSWYEEDSA-N	1	1	222.260	1.420	20	70		BDIDMO
CC(C)C[C@@H]1CCN(C(=O)[C@@H]2CSC[NH2+]2)C1	ZINC000159609737	134782151	/nfs/dbraw/zinc/78/21/51/134782151.db2.gz	KILCMSUZEPJBHF-QWRGUYRKSA-N	1	1	242.388	1.544	20	70		BDIDMO
CC[C@H](C(N)=O)[N@@H+](C)Cc1cccc(N(C)C)c1	ZINC000159825401	171243927	/nfs/dbraw/zinc/24/39/27/171243927.db2.gz	DWTLZRDGVSZMRT-CYBMUJFWSA-N	1	1	249.358	1.448	20	70		BDIDMO
C[C@H](C(N)=O)[N@@H+](C)Cc1cccc(N(C)C)c1	ZINC000159815789	323049353	/nfs/dbraw/zinc/04/93/53/323049353.db2.gz	ZIEIDAKDZLFHLT-SNVBAGLBSA-N	1	1	235.331	1.058	20	70		BDIDMO
CCCC1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1	ZINC000160553047	323071135	/nfs/dbraw/zinc/07/11/35/323071135.db2.gz	QNVAQILUBUWWEU-NSHDSACASA-N	1	1	240.347	1.014	20	70		BDIDMO
CCCC1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1	ZINC000160553047	323071136	/nfs/dbraw/zinc/07/11/36/323071136.db2.gz	QNVAQILUBUWWEU-NSHDSACASA-N	1	1	240.347	1.014	20	70		BDIDMO
CCc1noc(Cn2c[nH+]c3c2CCCC3)n1	ZINC000160726146	323103841	/nfs/dbraw/zinc/10/38/41/323103841.db2.gz	HVSQFEGLUDJOBH-UHFFFAOYSA-N	1	1	232.287	1.756	20	70		BDIDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCCCC1	ZINC000217401865	592107776	/nfs/dbraw/zinc/10/77/76/592107776.db2.gz	KCYLKNYOTTYFET-GFCCVEGCSA-N	1	1	241.379	1.912	20	70		BDIDMO
C[N@@H+]1CCC[C@@H]1CCN1CCN(C2CC2)CC1	ZINC000161495945	349465359	/nfs/dbraw/zinc/46/53/59/349465359.db2.gz	VCRYJBDEJNUDSA-CYBMUJFWSA-N	1	1	237.391	1.251	20	70		BDIDMO
C[N@H+]1CCC[C@@H]1CCN1CCN(C2CC2)CC1	ZINC000161495945	349465360	/nfs/dbraw/zinc/46/53/60/349465360.db2.gz	VCRYJBDEJNUDSA-CYBMUJFWSA-N	1	1	237.391	1.251	20	70		BDIDMO
Cc1nccc(N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)n1	ZINC000160425967	187301381	/nfs/dbraw/zinc/30/13/81/187301381.db2.gz	RJIMKIQSMSROJJ-JQWIXIFHSA-N	1	1	234.347	1.561	20	70		BDIDMO
CCOC(=O)CCC[N@@H+](C)C[C@H]1CCCO1	ZINC000160970878	349360463	/nfs/dbraw/zinc/36/04/63/349360463.db2.gz	QIROLWCRQPIIPO-LLVKDONJSA-N	1	1	229.320	1.441	20	70		BDIDMO
C[C@H]1CCC[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1	ZINC000161309320	349419839	/nfs/dbraw/zinc/41/98/39/349419839.db2.gz	QVYPOHXYNLHBPN-AVGNSLFASA-N	1	1	238.375	1.881	20	70		BDIDMO
C[C@@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)C(N)=O	ZINC000217698698	490481182	/nfs/dbraw/zinc/48/11/82/490481182.db2.gz	OGFDCEAOTQJVTE-XKSSXDPKSA-N	1	1	222.288	1.366	20	70		BDIDMO
CC[C@@H]1CCC[N@@H+](CCCCS(C)(=O)=O)C1	ZINC000161431736	538111613	/nfs/dbraw/zinc/11/16/13/538111613.db2.gz	UJNWUHTZCYODLH-GFCCVEGCSA-N	1	1	247.404	1.933	20	70		BDIDMO
COCC[N@@H+](Cc1nccn1C)CC(C)C	ZINC000160773868	358484442	/nfs/dbraw/zinc/48/44/42/358484442.db2.gz	BIFUPNOHXMUVJT-UHFFFAOYSA-N	1	1	225.336	1.525	20	70		BDIDMO
COCC[N@H+](Cc1nccn1C)CC(C)C	ZINC000160773868	358484447	/nfs/dbraw/zinc/48/44/47/358484447.db2.gz	BIFUPNOHXMUVJT-UHFFFAOYSA-N	1	1	225.336	1.525	20	70		BDIDMO
C[C@H]([NH3+])[C@@H]1CCN(CCC(F)(F)F)C1	ZINC000159505113	361241607	/nfs/dbraw/zinc/24/16/07/361241607.db2.gz	JZMAPIHAFUACTD-JGVFFNPUSA-N	1	1	210.243	1.608	20	70		BDIDMO
CCOC(=O)C[C@H](C)[N@@H+](C)CCSC	ZINC000160111764	361300004	/nfs/dbraw/zinc/30/00/04/361300004.db2.gz	OFGLTWGZCOABND-VIFPVBQESA-N	1	1	219.350	1.623	20	70		BDIDMO
CCC[N@@H+](CC(=O)OC)C[C@H]1CCC(C)(C)O1	ZINC000160825044	361329043	/nfs/dbraw/zinc/32/90/43/361329043.db2.gz	UTWQRQJCHYZZQD-LLVKDONJSA-N	1	1	243.347	1.829	20	70		BDIDMO
CCC[N@H+](CC(=O)OC)C[C@H]1CCC(C)(C)O1	ZINC000160825044	361329050	/nfs/dbraw/zinc/32/90/50/361329050.db2.gz	UTWQRQJCHYZZQD-LLVKDONJSA-N	1	1	243.347	1.829	20	70		BDIDMO
C[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)CC(C)(C)O1	ZINC000161465482	369098395	/nfs/dbraw/zinc/09/83/95/369098395.db2.gz	WLPBGGOHQRAMFM-OLZOCXBDSA-N	1	1	240.391	1.970	20	70		BDIDMO
CCC[N@@H+](CCO)Cc1cccc2c1OCO2	ZINC000161207613	169167334	/nfs/dbraw/zinc/16/73/34/169167334.db2.gz	LDLASNZEDMLHIC-UHFFFAOYSA-N	1	1	237.299	1.620	20	70		BDIDMO
C[C@H](O)C[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000159368187	384325304	/nfs/dbraw/zinc/32/53/04/384325304.db2.gz	UWWKNYNXBYYUTH-WCQYABFASA-N	1	1	248.326	1.105	20	70		BDIDMO
C[N@H+](Cc1ccccn1)[C@H]1CCCCNC1=O	ZINC000160295866	384400866	/nfs/dbraw/zinc/40/08/66/384400866.db2.gz	ZLNHISFOGSTROD-LBPRGKRZSA-N	1	1	233.315	1.182	20	70		BDIDMO
C[N@@H+](Cc1ccccn1)[C@H]1CCCCNC1=O	ZINC000160295866	384400873	/nfs/dbraw/zinc/40/08/73/384400873.db2.gz	ZLNHISFOGSTROD-LBPRGKRZSA-N	1	1	233.315	1.182	20	70		BDIDMO
CCCC[C@@H](C(=O)OC)[N@@H+](C)CC(C)(C)O	ZINC000160813430	384436196	/nfs/dbraw/zinc/43/61/96/384436196.db2.gz	MQGWHRCPNXQRIU-JTQLQIEISA-N	1	1	231.336	1.421	20	70		BDIDMO
CC[C@](C)(O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C	ZINC000161274479	384479396	/nfs/dbraw/zinc/47/93/96/384479396.db2.gz	MUACZSFLIAYLIY-KBPBESRZSA-N	1	1	242.407	1.954	20	70		BDIDMO
CC[C@](C)(O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C	ZINC000161274479	384479398	/nfs/dbraw/zinc/47/93/98/384479398.db2.gz	MUACZSFLIAYLIY-KBPBESRZSA-N	1	1	242.407	1.954	20	70		BDIDMO
CC[C@](C)(O)C[N@H+](C)CC[C@@H]1CCCCN1C	ZINC000161274479	384479401	/nfs/dbraw/zinc/47/94/01/384479401.db2.gz	MUACZSFLIAYLIY-KBPBESRZSA-N	1	1	242.407	1.954	20	70		BDIDMO
CC[C@](C)(O)C[N@@H+](C)CC[C@@H]1CCCCN1C	ZINC000161274479	384479406	/nfs/dbraw/zinc/47/94/06/384479406.db2.gz	MUACZSFLIAYLIY-KBPBESRZSA-N	1	1	242.407	1.954	20	70		BDIDMO
Cn1cccc1C(=O)Cn1c[nH+]c2c1CCCC2	ZINC000216892435	385874866	/nfs/dbraw/zinc/87/48/66/385874866.db2.gz	QHMOYWOXVUNXPF-UHFFFAOYSA-N	1	1	243.310	1.983	20	70		BDIDMO
C[C@@H](CCC(C)(C)C)NC(=O)[C@H]1CSC[NH2+]1	ZINC000161228535	386610296	/nfs/dbraw/zinc/61/02/96/386610296.db2.gz	JKUXDANCJMRVTO-VHSXEESVSA-N	1	1	244.404	1.980	20	70		BDIDMO
C[C@H]1C[N@@H+](CCOCC2CC2)CC(C)(C)O1	ZINC000159665241	388025858	/nfs/dbraw/zinc/02/58/58/388025858.db2.gz	HABHEFRSOVVEQJ-NSHDSACASA-N	1	1	227.348	1.912	20	70		BDIDMO
CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H](C)C1	ZINC000160470502	388068709	/nfs/dbraw/zinc/06/87/09/388068709.db2.gz	GHOBBGFYRVWHTD-GFCCVEGCSA-N	1	1	247.404	1.932	20	70		BDIDMO
C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O	ZINC000160535070	388072938	/nfs/dbraw/zinc/07/29/38/388072938.db2.gz	RFFNKVPHQKLESH-RFGFWPKPSA-N	1	1	240.391	1.467	20	70		BDIDMO
CCOC[C@H](C)NCC[N@H+](C)[C@H](C)CC	ZINC000160130985	388048355	/nfs/dbraw/zinc/04/83/55/388048355.db2.gz	ABXLWZIIHANIHS-NWDGAFQWSA-N	1	1	216.369	1.731	20	70		BDIDMO
CCOC[C@H](C)NCC[N@@H+](C)[C@H](C)CC	ZINC000160130985	388048359	/nfs/dbraw/zinc/04/83/59/388048359.db2.gz	ABXLWZIIHANIHS-NWDGAFQWSA-N	1	1	216.369	1.731	20	70		BDIDMO
Cc1nn(C)cc1C[NH2+]Cc1ccoc1	ZINC000160141590	388048633	/nfs/dbraw/zinc/04/86/33/388048633.db2.gz	ZMAUDHITZXKSFI-UHFFFAOYSA-N	1	1	205.261	1.611	20	70		BDIDMO
CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](O)C1	ZINC000218201660	388576558	/nfs/dbraw/zinc/57/65/58/388576558.db2.gz	PNPIVCPFONSZDM-GHMZBOCLSA-N	1	1	229.320	1.175	20	70		BDIDMO
CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](O)C1	ZINC000218201660	388576562	/nfs/dbraw/zinc/57/65/62/388576562.db2.gz	PNPIVCPFONSZDM-GHMZBOCLSA-N	1	1	229.320	1.175	20	70		BDIDMO
CCCC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](O)C1	ZINC000218201576	388578425	/nfs/dbraw/zinc/57/84/25/388578425.db2.gz	PNPIVCPFONSZDM-MNOVXSKESA-N	1	1	229.320	1.175	20	70		BDIDMO
CCCC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](O)C1	ZINC000218201576	388578427	/nfs/dbraw/zinc/57/84/27/388578427.db2.gz	PNPIVCPFONSZDM-MNOVXSKESA-N	1	1	229.320	1.175	20	70		BDIDMO
C[C@H](O)CCC[N@H+]1CCCO[C@@H](C)C1	ZINC000217595700	134248319	/nfs/dbraw/zinc/24/83/19/134248319.db2.gz	PKOHWPBKZKVVDU-QWRGUYRKSA-N	1	1	201.310	1.258	20	70		BDIDMO
CCc1ncnc(NC[C@H]2CCC[N@H+]2C)c1F	ZINC000217991342	172032142	/nfs/dbraw/zinc/03/21/42/172032142.db2.gz	ZUHLDGLZVMZLPQ-SECBINFHSA-N	1	1	238.310	1.684	20	70		BDIDMO
C[C@@H]1C[C@H](C)[N@@H+](Cc2cnc(N)s2)C1	ZINC000161298393	177316904	/nfs/dbraw/zinc/31/69/04/177316904.db2.gz	KUBIDTKLKSNXQK-SFYZADRCSA-N	1	1	211.334	1.956	20	70		BDIDMO
C[C@@H]([NH2+]CCCS(C)(=O)=O)c1cscn1	ZINC000161185324	323037735	/nfs/dbraw/zinc/03/77/35/323037735.db2.gz	TUTRFZJIFDLUJG-MRVPVSSYSA-N	1	1	248.373	1.228	20	70		BDIDMO
C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccn(C)c1	ZINC000159575197	323038327	/nfs/dbraw/zinc/03/83/27/323038327.db2.gz	HCAWKMJHWOVMID-PWSUYJOCSA-N	1	1	235.331	1.111	20	70		BDIDMO
CC(C)C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+]1C	ZINC000159710369	323044431	/nfs/dbraw/zinc/04/44/31/323044431.db2.gz	BXCQTDOJEFVKII-NEPJUHHUSA-N	1	1	241.379	1.814	20	70		BDIDMO
NC(=O)[C@@H]1CCC[N@H+]1CC1CCCCCC1	ZINC000160364113	323075428	/nfs/dbraw/zinc/07/54/28/323075428.db2.gz	VUTSKZSCHNFTFK-LBPRGKRZSA-N	1	1	224.348	1.907	20	70		BDIDMO
Cn1cnnc1C[N@H+]1CCC[C@H]1C1CCCC1	ZINC000160830396	323136676	/nfs/dbraw/zinc/13/66/76/323136676.db2.gz	AVSJXZISWDAZOM-LBPRGKRZSA-N	1	1	234.347	1.970	20	70		BDIDMO
CC[NH+]1CCN(C(=O)NCC2CCCC2)CC1	ZINC000217574010	535624864	/nfs/dbraw/zinc/62/48/64/535624864.db2.gz	WYGMDTZAOKZONR-UHFFFAOYSA-N	1	1	239.363	1.524	20	70		BDIDMO
CC[N@@H+](CCNc1cc(F)ncn1)C1CC1	ZINC000218654524	592170685	/nfs/dbraw/zinc/17/06/85/592170685.db2.gz	GVXPJMMSSINCSV-UHFFFAOYSA-N	1	1	224.283	1.512	20	70		BDIDMO
C[C@H](N[C@@H]1CCC[N@@H+](C)C1)c1cscn1	ZINC000161161935	538914699	/nfs/dbraw/zinc/91/46/99/538914699.db2.gz	IXVQPHXMVBPYLN-VHSXEESVSA-N	1	1	225.361	1.888	20	70		BDIDMO
C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1cscn1	ZINC000161161935	538914701	/nfs/dbraw/zinc/91/47/01/538914701.db2.gz	IXVQPHXMVBPYLN-VHSXEESVSA-N	1	1	225.361	1.888	20	70		BDIDMO
COC(C[N@H+]1CCS[C@@H]2CCCC[C@@H]21)OC	ZINC000161494518	349465500	/nfs/dbraw/zinc/46/55/00/349465500.db2.gz	KFSJNJXKRPYWKK-WDEREUQCSA-N	1	1	245.388	1.965	20	70		BDIDMO
CCCC1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1	ZINC000160553155	323071130	/nfs/dbraw/zinc/07/11/30/323071130.db2.gz	QNVAQILUBUWWEU-LLVKDONJSA-N	1	1	240.347	1.014	20	70		BDIDMO
CCCC1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1	ZINC000160553155	323071131	/nfs/dbraw/zinc/07/11/31/323071131.db2.gz	QNVAQILUBUWWEU-LLVKDONJSA-N	1	1	240.347	1.014	20	70		BDIDMO
c1cnc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cn1	ZINC000217360266	346501826	/nfs/dbraw/zinc/50/18/26/346501826.db2.gz	VZXCMEKDXZEQSD-MNOVXSKESA-N	1	1	218.304	1.515	20	70		BDIDMO
COC(C[N@H+]1CCC[C@H]1C1CCC1)OC	ZINC000160887078	349331034	/nfs/dbraw/zinc/33/10/34/349331034.db2.gz	HCKQUJAAKKUSIR-NSHDSACASA-N	1	1	213.321	1.870	20	70		BDIDMO
C[C@H]1CCC[C@H](CO)[N@H+]1CCC(C)(C)O	ZINC000161242030	349414981	/nfs/dbraw/zinc/41/49/81/349414981.db2.gz	GCNMWOYLQXCPNM-WDEREUQCSA-N	1	1	215.337	1.383	20	70		BDIDMO
CCc1ncnc(NCC[N@@H+](C)C(C)C)c1F	ZINC000218001632	134251596	/nfs/dbraw/zinc/25/15/96/134251596.db2.gz	LNGYRBMUACIGSU-UHFFFAOYSA-N	1	1	240.326	1.930	20	70		BDIDMO
CCOCCC[N@H+]1CC[C@H]([C@@H](C)O)C1	ZINC000159472127	361238674	/nfs/dbraw/zinc/23/86/74/361238674.db2.gz	UIEBDWOIIHTFOR-MNOVXSKESA-N	1	1	201.310	1.116	20	70		BDIDMO
C[C@H]([NH3+])[C@H]1CCN(CCC(F)(F)F)C1	ZINC000159505378	361241519	/nfs/dbraw/zinc/24/15/19/361241519.db2.gz	JZMAPIHAFUACTD-YUMQZZPRSA-N	1	1	210.243	1.608	20	70		BDIDMO
C[C@@]1(O)CCC[N@@H+](CC2(O)CCCC2)C1	ZINC000161000626	361335191	/nfs/dbraw/zinc/33/51/91/361335191.db2.gz	FDNBWBSRKLHGSG-LLVKDONJSA-N	1	1	213.321	1.138	20	70		BDIDMO
CCC[N@H+]1CCCN(C(=O)[C@H](C)SC)CC1	ZINC000160394992	169193419	/nfs/dbraw/zinc/19/34/19/169193419.db2.gz	ZQEUYYGICKRNGI-NSHDSACASA-N	1	1	244.404	1.682	20	70		BDIDMO
CC[C@@H]1C[N@@H+](C[C@](C)(O)CC)C[C@H](C)O1	ZINC000161056292	384461521	/nfs/dbraw/zinc/46/15/21/384461521.db2.gz	RZMSSWBCTMDXHK-QJPTWQEYSA-N	1	1	215.337	1.647	20	70		BDIDMO
CC(C)OCCC[N@@H+](C)[C@@H]1CCCCNC1=O	ZINC000160299955	384674967	/nfs/dbraw/zinc/67/49/67/384674967.db2.gz	AMLIFOUMFNUDQT-GFCCVEGCSA-N	1	1	242.363	1.402	20	70		BDIDMO
CCN(C)C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C	ZINC000160679505	387493716	/nfs/dbraw/zinc/49/37/16/387493716.db2.gz	YOJCELQVIKDIPR-RYUDHWBXSA-N	1	1	239.363	1.617	20	70		BDIDMO
C[C@H](O)C[C@H]1CCC[N@H+]1C[C@@H]1CCCO1	ZINC000159369190	388009205	/nfs/dbraw/zinc/00/92/05/388009205.db2.gz	KJEHMMCXFOGKFI-TUAOUCFPSA-N	1	1	213.321	1.401	20	70		BDIDMO
C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cscn1	ZINC000159372650	388011778	/nfs/dbraw/zinc/01/17/78/388011778.db2.gz	LSPKEDCGFLVZCU-ONGXEEELSA-N	1	1	226.345	1.878	20	70		BDIDMO
Cc1nc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)oc1C	ZINC000159864468	388035356	/nfs/dbraw/zinc/03/53/56/388035356.db2.gz	TZIPOAGBOJRGOL-NEPJUHHUSA-N	1	1	238.331	1.884	20	70		BDIDMO
Cc1nc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)oc1C	ZINC000159864468	388035360	/nfs/dbraw/zinc/03/53/60/388035360.db2.gz	TZIPOAGBOJRGOL-NEPJUHHUSA-N	1	1	238.331	1.884	20	70		BDIDMO
CC[N@@H+](CCCS(=O)(=O)C(C)C)C1CC1	ZINC000160766191	388088168	/nfs/dbraw/zinc/08/81/68/388088168.db2.gz	HUSIGIHBESYFEA-UHFFFAOYSA-N	1	1	233.377	1.684	20	70		BDIDMO
CC[C@@H](C)[N@@H+](C)CCN[C@@H](CC)COC	ZINC000160143059	388047908	/nfs/dbraw/zinc/04/79/08/388047908.db2.gz	IWYNZADUGIKWQQ-NEPJUHHUSA-N	1	1	216.369	1.731	20	70		BDIDMO
CC[C@@H](C)[N@H+](C)CCN[C@@H](CC)COC	ZINC000160143059	388047912	/nfs/dbraw/zinc/04/79/12/388047912.db2.gz	IWYNZADUGIKWQQ-NEPJUHHUSA-N	1	1	216.369	1.731	20	70		BDIDMO
COc1ccccc1C[C@@H](C)[NH2+]C[C@@H](C)N	ZINC000218300683	487647277	/nfs/dbraw/zinc/64/72/77/487647277.db2.gz	UDXOIFGYNFHNMC-GHMZBOCLSA-N	1	1	222.332	1.563	20	70		BDIDMO
C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cncs1	ZINC000159538839	323036005	/nfs/dbraw/zinc/03/60/05/323036005.db2.gz	NVVAXINXUMBKQP-DTWKUNHWSA-N	1	1	239.344	1.229	20	70		BDIDMO
CC1CCC(C[N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000160375032	323065441	/nfs/dbraw/zinc/06/54/41/323065441.db2.gz	MFBOJFSUGDXNPC-MCIGGMRASA-N	1	1	224.348	1.762	20	70		BDIDMO
Cn1cnnc1C[N@H+]1CC[C@H](c2ccccc2)C1	ZINC000160875143	323137818	/nfs/dbraw/zinc/13/78/18/323137818.db2.gz	MFVJRSSGIOXWPO-ZDUSSCGKSA-N	1	1	242.326	1.805	20	70		BDIDMO
CS[C@@H](C)CC(=O)N1CC[NH+](C2CC2)CC1	ZINC000161407816	323512118	/nfs/dbraw/zinc/51/21/18/323512118.db2.gz	INYALPZLFXCGDK-JTQLQIEISA-N	1	1	242.388	1.435	20	70		BDIDMO
[NH3+]C[C@H]1CCC[C@H]1NCc1ccc(Cl)nc1	ZINC000216715083	592072511	/nfs/dbraw/zinc/07/25/11/592072511.db2.gz	GUHNBXGHKHHQCL-GHMZBOCLSA-N	1	1	239.750	1.952	20	70		BDIDMO
O[C@@H](C[N@H+]1CCO[C@@H]2CCC[C@@H]21)c1ccccc1	ZINC000217900449	592150854	/nfs/dbraw/zinc/15/08/54/592150854.db2.gz	ROZKJHZASDTQKP-SOUVJXGZSA-N	1	1	247.338	1.973	20	70		BDIDMO
CCc1nnc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)[nH]1	ZINC000159414382	136214364	/nfs/dbraw/zinc/21/43/64/136214364.db2.gz	ZBFACKWILRABGF-SECBINFHSA-N	1	1	238.335	1.102	20	70		BDIDMO
CCc1nnc(C[N@H+]2CCC[C@@H]2C(C)(C)O)[nH]1	ZINC000159414382	136214365	/nfs/dbraw/zinc/21/43/65/136214365.db2.gz	ZBFACKWILRABGF-SECBINFHSA-N	1	1	238.335	1.102	20	70		BDIDMO
COCC[C@@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1	ZINC000218651824	343215788	/nfs/dbraw/zinc/21/57/88/343215788.db2.gz	HKDKBFXDGHKVAP-MNOVXSKESA-N	1	1	200.326	1.082	20	70		BDIDMO
CC[C@@H](C)OCC(=O)NC[C@H]1CC[N@@H+](CC)C1	ZINC000160122536	323061026	/nfs/dbraw/zinc/06/10/26/323061026.db2.gz	GBAPSNYEUWZZRF-VXGBXAGGSA-N	1	1	242.363	1.260	20	70		BDIDMO
COC(=O)C1([N@@H+](C)CCC(C)(C)O)CCCC1	ZINC000159366864	345427647	/nfs/dbraw/zinc/42/76/47/345427647.db2.gz	RGXYRJSFSPTKSB-UHFFFAOYSA-N	1	1	243.347	1.565	20	70		BDIDMO
CCOC(C)(C)CNc1cc[nH+]c(N(C)C)n1	ZINC000159543636	345442182	/nfs/dbraw/zinc/44/21/82/345442182.db2.gz	XBYHUTQCWGVGIB-UHFFFAOYSA-N	1	1	238.335	1.770	20	70		BDIDMO
Cc1cccc([C@@H]2CCC[N@H+]2CCO)n1	ZINC000159834002	345558354	/nfs/dbraw/zinc/55/83/54/345558354.db2.gz	DZDVMWQXTYBGGY-LBPRGKRZSA-N	1	1	206.289	1.519	20	70		BDIDMO
Cc1cccc(CCC[N@@H+](C)CCO)c1	ZINC000159452084	179053980	/nfs/dbraw/zinc/05/39/80/179053980.db2.gz	NLVBQVVOPMSDCF-UHFFFAOYSA-N	1	1	207.317	1.852	20	70		BDIDMO
CCC(CC)NC(=O)N1CC[NH+](C)CC1	ZINC000217304940	535062914	/nfs/dbraw/zinc/06/29/14/535062914.db2.gz	BFYTVMAJNGTFJM-UHFFFAOYSA-N	1	1	213.325	1.132	20	70		BDIDMO
C[C@@H]1CCC[C@H](CO)[N@H+]1CCC(C)(C)O	ZINC000161241945	349414833	/nfs/dbraw/zinc/41/48/33/349414833.db2.gz	GCNMWOYLQXCPNM-GHMZBOCLSA-N	1	1	215.337	1.383	20	70		BDIDMO
C[C@@H]1CCC[C@@H](CO)[N@H+]1CCC(C)(C)O	ZINC000161242191	349414973	/nfs/dbraw/zinc/41/49/73/349414973.db2.gz	GCNMWOYLQXCPNM-MNOVXSKESA-N	1	1	215.337	1.383	20	70		BDIDMO
CCSCC[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C	ZINC000160528099	357035926	/nfs/dbraw/zinc/03/59/26/357035926.db2.gz	ZSILLHCAEBKQKY-UWVGGRQHSA-N	1	1	230.377	1.325	20	70		BDIDMO
C[C@@H]([NH3+])[C@H]1CCN(CCC(F)(F)F)C1	ZINC000159505520	361243187	/nfs/dbraw/zinc/24/31/87/361243187.db2.gz	JZMAPIHAFUACTD-SFYZADRCSA-N	1	1	210.243	1.608	20	70		BDIDMO
CCC1(CNC(=O)[C@@H]2CSC[NH2+]2)CCC1	ZINC000159633301	361274396	/nfs/dbraw/zinc/27/43/96/361274396.db2.gz	VDYCGDMOGDUVIX-VIFPVBQESA-N	1	1	228.361	1.345	20	70		BDIDMO
COC(=O)[C@H](C1CC1)[N@H+]1CC[C@@H](C(C)C)C1	ZINC000159600874	361260338	/nfs/dbraw/zinc/26/03/38/361260338.db2.gz	OFWOMAMDOCNGDI-NEPJUHHUSA-N	1	1	225.332	1.916	20	70		BDIDMO
CC[C@@H](C(N)=O)[N@@H+](C)Cc1cccc(N(C)C)c1	ZINC000159825276	384359825	/nfs/dbraw/zinc/35/98/25/384359825.db2.gz	DWTLZRDGVSZMRT-ZDUSSCGKSA-N	1	1	249.358	1.448	20	70		BDIDMO
CCOCCC[N@H+]1CCS[C@H](C)C1	ZINC000160584802	384421710	/nfs/dbraw/zinc/42/17/10/384421710.db2.gz	LHBVFGDVYDIMJU-SNVBAGLBSA-N	1	1	203.351	1.850	20	70		BDIDMO
CC(C)OCCC[N@@H+](C)C[C@@H]1CCC[C@@H]1O	ZINC000159475570	384427988	/nfs/dbraw/zinc/42/79/88/384427988.db2.gz	YNKRLNMOJKCIRS-STQMWFEESA-N	1	1	229.364	1.894	20	70		BDIDMO
c1cn(CC[N@H+]2CCCSCC2)cn1	ZINC000161482880	384493341	/nfs/dbraw/zinc/49/33/41/384493341.db2.gz	JKRPELUXLCNUPP-UHFFFAOYSA-N	1	1	211.334	1.322	20	70		BDIDMO
CC[C@](C)(O)C[N@@H+]1CC[C@H](CN(C)C)C1	ZINC000161105708	385218877	/nfs/dbraw/zinc/21/88/77/385218877.db2.gz	QEDCZNFWWCYMOQ-NEPJUHHUSA-N	1	1	214.353	1.031	20	70		BDIDMO
CC[C@](C)(O)C[N@H+]1CC[C@H](CN(C)C)C1	ZINC000161105708	385218891	/nfs/dbraw/zinc/21/88/91/385218891.db2.gz	QEDCZNFWWCYMOQ-NEPJUHHUSA-N	1	1	214.353	1.031	20	70		BDIDMO
CCN(CCO)c1cc[nH+]cc1Br	ZINC000159936350	388038460	/nfs/dbraw/zinc/03/84/60/388038460.db2.gz	BBHDVTNIBLOTAS-UHFFFAOYSA-N	1	1	245.120	1.663	20	70		BDIDMO
CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@H](C)C1	ZINC000160470612	388069115	/nfs/dbraw/zinc/06/91/15/388069115.db2.gz	GHOBBGFYRVWHTD-LBPRGKRZSA-N	1	1	247.404	1.932	20	70		BDIDMO
C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](O)C1	ZINC000217725043	388570798	/nfs/dbraw/zinc/57/07/98/388570798.db2.gz	KPKYJGIGORPMKE-NXEZZACHSA-N	1	1	229.320	1.173	20	70		BDIDMO
C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](O)C1	ZINC000217725043	388570799	/nfs/dbraw/zinc/57/07/99/388570799.db2.gz	KPKYJGIGORPMKE-NXEZZACHSA-N	1	1	229.320	1.173	20	70		BDIDMO
CCOC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](C)C1	ZINC000217584745	134248185	/nfs/dbraw/zinc/24/81/85/134248185.db2.gz	GIHNKHVYABHMAP-UWVGGRQHSA-N	1	1	215.293	1.049	20	70		BDIDMO
CCOC(=O)[C@H](C)[N@H+]1CCCO[C@@H](C)C1	ZINC000217584745	134248186	/nfs/dbraw/zinc/24/81/86/134248186.db2.gz	GIHNKHVYABHMAP-UWVGGRQHSA-N	1	1	215.293	1.049	20	70		BDIDMO
COc1cccc(C[N@H+]2CC[C@H](O)[C@H](C)C2)n1	ZINC000159442203	397946587	/nfs/dbraw/zinc/94/65/87/397946587.db2.gz	QVRXHUYZAQXFME-PWSUYJOCSA-N	1	1	236.315	1.293	20	70		BDIDMO
C[C@@H](N)C[NH2+]C1C2CC3CC(C2)CC1C3	ZINC000216715287	411590806	/nfs/dbraw/zinc/59/08/06/411590806.db2.gz	OEBFWHMMZGQAGK-GLFGPFBSSA-N	1	1	208.349	1.748	20	70		BDIDMO
CN1CC[N@@H+](CCC(C)(C)C)CCC1=O	ZINC000218471054	411897877	/nfs/dbraw/zinc/89/78/77/411897877.db2.gz	VCPYYRXBJFWFQQ-UHFFFAOYSA-N	1	1	212.337	1.587	20	70		BDIDMO
COc1ccccc1C[C@H](C)[NH2+]C[C@H](C)N	ZINC000218300756	487647540	/nfs/dbraw/zinc/64/75/40/487647540.db2.gz	UDXOIFGYNFHNMC-QWRGUYRKSA-N	1	1	222.332	1.563	20	70		BDIDMO
C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cncs1	ZINC000159538558	323035950	/nfs/dbraw/zinc/03/59/50/323035950.db2.gz	NVVAXINXUMBKQP-BDAKNGLRSA-N	1	1	239.344	1.229	20	70		BDIDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)C1(C)CC1	ZINC000159573222	323038403	/nfs/dbraw/zinc/03/84/03/323038403.db2.gz	VAGATSMPSCAHRB-SNVBAGLBSA-N	1	1	210.321	1.387	20	70		BDIDMO
CCC[N@@H+](CC)CCNC(=O)[C@@H]1CC1(C)C	ZINC000159913062	323053723	/nfs/dbraw/zinc/05/37/23/323053723.db2.gz	FYSIFLBYQJOWEC-NSHDSACASA-N	1	1	226.364	1.881	20	70		BDIDMO
CN(C)C(=O)C[N@@H+](C)CCC(C)(C)C	ZINC000161256447	323075821	/nfs/dbraw/zinc/07/58/21/323075821.db2.gz	IDETXUKBLXPXNA-UHFFFAOYSA-N	1	1	200.326	1.443	20	70		BDIDMO
C(c1nnnn1C1CC1)[N@H+]1CC[C@@H]2CCCC[C@@H]21	ZINC000159695176	488076180	/nfs/dbraw/zinc/07/61/80/488076180.db2.gz	MXHBXNDRNOOZEI-JQWIXIFHSA-N	1	1	247.346	1.773	20	70		BDIDMO
COC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000217723947	536880903	/nfs/dbraw/zinc/88/09/03/536880903.db2.gz	DXLWTMALUFKTIF-MNOVXSKESA-N	1	1	240.347	1.107	20	70		BDIDMO
c1[nH+]c2c(n1CCC1OCCCO1)CCCC2	ZINC000216887578	592089439	/nfs/dbraw/zinc/08/94/39/592089439.db2.gz	BDCOIVOAMHCIAO-UHFFFAOYSA-N	1	1	236.315	1.915	20	70		BDIDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCCS(C)(=O)=O)C1	ZINC000161085434	538913963	/nfs/dbraw/zinc/91/39/63/538913963.db2.gz	YOQDXYIQMNCWGT-TXEJJXNPSA-N	1	1	247.404	1.789	20	70		BDIDMO
CCCC[C@@H](C(=O)OC)[N@@H+]1CCCOCC1	ZINC000160799056	343082426	/nfs/dbraw/zinc/08/24/26/343082426.db2.gz	FBKCQYMLTHAUEA-NSHDSACASA-N	1	1	229.320	1.441	20	70		BDIDMO
CCCC[C@@H](C(=O)OC)[N@H+]1CCCOCC1	ZINC000160799056	343082427	/nfs/dbraw/zinc/08/24/27/343082427.db2.gz	FBKCQYMLTHAUEA-NSHDSACASA-N	1	1	229.320	1.441	20	70		BDIDMO
CC(C)N(C(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O)C(C)C	ZINC000159392008	345429839	/nfs/dbraw/zinc/42/98/39/345429839.db2.gz	JBNBHKJVZJSDNU-VXGBXAGGSA-N	1	1	244.379	1.333	20	70		BDIDMO
C[C@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@H]1CC=CCC1	ZINC000159530101	345441335	/nfs/dbraw/zinc/44/13/35/345441335.db2.gz	WDVXBRDONMOOLJ-AVGNSLFASA-N	1	1	236.359	1.929	20	70		BDIDMO
Cc1[nH]ncc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	ZINC000159568763	345443721	/nfs/dbraw/zinc/44/37/21/345443721.db2.gz	BEWCGMKGGCIJEE-XQQFMLRXSA-N	1	1	247.342	1.765	20	70		BDIDMO
CCC[N@H+]1CCCN(C(=O)[C@H](C)CC)CC1	ZINC000160354593	347572633	/nfs/dbraw/zinc/57/26/33/347572633.db2.gz	ZMWSXDUEGQZRIE-GFCCVEGCSA-N	1	1	226.364	1.977	20	70		BDIDMO
CCOC(=O)CCC[N@@H+](C)C[C@@H]1CCCO1	ZINC000160970749	349360572	/nfs/dbraw/zinc/36/05/72/349360572.db2.gz	QIROLWCRQPIIPO-NSHDSACASA-N	1	1	229.320	1.441	20	70		BDIDMO
Cc1nccn1CCC[N@H+]1CCC[C@H](CO)C1	ZINC000161270014	349413789	/nfs/dbraw/zinc/41/37/89/349413789.db2.gz	CAYXBSSAWXMHBI-ZDUSSCGKSA-N	1	1	237.347	1.286	20	70		BDIDMO
Cc1ncc([C@H](C)NC2CC[NH+](C)CC2)c(C)n1	ZINC000161456573	180174285	/nfs/dbraw/zinc/17/42/85/180174285.db2.gz	IIBVWDKECCLBTF-NSHDSACASA-N	1	1	248.374	1.838	20	70		BDIDMO
Cc1[nH+]ccn1CCS[C@@H](C)[C@@H](C)O	ZINC000217974705	180263241	/nfs/dbraw/zinc/26/32/41/180263241.db2.gz	NMZUTTLHWHYAOE-BDAKNGLRSA-N	1	1	214.334	1.694	20	70		BDIDMO
CCOCCC[N@H+]1CCCN(C(=O)CC)CC1	ZINC000159469304	350541575	/nfs/dbraw/zinc/54/15/75/350541575.db2.gz	LLKXHXPZBXAQHB-UHFFFAOYSA-N	1	1	242.363	1.357	20	70		BDIDMO
CC[N@@H+](C[C@@H](C)CO)C[C@H]1CCCO1	ZINC000160935858	538456121	/nfs/dbraw/zinc/45/61/21/538456121.db2.gz	FIWHTGXGIFZVLM-GHMZBOCLSA-N	1	1	201.310	1.116	20	70		BDIDMO
CCSCC[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C	ZINC000160527964	357035966	/nfs/dbraw/zinc/03/59/66/357035966.db2.gz	ZSILLHCAEBKQKY-VHSXEESVSA-N	1	1	230.377	1.325	20	70		BDIDMO
O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)N1CCCC1	ZINC000160544215	357049459	/nfs/dbraw/zinc/04/94/59/357049459.db2.gz	ZJTPNGHLBCDCCU-STQMWFEESA-N	1	1	236.359	1.873	20	70		BDIDMO
CCN(CC)C(=O)N1CC[N@@H+](CC)[C@H](C)C1	ZINC000159771397	538879100	/nfs/dbraw/zinc/87/91/00/538879100.db2.gz	YWYKFGRBBYZEKH-LLVKDONJSA-N	1	1	227.352	1.474	20	70		BDIDMO
C[N@H+](Cc1cncs1)CC1CC(O)C1	ZINC000159752178	538879211	/nfs/dbraw/zinc/87/92/11/538879211.db2.gz	VURGQGPKWMYJGU-UHFFFAOYSA-N	1	1	212.318	1.346	20	70		BDIDMO
C[C@@H]1C[N@@H+](C[C@@H](O)C(C)(C)C)CCCO1	ZINC000217601057	134249357	/nfs/dbraw/zinc/24/93/57/134249357.db2.gz	OEYJKBFYAOBGPM-GHMZBOCLSA-N	1	1	215.337	1.504	20	70		BDIDMO
CC[C@@H](CSC)[N@@H+](C)C[C@H](O)C(F)(F)F	ZINC000159670214	361279394	/nfs/dbraw/zinc/27/93/94/361279394.db2.gz	VPLYGTVPXKAKEY-YUMQZZPRSA-N	1	1	245.310	1.983	20	70		BDIDMO
CC[N@H+](CCCO)[C@H](C)C(=O)OC(C)(C)C	ZINC000160731539	361324729	/nfs/dbraw/zinc/32/47/29/361324729.db2.gz	HZXAELLWLFXECV-SNVBAGLBSA-N	1	1	231.336	1.421	20	70		BDIDMO
CC[N@@H+](CCCO)[C@H](C)C(=O)OC(C)(C)C	ZINC000160731539	361324733	/nfs/dbraw/zinc/32/47/33/361324733.db2.gz	HZXAELLWLFXECV-SNVBAGLBSA-N	1	1	231.336	1.421	20	70		BDIDMO
C[N@H+]1CCC[C@@H]1CNc1ncnc2c1CCCC2	ZINC000217802054	372014471	/nfs/dbraw/zinc/01/44/71/372014471.db2.gz	DZTIUTIZCPQGAT-LLVKDONJSA-N	1	1	246.358	1.862	20	70		BDIDMO
CC[C@H](C)[N@@H+](C)CCNCc1nccs1	ZINC000218184945	372078737	/nfs/dbraw/zinc/07/87/37/372078737.db2.gz	HPUZFBDFEKZXIG-JTQLQIEISA-N	1	1	227.377	1.963	20	70		BDIDMO
C[N@@H+](Cc1cc(O)cc(F)c1)[C@@H]1CCOC1	ZINC000159850008	384363103	/nfs/dbraw/zinc/36/31/03/384363103.db2.gz	FCIPVOOAOQMRAT-LLVKDONJSA-N	1	1	225.263	1.752	20	70		BDIDMO
CC[N@@H+](CCC(=O)OC)CCc1nccs1	ZINC000159433959	384330787	/nfs/dbraw/zinc/33/07/87/384330787.db2.gz	UQKRLMFCXVVUJV-UHFFFAOYSA-N	1	1	242.344	1.571	20	70		BDIDMO
CCOC[C@H]1CC[N@@H+](C[C@](C)(O)CC)C1	ZINC000161394182	384999266	/nfs/dbraw/zinc/99/92/66/384999266.db2.gz	HJRXPSBFUOQRCK-NWDGAFQWSA-N	1	1	215.337	1.506	20	70		BDIDMO
C[NH+](C)[C@@H](CNC(=O)C(F)F)c1ccco1	ZINC000217612121	385888515	/nfs/dbraw/zinc/88/85/15/385888515.db2.gz	PHCTWMOIBSQWMG-ZETCQYMHSA-N	1	1	232.230	1.264	20	70		BDIDMO
C[C@@]1(C(N)=O)CC[N@@H+](Cc2ccccc2)C1	ZINC000216636795	385870180	/nfs/dbraw/zinc/87/01/80/385870180.db2.gz	OKVOKQMZUHNWRE-CYBMUJFWSA-N	1	1	218.300	1.384	20	70		BDIDMO
CC[C@H]([NH2+][C@@H](C)C(N)=O)c1ccc(F)cc1F	ZINC000160694094	397771791	/nfs/dbraw/zinc/77/17/91/397771791.db2.gz	LPCKFCOTDULFHM-CPCISQLKSA-N	1	1	242.269	1.879	20	70		BDIDMO
CCC(=O)N[C@@H]1CCC[N@@H+](C[C@](C)(O)CC)C1	ZINC000160758072	168237253	/nfs/dbraw/zinc/23/72/53/168237253.db2.gz	WDIRJGYFOOUBQI-DGCLKSJQSA-N	1	1	242.363	1.138	20	70		BDIDMO
CCc1ncnc(NC[C@H]2CC[N@@H+](C)C2)c1F	ZINC000218005551	172032119	/nfs/dbraw/zinc/03/21/19/172032119.db2.gz	YZIPPHKTMSUKNY-SECBINFHSA-N	1	1	238.310	1.542	20	70		BDIDMO
C[C@H]1C[N@@H+](CCn2ccnc2)CC(C)(C)O1	ZINC000161466086	177255349	/nfs/dbraw/zinc/25/53/49/177255349.db2.gz	WYZSQRMVXCAGJK-NSHDSACASA-N	1	1	223.320	1.382	20	70		BDIDMO
COCCCCCSCC[NH+]1CCOCC1	ZINC000159807298	323049056	/nfs/dbraw/zinc/04/90/56/323049056.db2.gz	ICRPRMUYANWXKV-UHFFFAOYSA-N	1	1	247.404	1.869	20	70		BDIDMO
CCCCOCCSCC[NH+]1CCOCC1	ZINC000159891014	323052359	/nfs/dbraw/zinc/05/23/59/323052359.db2.gz	WCWUZTJHTFSACB-UHFFFAOYSA-N	1	1	247.404	1.869	20	70		BDIDMO
C[N@H+]1CCC[C@@H]1CNC(=O)NC1(C)CCC1	ZINC000160032806	323058235	/nfs/dbraw/zinc/05/82/35/323058235.db2.gz	LAKOSTUOOCYYNP-SNVBAGLBSA-N	1	1	225.336	1.322	20	70		BDIDMO
CC[C@H](C)C[N@@H+](CC)CC1(O)CCOCC1	ZINC000160557723	323071333	/nfs/dbraw/zinc/07/13/33/323071333.db2.gz	CZNBVXXGAUOFTB-LBPRGKRZSA-N	1	1	229.364	1.896	20	70		BDIDMO
CS[C@@H](C)CC(=O)NC[C@H]1CC[N@@H+](C)C1	ZINC000160655033	323076305	/nfs/dbraw/zinc/07/63/05/323076305.db2.gz	BVCXFVCDVYFFHZ-VHSXEESVSA-N	1	1	230.377	1.196	20	70		BDIDMO
CCCNC(=O)[C@@H](C)[N@H+](CC)Cc1ccccn1	ZINC000161054982	323145068	/nfs/dbraw/zinc/14/50/68/323145068.db2.gz	CMBNCZMHATUUQE-GFCCVEGCSA-N	1	1	249.358	1.818	20	70		BDIDMO
CCCNC(=O)[C@@H](C)[N@@H+](CC)Cc1ccccn1	ZINC000161054982	323145069	/nfs/dbraw/zinc/14/50/69/323145069.db2.gz	CMBNCZMHATUUQE-GFCCVEGCSA-N	1	1	249.358	1.818	20	70		BDIDMO
C[C@@H](CO)C[N@H+]1CCC[C@H](C(F)(F)F)C1	ZINC000160906667	538913226	/nfs/dbraw/zinc/91/32/26/538913226.db2.gz	RUUSXRIFVXZELD-BDAKNGLRSA-N	1	1	225.254	1.889	20	70		BDIDMO
CC[C@@](C)(O)C[NH+]1CCC(c2nc[nH]n2)CC1	ZINC000161488673	349463721	/nfs/dbraw/zinc/46/37/21/349463721.db2.gz	MFLXZZUPULPFDB-GFCCVEGCSA-N	1	1	238.335	1.145	20	70		BDIDMO
CC[C@](C)(O)C[N@@H+]1CCO[C@H](c2ccco2)C1	ZINC000161500256	349466376	/nfs/dbraw/zinc/46/63/76/349466376.db2.gz	VWQFMIFXTVRPLP-STQMWFEESA-N	1	1	239.315	1.814	20	70		BDIDMO
CC[C@](C)(O)C[N@H+]1CCO[C@H](c2ccco2)C1	ZINC000161500256	349466380	/nfs/dbraw/zinc/46/63/80/349466380.db2.gz	VWQFMIFXTVRPLP-STQMWFEESA-N	1	1	239.315	1.814	20	70		BDIDMO
Cc1cc(NC(=O)C[NH+](C)C)ccc1O	ZINC000160666611	178131359	/nfs/dbraw/zinc/13/13/59/178131359.db2.gz	KIAPPNPNBWZHID-UHFFFAOYSA-N	1	1	208.261	1.201	20	70		BDIDMO
NC(=O)[C@H]1CCC[N@H+]1CC1CCCCCC1	ZINC000160363985	136221647	/nfs/dbraw/zinc/22/16/47/136221647.db2.gz	VUTSKZSCHNFTFK-GFCCVEGCSA-N	1	1	224.348	1.907	20	70		BDIDMO
CCOCCC[N@H+]1CCC[C@H](CNC(C)=O)C1	ZINC000159731563	345509521	/nfs/dbraw/zinc/50/95/21/345509521.db2.gz	INXWCWMAFUUIMR-CYBMUJFWSA-N	1	1	242.363	1.261	20	70		BDIDMO
CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(OC)OC	ZINC000161474709	346216430	/nfs/dbraw/zinc/21/64/30/346216430.db2.gz	PRSKNJYEURIVPM-NEPJUHHUSA-N	1	1	242.363	1.164	20	70		BDIDMO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(OC)OC	ZINC000161474709	346216432	/nfs/dbraw/zinc/21/64/32/346216432.db2.gz	PRSKNJYEURIVPM-NEPJUHHUSA-N	1	1	242.363	1.164	20	70		BDIDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(OC)OC	ZINC000161474709	346216436	/nfs/dbraw/zinc/21/64/36/346216436.db2.gz	PRSKNJYEURIVPM-NEPJUHHUSA-N	1	1	242.363	1.164	20	70		BDIDMO
CCOCCC[N@H+]1CCC[C@@H](NC(=O)CC)C1	ZINC000159943665	351124417	/nfs/dbraw/zinc/12/44/17/351124417.db2.gz	FHVGPFQULJTVBP-GFCCVEGCSA-N	1	1	242.363	1.404	20	70		BDIDMO
CC[N@@H+](C)CCNC(=O)[C@@H](C)c1ccsc1	ZINC000160150011	353312843	/nfs/dbraw/zinc/31/28/43/353312843.db2.gz	MENIMOAAOODTEU-JTQLQIEISA-N	1	1	240.372	1.920	20	70		BDIDMO
CCN(C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1	ZINC000160706066	357184068	/nfs/dbraw/zinc/18/40/68/357184068.db2.gz	CVSVATVNUUGVER-NWDGAFQWSA-N	1	1	239.363	1.474	20	70		BDIDMO
CC[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(N)=O	ZINC000159518617	361245583	/nfs/dbraw/zinc/24/55/83/361245583.db2.gz	HJFRLQRQTWDVGO-OIBJUYFYSA-N	1	1	242.269	1.879	20	70		BDIDMO
COCCCC[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1	ZINC000159828266	361292735	/nfs/dbraw/zinc/29/27/35/361292735.db2.gz	XALSXZABGJAUQA-TUAOUCFPSA-N	1	1	213.321	1.116	20	70		BDIDMO
CC[C@@H]1CC[N@H+]([C@H](C(=O)OC)C2CC2)C1	ZINC000159601155	361261837	/nfs/dbraw/zinc/26/18/37/361261837.db2.gz	FXXJIEGKXUFHHE-KOLCDFICSA-N	1	1	211.305	1.670	20	70		BDIDMO
CCNC(=O)C[N@@H+](CC)CCC(C)(C)C	ZINC000160086197	541495678	/nfs/dbraw/zinc/49/56/78/541495678.db2.gz	LZCRKGDTSIHRSE-UHFFFAOYSA-N	1	1	214.353	1.881	20	70		BDIDMO
CCC[N@@H+](CCO)Cc1ccc(OC)c(O)c1	ZINC000161211869	169167227	/nfs/dbraw/zinc/16/72/27/169167227.db2.gz	DFBDCMMDODRFBU-UHFFFAOYSA-N	1	1	239.315	1.605	20	70		BDIDMO
CCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1	ZINC000159384167	169204526	/nfs/dbraw/zinc/20/45/26/169204526.db2.gz	QNYQWSVRRKYBTJ-NEPJUHHUSA-N	1	1	239.315	1.814	20	70		BDIDMO
CCC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1	ZINC000159384167	169204528	/nfs/dbraw/zinc/20/45/28/169204528.db2.gz	QNYQWSVRRKYBTJ-NEPJUHHUSA-N	1	1	239.315	1.814	20	70		BDIDMO
CC(C)[N@@H+](CCCO)CCc1nccs1	ZINC000159812358	384361018	/nfs/dbraw/zinc/36/10/18/384361018.db2.gz	HTZSUMIGRLVQOS-UHFFFAOYSA-N	1	1	228.361	1.778	20	70		BDIDMO
CCCC[N@@H+](C)Cc1nc(CC)cc(=O)[nH]1	ZINC000160481729	384415294	/nfs/dbraw/zinc/41/52/94/384415294.db2.gz	XXEMPCSNSSCCEX-UHFFFAOYSA-N	1	1	223.320	1.977	20	70		BDIDMO
CC(C)[N@@H+](CCCN1CCCCC1)C[C@H](C)O	ZINC000161008723	384474857	/nfs/dbraw/zinc/47/48/57/384474857.db2.gz	IDGUSBYNEXKSMO-AWEZNQCLSA-N	1	1	242.407	1.954	20	70		BDIDMO
CC(C)[N@H+](CCCN1CCCCC1)C[C@H](C)O	ZINC000161008723	384474858	/nfs/dbraw/zinc/47/48/58/384474858.db2.gz	IDGUSBYNEXKSMO-AWEZNQCLSA-N	1	1	242.407	1.954	20	70		BDIDMO
COC(=O)CCC[N@@H+](C)C[C@@H]1CCC[C@@H]1O	ZINC000159500132	384489252	/nfs/dbraw/zinc/48/92/52/384489252.db2.gz	IWYLRQQWBHBXRF-QWRGUYRKSA-N	1	1	229.320	1.032	20	70		BDIDMO
Cn1cncc1C[N@H+]1CCCSCC1	ZINC000161476502	384492730	/nfs/dbraw/zinc/49/27/30/384492730.db2.gz	ISMBKTPPYXCONI-UHFFFAOYSA-N	1	1	211.334	1.359	20	70		BDIDMO
CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCO1	ZINC000161084359	385149910	/nfs/dbraw/zinc/14/99/10/385149910.db2.gz	DQCDOLISRWQCRK-RYUDHWBXSA-N	1	1	240.347	1.156	20	70		BDIDMO
CCN(C)C(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C	ZINC000160679665	385704172	/nfs/dbraw/zinc/70/41/72/385704172.db2.gz	YOJCELQVIKDIPR-NWDGAFQWSA-N	1	1	239.363	1.617	20	70		BDIDMO
C[C@H]([NH2+]C[C@@H](O)C(F)F)c1cscn1	ZINC000218266122	386256752	/nfs/dbraw/zinc/25/67/52/386256752.db2.gz	KIVSHCATINMKRB-CAHLUQPWSA-N	1	1	222.260	1.420	20	70		BDIDMO
C[C@@H](CCC(C)(C)C)NC(=O)[C@@H]1CSC[NH2+]1	ZINC000161228284	386611520	/nfs/dbraw/zinc/61/15/20/386611520.db2.gz	JKUXDANCJMRVTO-UWVGGRQHSA-N	1	1	244.404	1.980	20	70		BDIDMO
Cc1cc[nH+]c(N2CCC3(CC2)OCCO3)c1	ZINC000161182190	388835579	/nfs/dbraw/zinc/83/55/79/388835579.db2.gz	QVGQMEMRQIJDAN-UHFFFAOYSA-N	1	1	234.299	1.733	20	70		BDIDMO
CC[C@H]([NH2+][C@H](C)C(N)=O)c1ccc(F)cc1F	ZINC000160694352	397771798	/nfs/dbraw/zinc/77/17/98/397771798.db2.gz	LPCKFCOTDULFHM-HQJQHLMTSA-N	1	1	242.269	1.879	20	70		BDIDMO
COCCCC[N@H+]1CC[C@@H]([C@@H](C)O)C1	ZINC000159450674	397946816	/nfs/dbraw/zinc/94/68/16/397946816.db2.gz	PAZVTEQNCIZHCO-GHMZBOCLSA-N	1	1	201.310	1.116	20	70		BDIDMO
CCc1nnc(Cn2c[nH+]c3c2CCCC3)o1	ZINC000160719615	172056122	/nfs/dbraw/zinc/05/61/22/172056122.db2.gz	ROWPYRAHPFOMGB-UHFFFAOYSA-N	1	1	232.287	1.756	20	70		BDIDMO
C[C@@H]1C[N@@H+](CCn2ccnc2)CC(C)(C)O1	ZINC000161465965	176296708	/nfs/dbraw/zinc/29/67/08/176296708.db2.gz	WYZSQRMVXCAGJK-LLVKDONJSA-N	1	1	223.320	1.382	20	70		BDIDMO
Cc1ncccc1C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C	ZINC000159672020	323043505	/nfs/dbraw/zinc/04/35/05/323043505.db2.gz	BQURCVDGEJEWPU-GWCFXTLKSA-N	1	1	247.342	1.476	20	70		BDIDMO
C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cccn1C	ZINC000159685391	323043797	/nfs/dbraw/zinc/04/37/97/323043797.db2.gz	KQESGSMYDOQCQW-MNOVXSKESA-N	1	1	235.331	1.111	20	70		BDIDMO
CC[C@@H](C)C[N@@H+](CC)CC1(O)CCOCC1	ZINC000160557581	323071366	/nfs/dbraw/zinc/07/13/66/323071366.db2.gz	CZNBVXXGAUOFTB-GFCCVEGCSA-N	1	1	229.364	1.896	20	70		BDIDMO
CS[C@@H](C)CNC(=O)NC[C@H]1CCC[N@H+]1C	ZINC000159720094	323075246	/nfs/dbraw/zinc/07/52/46/323075246.db2.gz	OYKUUOKZUQOIAR-VHSXEESVSA-N	1	1	245.392	1.131	20	70		BDIDMO
C[C@H](c1ccccn1)[N@@H+](C)C[C@H](O)C1CC1	ZINC000160859050	538912841	/nfs/dbraw/zinc/91/28/41/538912841.db2.gz	HWTOCGXMAASSBA-MFKMUULPSA-N	1	1	220.316	1.845	20	70		BDIDMO
C[C@@H]1CCC[N@@H+](CCCCS(C)(=O)=O)C1	ZINC000161082681	538914007	/nfs/dbraw/zinc/91/40/07/538914007.db2.gz	GIZASRTUOMFYLZ-LLVKDONJSA-N	1	1	233.377	1.543	20	70		BDIDMO
CC1(C)C[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1	ZINC000160137031	323061256	/nfs/dbraw/zinc/06/12/56/323061256.db2.gz	BDLNTQWUEGGQOA-CMPLNLGQSA-N	1	1	236.359	1.633	20	70		BDIDMO
C[C@@H](CC(N)=O)Nc1[nH]c2ccccc2[nH+]1	ZINC000160553341	349194358	/nfs/dbraw/zinc/19/43/58/349194358.db2.gz	DIUNTASFZHFEPB-ZETCQYMHSA-N	1	1	218.260	1.239	20	70		BDIDMO
Cc1nccn1CCC[N@H+]1CCC[C@@H](CO)C1	ZINC000161270179	349413233	/nfs/dbraw/zinc/41/32/33/349413233.db2.gz	CAYXBSSAWXMHBI-CYBMUJFWSA-N	1	1	237.347	1.286	20	70		BDIDMO
Cc1[nH+]ccn1CCS[C@H](C)[C@@H](C)O	ZINC000217974775	180262145	/nfs/dbraw/zinc/26/21/45/180262145.db2.gz	NMZUTTLHWHYAOE-RKDXNWHRSA-N	1	1	214.334	1.694	20	70		BDIDMO
CC1CCN(C(=O)NC[C@H]2CC[N@@H+](C)C2)CC1	ZINC000160378573	356667899	/nfs/dbraw/zinc/66/78/99/356667899.db2.gz	IKUFGBKNDFAXHA-GFCCVEGCSA-N	1	1	239.363	1.380	20	70		BDIDMO
Fc1ccc(C[N@@H+]2CCC3(C2)OCCO3)cc1	ZINC000160619551	357131613	/nfs/dbraw/zinc/13/16/13/357131613.db2.gz	UWZOUOBGGGIYGO-UHFFFAOYSA-N	1	1	237.274	1.775	20	70		BDIDMO
Fc1ccc(C[N@H+]2CCC3(C2)OCCO3)cc1	ZINC000160619551	357131617	/nfs/dbraw/zinc/13/16/17/357131617.db2.gz	UWZOUOBGGGIYGO-UHFFFAOYSA-N	1	1	237.274	1.775	20	70		BDIDMO
OCCNC1CC[NH+](CC2CCCCC2)CC1	ZINC000159700680	538878795	/nfs/dbraw/zinc/87/87/95/538878795.db2.gz	SRLBCJRIZCFZKP-UHFFFAOYSA-N	1	1	240.391	1.613	20	70		BDIDMO
COC(=O)C[C@@H]1CCCC[N@H+]1CCCF	ZINC000161074912	360501605	/nfs/dbraw/zinc/50/16/05/360501605.db2.gz	VAKZHPUEKCUINN-JTQLQIEISA-N	1	1	217.284	1.764	20	70		BDIDMO
CCC1(CNC(=O)[C@H]2CSC[NH2+]2)CCC1	ZINC000159633441	361274436	/nfs/dbraw/zinc/27/44/36/361274436.db2.gz	VDYCGDMOGDUVIX-SECBINFHSA-N	1	1	228.361	1.345	20	70		BDIDMO
CC[N@@H+](CC(=O)Nc1c[nH]c(=O)c(C)c1)C1CC1	ZINC000159491430	384286252	/nfs/dbraw/zinc/28/62/52/384286252.db2.gz	MPLKOUWBJMRWDM-UHFFFAOYSA-N	1	1	249.314	1.106	20	70		BDIDMO
COC[C@@H](C)[N@@H+](C)Cc1cc(O)cc(F)c1	ZINC000159824369	384360975	/nfs/dbraw/zinc/36/09/75/384360975.db2.gz	AJEZNORDTJOTCD-SECBINFHSA-N	1	1	227.279	1.998	20	70		BDIDMO
CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H](C)C2)n1	ZINC000160471449	384415822	/nfs/dbraw/zinc/41/58/22/384415822.db2.gz	TYTWHOWSCBFWBS-JTQLQIEISA-N	1	1	235.331	1.977	20	70		BDIDMO
C[C@@H]1C[N@@H+](CCOCC2CC2)CCS1	ZINC000160581897	384421547	/nfs/dbraw/zinc/42/15/47/384421547.db2.gz	SRRZBYMJKHARSX-SNVBAGLBSA-N	1	1	215.362	1.850	20	70		BDIDMO
C([C@@H]1CCCCO1)[N@H+]1CCCSCC1	ZINC000161475926	384492864	/nfs/dbraw/zinc/49/28/64/384492864.db2.gz	ZWVDREAPDACQKW-NSHDSACASA-N	1	1	215.362	1.994	20	70		BDIDMO
c1cnn(CC[N@H+]2CCCSCC2)c1	ZINC000161478823	384493049	/nfs/dbraw/zinc/49/30/49/384493049.db2.gz	LSDZBTGSKLIBFT-UHFFFAOYSA-N	1	1	211.334	1.322	20	70		BDIDMO
CC[C@](C)(O)C[N@H+]1CC[C@H](COCCOC)C1	ZINC000161300750	384961905	/nfs/dbraw/zinc/96/19/05/384961905.db2.gz	UGRZPDSDIVKFQE-STQMWFEESA-N	1	1	245.363	1.132	20	70		BDIDMO
CC[C@@](C)(O)C[N@@H+](C)C[C@@H]1CCOC1	ZINC000161427185	385033884	/nfs/dbraw/zinc/03/38/84/385033884.db2.gz	SYZNNFWAVDFTFM-WDEREUQCSA-N	1	1	201.310	1.116	20	70		BDIDMO
NC(=O)[C@H]1CCC[N@@H+]1Cc1ccsc1	ZINC000160368370	397949846	/nfs/dbraw/zinc/94/98/46/397949846.db2.gz	QTLURCKLKJQCLB-SECBINFHSA-N	1	1	210.302	1.198	20	70		BDIDMO
NC(=O)[C@H]1CCC[N@H+]1Cc1ccsc1	ZINC000160368370	397949848	/nfs/dbraw/zinc/94/98/48/397949848.db2.gz	QTLURCKLKJQCLB-SECBINFHSA-N	1	1	210.302	1.198	20	70		BDIDMO
C[C@@H](N)C[NH2+][C@H](C)Cc1ccc(F)cc1	ZINC000218299976	487647410	/nfs/dbraw/zinc/64/74/10/487647410.db2.gz	XIYHAARGCWDGHR-NXEZZACHSA-N	1	1	210.296	1.694	20	70		BDIDMO
Cc1ncccc1C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C	ZINC000159671891	323043536	/nfs/dbraw/zinc/04/35/36/323043536.db2.gz	BQURCVDGEJEWPU-GXFFZTMASA-N	1	1	247.342	1.476	20	70		BDIDMO
C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cccn1C	ZINC000159685540	323043897	/nfs/dbraw/zinc/04/38/97/323043897.db2.gz	KQESGSMYDOQCQW-QWRGUYRKSA-N	1	1	235.331	1.111	20	70		BDIDMO
CCCn1c(C)nnc1C[N@@H+]1CCC[C@@H]1C	ZINC000160098952	323060705	/nfs/dbraw/zinc/06/07/05/323060705.db2.gz	PTOZNZHDEGNIPK-JTQLQIEISA-N	1	1	222.336	1.981	20	70		BDIDMO
CCCn1c(C)nnc1C[N@H+]1CCC[C@@H]1C	ZINC000160098952	323060706	/nfs/dbraw/zinc/06/07/06/323060706.db2.gz	PTOZNZHDEGNIPK-JTQLQIEISA-N	1	1	222.336	1.981	20	70		BDIDMO
C[N@@H+](Cc1cnc2ccccn12)[C@H]1CCOC1	ZINC000160221643	323064262	/nfs/dbraw/zinc/06/42/62/323064262.db2.gz	KXJSGMBKMMJCMG-NSHDSACASA-N	1	1	231.299	1.555	20	70		BDIDMO
Cc1nc2ccccn2c1C[N@H+](C)[C@H]1CCOC1	ZINC000160221957	323064353	/nfs/dbraw/zinc/06/43/53/323064353.db2.gz	JLNMZDRBOHKLCV-LBPRGKRZSA-N	1	1	245.326	1.863	20	70		BDIDMO
NC(=O)[C@@H]1CCC[N@@H+]1C/C=C/c1ccc(F)cc1	ZINC000160347355	323064872	/nfs/dbraw/zinc/06/48/72/323064872.db2.gz	MFFKAOLXICZSKI-CHWPNHQFSA-N	1	1	248.301	1.789	20	70		BDIDMO
NC(=O)[C@@H]1CCC[N@H+]1C/C=C/c1ccc(F)cc1	ZINC000160347355	323064873	/nfs/dbraw/zinc/06/48/73/323064873.db2.gz	MFFKAOLXICZSKI-CHWPNHQFSA-N	1	1	248.301	1.789	20	70		BDIDMO
CC[N@H+](CC=C(C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000160846190	323075725	/nfs/dbraw/zinc/07/57/25/323075725.db2.gz	BNEVEOHLVBOYNU-LLVKDONJSA-N	1	1	231.361	1.462	20	70		BDIDMO
CC[N@@H+](CC=C(C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000160846190	323075726	/nfs/dbraw/zinc/07/57/26/323075726.db2.gz	BNEVEOHLVBOYNU-LLVKDONJSA-N	1	1	231.361	1.462	20	70		BDIDMO
CC[N@@H+](Cc1nncn1C)C1CCCCC1	ZINC000160762139	323134642	/nfs/dbraw/zinc/13/46/42/323134642.db2.gz	FCULNDDGLOARNV-UHFFFAOYSA-N	1	1	222.336	1.970	20	70		BDIDMO
C[C@@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)C(N)=O	ZINC000217698614	490481340	/nfs/dbraw/zinc/48/13/40/490481340.db2.gz	OGFDCEAOTQJVTE-QXFUBDJGSA-N	1	1	222.288	1.366	20	70		BDIDMO
C[C@@H](N[C@@H]1CCC[N@@H+](C)C1)c1cscn1	ZINC000161162051	538914512	/nfs/dbraw/zinc/91/45/12/538914512.db2.gz	IXVQPHXMVBPYLN-NXEZZACHSA-N	1	1	225.361	1.888	20	70		BDIDMO
C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1cscn1	ZINC000161162051	538914514	/nfs/dbraw/zinc/91/45/14/538914514.db2.gz	IXVQPHXMVBPYLN-NXEZZACHSA-N	1	1	225.361	1.888	20	70		BDIDMO
COCCCSCC[NH+]1CCOCC1	ZINC000160060986	323059133	/nfs/dbraw/zinc/05/91/33/323059133.db2.gz	HSWFHWFHRFQCQS-UHFFFAOYSA-N	1	1	219.350	1.088	20	70		BDIDMO
Cc1cccc([C@H]2CCC[N@H+]2CCO)n1	ZINC000159834130	345558270	/nfs/dbraw/zinc/55/82/70/345558270.db2.gz	DZDVMWQXTYBGGY-GFCCVEGCSA-N	1	1	206.289	1.519	20	70		BDIDMO
COc1cccnc1NCC[N@@H+](C)C1CC1	ZINC000160232267	346357967	/nfs/dbraw/zinc/35/79/67/346357967.db2.gz	JMOQIEUOFGBDHF-UHFFFAOYSA-N	1	1	221.304	1.596	20	70		BDIDMO
CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)NC1CC1	ZINC000161125634	346475993	/nfs/dbraw/zinc/47/59/93/346475993.db2.gz	PPXFGARBLBVBAK-NSHDSACASA-N	1	1	247.342	1.571	20	70		BDIDMO
CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)NC1CC1	ZINC000161125634	346475997	/nfs/dbraw/zinc/47/59/97/346475997.db2.gz	PPXFGARBLBVBAK-NSHDSACASA-N	1	1	247.342	1.571	20	70		BDIDMO
COC(=O)[C@@H]1CCC[N@@H+](CCOCC2CC2)C1	ZINC000160344842	347473847	/nfs/dbraw/zinc/47/38/47/347473847.db2.gz	SOAQCFMHNUWIDS-GFCCVEGCSA-N	1	1	241.331	1.298	20	70		BDIDMO
CCC[N@H+]1CCCN(C(=O)[C@@H](C)CC)CC1	ZINC000160354475	347572669	/nfs/dbraw/zinc/57/26/69/347572669.db2.gz	ZMWSXDUEGQZRIE-LBPRGKRZSA-N	1	1	226.364	1.977	20	70		BDIDMO
COC(C[N@H+]1CCC[C@@H]1C1CCC1)OC	ZINC000160886945	349335380	/nfs/dbraw/zinc/33/53/80/349335380.db2.gz	HCKQUJAAKKUSIR-LLVKDONJSA-N	1	1	213.321	1.870	20	70		BDIDMO
CCSCC[N@H+]1CCCC[C@H]1CC(N)=O	ZINC000159856733	351018777	/nfs/dbraw/zinc/01/87/77/351018777.db2.gz	VMGYRIXGXGISPN-JTQLQIEISA-N	1	1	230.377	1.469	20	70		BDIDMO
C[N@@H+]1CCC[C@H]1CNCc1nccs1	ZINC000218140362	351036244	/nfs/dbraw/zinc/03/62/44/351036244.db2.gz	QYRQBODPMZTHFE-VIFPVBQESA-N	1	1	211.334	1.327	20	70		BDIDMO
C[N@H+]1CCC[C@H]1CNCc1nccs1	ZINC000218140362	351036246	/nfs/dbraw/zinc/03/62/46/351036246.db2.gz	QYRQBODPMZTHFE-VIFPVBQESA-N	1	1	211.334	1.327	20	70		BDIDMO
C[C@H]([NH2+]CCCS(C)(=O)=O)c1cscn1	ZINC000161185227	351598699	/nfs/dbraw/zinc/59/86/99/351598699.db2.gz	TUTRFZJIFDLUJG-QMMMGPOBSA-N	1	1	248.373	1.228	20	70		BDIDMO
CC[N@@H+](C[C@H](C)C(=O)OC)C[C@@H]1CCCO1	ZINC000218457361	363130186	/nfs/dbraw/zinc/13/01/86/363130186.db2.gz	BMSMAQOYCKDVBN-QWRGUYRKSA-N	1	1	229.320	1.296	20	70		BDIDMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C	ZINC000160457087	538884793	/nfs/dbraw/zinc/88/47/93/538884793.db2.gz	RTZLOGXMZAQKQO-XQQFMLRXSA-N	1	1	238.375	1.879	20	70		BDIDMO
C[N@H+](Cc1ccccn1)[C@@H]1CCCCNC1=O	ZINC000160295732	384399614	/nfs/dbraw/zinc/39/96/14/384399614.db2.gz	ZLNHISFOGSTROD-GFCCVEGCSA-N	1	1	233.315	1.182	20	70		BDIDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCCCNC1=O	ZINC000160295732	384399617	/nfs/dbraw/zinc/39/96/17/384399617.db2.gz	ZLNHISFOGSTROD-GFCCVEGCSA-N	1	1	233.315	1.182	20	70		BDIDMO
CC[C@](C)(O)C[N@H+](C)C[C@@H]1CCCN(C)C1	ZINC000161222653	384933721	/nfs/dbraw/zinc/93/37/21/384933721.db2.gz	ZZOAPIMSXOIOIT-OLZOCXBDSA-N	1	1	228.380	1.421	20	70		BDIDMO
CC[C@](C)(O)C[N@@H+](C)C[C@@H]1CCCN(C)C1	ZINC000161222653	384933723	/nfs/dbraw/zinc/93/37/23/384933723.db2.gz	ZZOAPIMSXOIOIT-OLZOCXBDSA-N	1	1	228.380	1.421	20	70		BDIDMO
C[NH+](C)[C@H](CNC(=O)C(F)F)c1ccco1	ZINC000217612202	385889629	/nfs/dbraw/zinc/88/96/29/385889629.db2.gz	PHCTWMOIBSQWMG-SSDOTTSWSA-N	1	1	232.230	1.264	20	70		BDIDMO
CC[C@H](O)C[N@H+]1C[C@@H](C)OC[C@@H]1CC	ZINC000218339980	386531247	/nfs/dbraw/zinc/53/12/47/386531247.db2.gz	HZRQLRQPQXQHRS-VWYCJHECSA-N	1	1	201.310	1.257	20	70		BDIDMO
CSc1ccccc1C[N@@H+](C)CCO	ZINC000159592740	388022837	/nfs/dbraw/zinc/02/28/37/388022837.db2.gz	OLFAGJHTJJKRJP-UHFFFAOYSA-N	1	1	211.330	1.833	20	70		BDIDMO
C[N@@H+](CCOCC1CC1)[C@H]1CCCCNC1=O	ZINC000160295000	388056332	/nfs/dbraw/zinc/05/63/32/388056332.db2.gz	WOKMAIQNBYJLBM-LBPRGKRZSA-N	1	1	240.347	1.014	20	70		BDIDMO
CO[C@@H]1CCC[N@@H+](CCOCC2CC2)C1	ZINC000160439322	388066921	/nfs/dbraw/zinc/06/69/21/388066921.db2.gz	VXZZOYSNMHUAIY-GFCCVEGCSA-N	1	1	213.321	1.524	20	70		BDIDMO
CCN(CCO)CCC[NH+]1CCCCC1	ZINC000160902193	388099589	/nfs/dbraw/zinc/09/95/89/388099589.db2.gz	GOJOYAQDSIQHOG-UHFFFAOYSA-N	1	1	214.353	1.177	20	70		BDIDMO
CC[N@H+](CCO)CCCN1CCCCC1	ZINC000160902193	388099591	/nfs/dbraw/zinc/09/95/91/388099591.db2.gz	GOJOYAQDSIQHOG-UHFFFAOYSA-N	1	1	214.353	1.177	20	70		BDIDMO
CC[N@@H+](CCO)CCCN1CCCCC1	ZINC000160902193	388099592	/nfs/dbraw/zinc/09/95/92/388099592.db2.gz	GOJOYAQDSIQHOG-UHFFFAOYSA-N	1	1	214.353	1.177	20	70		BDIDMO
CCOC[C@H](C)NCC[N@H+](C)[C@@H](C)CC	ZINC000160131098	388048478	/nfs/dbraw/zinc/04/84/78/388048478.db2.gz	ABXLWZIIHANIHS-RYUDHWBXSA-N	1	1	216.369	1.731	20	70		BDIDMO
CCOC[C@H](C)NCC[N@@H+](C)[C@@H](C)CC	ZINC000160131098	388048480	/nfs/dbraw/zinc/04/84/80/388048480.db2.gz	ABXLWZIIHANIHS-RYUDHWBXSA-N	1	1	216.369	1.731	20	70		BDIDMO
CSCC[N@@H+](C)Cc1ccnc(N)c1	ZINC000160165277	388049083	/nfs/dbraw/zinc/04/90/83/388049083.db2.gz	LFPGLIHNVAEVSE-UHFFFAOYSA-N	1	1	211.334	1.459	20	70		BDIDMO
CC[C@@](C)(O)C[N@H+]1CCC[C@@H](COC)C1	ZINC000217974366	256843923	/nfs/dbraw/zinc/84/39/23/256843923.db2.gz	XRYXQIQFGBLAPH-VXGBXAGGSA-N	1	1	215.337	1.506	20	70		BDIDMO
CCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC000218002449	388576227	/nfs/dbraw/zinc/57/62/27/388576227.db2.gz	NOAKVFOXQRQROA-VHSXEESVSA-N	1	1	213.325	1.130	20	70		BDIDMO
C(CN1CCOCC1)C[N@H+]1CCCSCC1	ZINC000161484520	533359783	/nfs/dbraw/zinc/35/97/83/533359783.db2.gz	OKSHCISCEJCCQN-UHFFFAOYSA-N	1	1	244.404	1.148	20	70		BDIDMO
COCC[N@@H+](CCn1ccnc1)Cc1ccco1	ZINC000159742678	174297164	/nfs/dbraw/zinc/29/71/64/174297164.db2.gz	IOIMSPOPMIWDIP-UHFFFAOYSA-N	1	1	249.314	1.625	20	70		BDIDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]c(C)cc1C	ZINC000159575590	323038314	/nfs/dbraw/zinc/03/83/14/323038314.db2.gz	WZNDIWYZIZSWDC-GFCCVEGCSA-N	1	1	249.358	1.846	20	70		BDIDMO
NC(=O)[C@H]1CCC[N@@H+]1C/C=C/c1ccc(F)cc1	ZINC000160347224	323064968	/nfs/dbraw/zinc/06/49/68/323064968.db2.gz	MFFKAOLXICZSKI-KNVIWWDSSA-N	1	1	248.301	1.789	20	70		BDIDMO
NC(=O)[C@H]1CCC[N@H+]1C/C=C/c1ccc(F)cc1	ZINC000160347224	323064969	/nfs/dbraw/zinc/06/49/69/323064969.db2.gz	MFFKAOLXICZSKI-KNVIWWDSSA-N	1	1	248.301	1.789	20	70		BDIDMO
C[C@H]([NH2+]C[C@@H]1COCCO1)c1cscn1	ZINC000161158636	323149418	/nfs/dbraw/zinc/14/94/18/323149418.db2.gz	MKVMMFLZIKJZLD-DTWKUNHWSA-N	1	1	228.317	1.209	20	70		BDIDMO
C[C@H](CC(N)=O)[NH2+][C@H](C)c1cscn1	ZINC000161228520	323469558	/nfs/dbraw/zinc/46/95/58/323469558.db2.gz	QXAZRQIXNAEPJU-RNFRBKRXSA-N	1	1	213.306	1.058	20	70		BDIDMO
CS[C@H](C)CC(=O)N1CC[NH+](C2CC2)CC1	ZINC000161407931	323512192	/nfs/dbraw/zinc/51/21/92/323512192.db2.gz	INYALPZLFXCGDK-SNVBAGLBSA-N	1	1	242.388	1.435	20	70		BDIDMO
[NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(Cl)nc1	ZINC000216715218	592072633	/nfs/dbraw/zinc/07/26/33/592072633.db2.gz	GUHNBXGHKHHQCL-QWRGUYRKSA-N	1	1	239.750	1.952	20	70		BDIDMO
Cc1ncsc1C[N@H+](C)C[C@@H](C)CO	ZINC000160947979	538913372	/nfs/dbraw/zinc/91/33/72/538913372.db2.gz	YXUCCXPKRIPHQP-MRVPVSSYSA-N	1	1	214.334	1.512	20	70		BDIDMO
CCn1ccnc1C[N@@H+]1CCCSCC1	ZINC000161486176	349463699	/nfs/dbraw/zinc/46/36/99/349463699.db2.gz	ROSVGCFISHDCQF-UHFFFAOYSA-N	1	1	225.361	1.842	20	70		BDIDMO
CCn1ccnc1C[N@H+]1CCCSCC1	ZINC000161486176	349463703	/nfs/dbraw/zinc/46/37/03/349463703.db2.gz	ROSVGCFISHDCQF-UHFFFAOYSA-N	1	1	225.361	1.842	20	70		BDIDMO
CC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)COC	ZINC000160331518	323064718	/nfs/dbraw/zinc/06/47/18/323064718.db2.gz	DXQFMGCAHRCFOL-NSHDSACASA-N	1	1	242.363	1.260	20	70		BDIDMO
CC[C@@]1(C)CCCN(C(=O)[C@@H]2CSC[NH2+]2)C1	ZINC000160775483	349322156	/nfs/dbraw/zinc/32/21/56/349322156.db2.gz	SZHYYWMDDLPJAS-JQWIXIFHSA-N	1	1	242.388	1.688	20	70		BDIDMO
CCCNC(=O)C[N@@H+](CCC)CCSCC	ZINC000159422520	350135303	/nfs/dbraw/zinc/13/53/03/350135303.db2.gz	RYFHSUBEBGUPHA-UHFFFAOYSA-N	1	1	246.420	1.978	20	70		BDIDMO
CCCC[C@H](C(=O)OC)[N@@H+]1CCCOCC1	ZINC000160799180	361327812	/nfs/dbraw/zinc/32/78/12/361327812.db2.gz	FBKCQYMLTHAUEA-LLVKDONJSA-N	1	1	229.320	1.441	20	70		BDIDMO
CCCC[C@H](C(=O)OC)[N@H+]1CCCOCC1	ZINC000160799180	361327813	/nfs/dbraw/zinc/32/78/13/361327813.db2.gz	FBKCQYMLTHAUEA-LLVKDONJSA-N	1	1	229.320	1.441	20	70		BDIDMO
CCC[N@H+]1CCCN(C(=O)[C@@H](C)OCC)CC1	ZINC000160395835	169192698	/nfs/dbraw/zinc/19/26/98/169192698.db2.gz	JEGUPUAJRFNTAU-GFCCVEGCSA-N	1	1	242.363	1.356	20	70		BDIDMO
C(C[NH+]1CCN(C2CC2)CC1)OCC1CC1	ZINC000159716819	384351287	/nfs/dbraw/zinc/35/12/87/384351287.db2.gz	LSPVPRXOUXTAQL-UHFFFAOYSA-N	1	1	224.348	1.193	20	70		BDIDMO
CC[N@H+](CC(=O)Nc1cc(OC)ccn1)C1CC1	ZINC000161419918	384488664	/nfs/dbraw/zinc/48/86/64/384488664.db2.gz	YDGAYRXJWMCYOQ-UHFFFAOYSA-N	1	1	249.314	1.513	20	70		BDIDMO
CC[N@@H+](CC(=O)Nc1cc(OC)ccn1)C1CC1	ZINC000161419918	384488670	/nfs/dbraw/zinc/48/86/70/384488670.db2.gz	YDGAYRXJWMCYOQ-UHFFFAOYSA-N	1	1	249.314	1.513	20	70		BDIDMO
Cc1cccc(CNC(=O)N2CC[NH+](C)CC2)c1	ZINC000217314484	385881675	/nfs/dbraw/zinc/88/16/75/385881675.db2.gz	NVMYSRSRGTZALM-UHFFFAOYSA-N	1	1	247.342	1.452	20	70		BDIDMO
FC(F)CN1CC[NH+](CCOCC2CC2)CC1	ZINC000159842370	388032432	/nfs/dbraw/zinc/03/24/32/388032432.db2.gz	ANHNVWKJNTWCOQ-UHFFFAOYSA-N	1	1	248.317	1.296	20	70		BDIDMO
Cc1nc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)oc1C	ZINC000159864315	388036197	/nfs/dbraw/zinc/03/61/97/388036197.db2.gz	TZIPOAGBOJRGOL-RYUDHWBXSA-N	1	1	238.331	1.884	20	70		BDIDMO
Cc1nc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)oc1C	ZINC000159864315	388036201	/nfs/dbraw/zinc/03/62/01/388036201.db2.gz	TZIPOAGBOJRGOL-RYUDHWBXSA-N	1	1	238.331	1.884	20	70		BDIDMO
COCCC[N@@H+](C)CCOCC1CC1	ZINC000159687341	388027108	/nfs/dbraw/zinc/02/71/08/388027108.db2.gz	NHUYAIZZKNXBCO-UHFFFAOYSA-N	1	1	201.310	1.381	20	70		BDIDMO
CC[C@@](C)(O)C[N@H+]1CCC[C@H](CCC(N)=O)C1	ZINC000160851640	171177535	/nfs/dbraw/zinc/17/75/35/171177535.db2.gz	UTAXXWBSUNZJPB-DGCLKSJQSA-N	1	1	242.363	1.125	20	70		BDIDMO
CNC(=O)C[N@@H+](CCc1nccs1)C(C)C	ZINC000159919768	323053925	/nfs/dbraw/zinc/05/39/25/323053925.db2.gz	MEUBSJSZVGTBSU-UHFFFAOYSA-N	1	1	241.360	1.142	20	70		BDIDMO
CCOc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000160306028	323064743	/nfs/dbraw/zinc/06/47/43/323064743.db2.gz	IHCJGHFTAAMXHK-CYBMUJFWSA-N	1	1	248.326	1.535	20	70		BDIDMO
CCOc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000160306028	323064744	/nfs/dbraw/zinc/06/47/44/323064744.db2.gz	IHCJGHFTAAMXHK-CYBMUJFWSA-N	1	1	248.326	1.535	20	70		BDIDMO
Cc1cc(C[N@@H+]2CCC[C@H]2C(N)=O)ccc1F	ZINC000160329617	323064785	/nfs/dbraw/zinc/06/47/85/323064785.db2.gz	MTWVXOMEXVTEDA-LBPRGKRZSA-N	1	1	236.290	1.584	20	70		BDIDMO
Cc1cc(C[N@H+]2CCC[C@H]2C(N)=O)ccc1F	ZINC000160329617	323064786	/nfs/dbraw/zinc/06/47/86/323064786.db2.gz	MTWVXOMEXVTEDA-LBPRGKRZSA-N	1	1	236.290	1.584	20	70		BDIDMO
Cc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)c(C)c1	ZINC000160338866	323065085	/nfs/dbraw/zinc/06/50/85/323065085.db2.gz	CVEWIYUZEACIDW-ZDUSSCGKSA-N	1	1	232.327	1.753	20	70		BDIDMO
CC(C)OCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000161348057	538915216	/nfs/dbraw/zinc/91/52/16/538915216.db2.gz	LYQIFDWHXPTZEM-UHFFFAOYSA-N	1	1	249.358	1.629	20	70		BDIDMO
CC[C@](C)(O)C[NH+]1CCC(c2nc[nH]n2)CC1	ZINC000161488542	349464067	/nfs/dbraw/zinc/46/40/67/349464067.db2.gz	MFLXZZUPULPFDB-LBPRGKRZSA-N	1	1	238.335	1.145	20	70		BDIDMO
C[N@@H+]1CCC[C@H]1CCN1CCN(C2CC2)CC1	ZINC000161496095	349465654	/nfs/dbraw/zinc/46/56/54/349465654.db2.gz	VCRYJBDEJNUDSA-ZDUSSCGKSA-N	1	1	237.391	1.251	20	70		BDIDMO
C[N@H+]1CCC[C@H]1CCN1CCN(C2CC2)CC1	ZINC000161496095	349465658	/nfs/dbraw/zinc/46/56/58/349465658.db2.gz	VCRYJBDEJNUDSA-ZDUSSCGKSA-N	1	1	237.391	1.251	20	70		BDIDMO
CC(C)OC[C@@H](O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21	ZINC000217900686	398324493	/nfs/dbraw/zinc/32/44/93/398324493.db2.gz	JAPPJRPBNXXMDS-RWMBFGLXSA-N	1	1	243.347	1.026	20	70		BDIDMO
CCCC[C@@H](C(=O)OC)[N@H+](CC)CCOC	ZINC000161012403	344454297	/nfs/dbraw/zinc/45/42/97/344454297.db2.gz	PFLJAVBUTLOUKI-NSHDSACASA-N	1	1	231.336	1.687	20	70		BDIDMO
CCCC[C@@H](C(=O)OC)[N@@H+](CC)CCOC	ZINC000161012403	344454301	/nfs/dbraw/zinc/45/43/01/344454301.db2.gz	PFLJAVBUTLOUKI-NSHDSACASA-N	1	1	231.336	1.687	20	70		BDIDMO
Cc1[nH]ncc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2	ZINC000159569015	345443892	/nfs/dbraw/zinc/44/38/92/345443892.db2.gz	BEWCGMKGGCIJEE-UPJWGTAASA-N	1	1	247.342	1.765	20	70		BDIDMO
CN(C)C(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21	ZINC000159661224	345456970	/nfs/dbraw/zinc/45/69/70/345456970.db2.gz	RWCSWMCQTGPPOK-QWRGUYRKSA-N	1	1	210.321	1.339	20	70		BDIDMO
CC[N@H+]1CCCN(C(=O)NCCC2CC2)CC1	ZINC000159922981	345661122	/nfs/dbraw/zinc/66/11/22/345661122.db2.gz	MFPGWTXEHLVYIT-UHFFFAOYSA-N	1	1	239.363	1.524	20	70		BDIDMO
CCCNC(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21	ZINC000159656533	346427644	/nfs/dbraw/zinc/42/76/44/346427644.db2.gz	WHGDMRQYLMFGEI-RYUDHWBXSA-N	1	1	224.348	1.777	20	70		BDIDMO
CCOCCC[N@H+]1CCC[C@@H](CCC(N)=O)C1	ZINC000160332908	347333735	/nfs/dbraw/zinc/33/37/35/347333735.db2.gz	OPWCNPPSOUIZRR-LBPRGKRZSA-N	1	1	242.363	1.391	20	70		BDIDMO
Cc1ccoc1C[N@@H+]1CCC[C@@H]1C(N)=O	ZINC000160356002	347590628	/nfs/dbraw/zinc/59/06/28/347590628.db2.gz	LPUYUXDMHYZAJK-SECBINFHSA-N	1	1	208.261	1.038	20	70		BDIDMO
Cc1ccoc1C[N@H+]1CCC[C@@H]1C(N)=O	ZINC000160356002	347590632	/nfs/dbraw/zinc/59/06/32/347590632.db2.gz	LPUYUXDMHYZAJK-SECBINFHSA-N	1	1	208.261	1.038	20	70		BDIDMO
CC[C@@]1(C)CCCN(C(=O)[C@H]2CSC[NH2+]2)C1	ZINC000160775753	358487817	/nfs/dbraw/zinc/48/78/17/358487817.db2.gz	SZHYYWMDDLPJAS-PWSUYJOCSA-N	1	1	242.388	1.688	20	70		BDIDMO
CC[C@@](C)(O)C[N@H+]1CC[C@H](COCCOC)C1	ZINC000161300879	384479588	/nfs/dbraw/zinc/47/95/88/384479588.db2.gz	UGRZPDSDIVKFQE-QWHCGFSZSA-N	1	1	245.363	1.132	20	70		BDIDMO
CCNC(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)n1	ZINC000159763783	384496711	/nfs/dbraw/zinc/49/67/11/384496711.db2.gz	XVVDRRYCWNXKEU-ZDUSSCGKSA-N	1	1	247.342	1.663	20	70		BDIDMO
CCNC(=O)C[N@H+]1CCC[C@H]1c1cccc(C)n1	ZINC000159763783	384496720	/nfs/dbraw/zinc/49/67/20/384496720.db2.gz	XVVDRRYCWNXKEU-ZDUSSCGKSA-N	1	1	247.342	1.663	20	70		BDIDMO
CC[C@](C)(O)C[N@H+](C)Cc1nccs1	ZINC000161362075	384984574	/nfs/dbraw/zinc/98/45/74/384984574.db2.gz	JFDHOGUAJOGMGI-JTQLQIEISA-N	1	1	214.334	1.736	20	70		BDIDMO
CC[C@](C)(O)C[N@@H+](C)Cc1nccs1	ZINC000161362075	384984579	/nfs/dbraw/zinc/98/45/79/384984579.db2.gz	JFDHOGUAJOGMGI-JTQLQIEISA-N	1	1	214.334	1.736	20	70		BDIDMO
O=C([C@@H]1CSC[NH2+]1)N1CCC2(CCC2)C1	ZINC000160619758	388077911	/nfs/dbraw/zinc/07/79/11/388077911.db2.gz	KIPLQNBJWWFTIW-VIFPVBQESA-N	1	1	226.345	1.052	20	70		BDIDMO
Cc1c(C[NH2+]Cc2ccoc2)cnn1C	ZINC000160141700	388048108	/nfs/dbraw/zinc/04/81/08/388048108.db2.gz	PLTKEXWMESWFFO-UHFFFAOYSA-N	1	1	205.261	1.611	20	70		BDIDMO
C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cscn1	ZINC000159372941	177002121	/nfs/dbraw/zinc/00/21/21/177002121.db2.gz	LSPKEDCGFLVZCU-GXSJLCMTSA-N	1	1	226.345	1.878	20	70		BDIDMO
Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H](C)N	ZINC000218299439	487647514	/nfs/dbraw/zinc/64/75/14/487647514.db2.gz	DWOWGYPWDJOTOI-VXGBXAGGSA-N	1	1	206.333	1.863	20	70		BDIDMO
Cc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)o1	ZINC000159557276	323036669	/nfs/dbraw/zinc/03/66/69/323036669.db2.gz	VTXLVGPMOXPDKT-GXSJLCMTSA-N	1	1	236.315	1.674	20	70		BDIDMO
C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cccs1	ZINC000159682780	323043702	/nfs/dbraw/zinc/04/37/02/323043702.db2.gz	PWLJFPYGEJIDGY-VHSXEESVSA-N	1	1	238.356	1.834	20	70		BDIDMO
C[C@H](CNc1cc(F)ncn1)[N@@H+](C)C1CC1	ZINC000218696963	592173477	/nfs/dbraw/zinc/17/34/77/592173477.db2.gz	OIFXTXVPMPSHFS-MRVPVSSYSA-N	1	1	224.283	1.510	20	70		BDIDMO
CCc1nnc([C@H](C)[N@H+](C)C[C@H](O)C2CC2)o1	ZINC000160740044	538897580	/nfs/dbraw/zinc/89/75/80/538897580.db2.gz	WFZSEUQFLJYEKJ-WPRPVWTQSA-N	1	1	239.319	1.396	20	70		BDIDMO
CCc1nnc([C@H](C)[N@@H+](C)C[C@H](O)C2CC2)o1	ZINC000160740044	538897582	/nfs/dbraw/zinc/89/75/82/538897582.db2.gz	WFZSEUQFLJYEKJ-WPRPVWTQSA-N	1	1	239.319	1.396	20	70		BDIDMO
C([C@H]1CCCCO1)[N@H+]1CCCSCC1	ZINC000161476041	349457962	/nfs/dbraw/zinc/45/79/62/349457962.db2.gz	ZWVDREAPDACQKW-LLVKDONJSA-N	1	1	215.362	1.994	20	70		BDIDMO
C(C1CCOCC1)[N@H+]1CCCSCC1	ZINC000161483305	349462908	/nfs/dbraw/zinc/46/29/08/349462908.db2.gz	IIEQDFIHRAODAY-UHFFFAOYSA-N	1	1	215.362	1.852	20	70		BDIDMO
CCc1nnc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)[nH]1	ZINC000159481531	345436919	/nfs/dbraw/zinc/43/69/19/345436919.db2.gz	NYSVRZQWRIDSPZ-NXEZZACHSA-N	1	1	238.335	1.102	20	70		BDIDMO
CCc1nnc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)[nH]1	ZINC000159481531	345436920	/nfs/dbraw/zinc/43/69/20/345436920.db2.gz	NYSVRZQWRIDSPZ-NXEZZACHSA-N	1	1	238.335	1.102	20	70		BDIDMO
CC(C)OCCCSCC[NH+]1CCOCC1	ZINC000159768859	346263063	/nfs/dbraw/zinc/26/30/63/346263063.db2.gz	FAKGFSRLENDZAP-UHFFFAOYSA-N	1	1	247.404	1.867	20	70		BDIDMO
Cc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)c(C)c1	ZINC000160338734	347462262	/nfs/dbraw/zinc/46/22/62/347462262.db2.gz	CVEWIYUZEACIDW-CYBMUJFWSA-N	1	1	232.327	1.753	20	70		BDIDMO
OC[C@H]1CCCN(CCC[NH+]2CCCCC2)C1	ZINC000161253359	349416537	/nfs/dbraw/zinc/41/65/37/349416537.db2.gz	YCETYMZPKLDFIP-AWEZNQCLSA-N	1	1	240.391	1.567	20	70		BDIDMO
OC[C@H]1CCC[N@H+](CCCN2CCCCC2)C1	ZINC000161253359	349416538	/nfs/dbraw/zinc/41/65/38/349416538.db2.gz	YCETYMZPKLDFIP-AWEZNQCLSA-N	1	1	240.391	1.567	20	70		BDIDMO
OC[C@H]1CCC[N@@H+](CCCN2CCCCC2)C1	ZINC000161253359	349416540	/nfs/dbraw/zinc/41/65/40/349416540.db2.gz	YCETYMZPKLDFIP-AWEZNQCLSA-N	1	1	240.391	1.567	20	70		BDIDMO
COC(=O)C[C@H]1CCCC[N@H+]1CCCF	ZINC000161075019	360501655	/nfs/dbraw/zinc/50/16/55/360501655.db2.gz	VAKZHPUEKCUINN-SNVBAGLBSA-N	1	1	217.284	1.764	20	70		BDIDMO
C[C@H](O)[C@H]1CC[N@@H+](CCC(F)(F)F)C1	ZINC000159470246	361238234	/nfs/dbraw/zinc/23/82/34/361238234.db2.gz	IMNDHCJTVPAVML-YUMQZZPRSA-N	1	1	211.227	1.642	20	70		BDIDMO
CSCC[N@@H+](C)Cc1cccnc1N	ZINC000160165701	361302105	/nfs/dbraw/zinc/30/21/05/361302105.db2.gz	YPJIMBZUFPLNAB-UHFFFAOYSA-N	1	1	211.334	1.459	20	70		BDIDMO
COC[C@@H]1CCC[N@@H+](CCn2ccnc2)C1	ZINC000159821542	384359422	/nfs/dbraw/zinc/35/94/22/384359422.db2.gz	FFXHMJWWBPXLTR-GFCCVEGCSA-N	1	1	223.320	1.242	20	70		BDIDMO
CC[C@@](C)(O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C	ZINC000161274601	384962842	/nfs/dbraw/zinc/96/28/42/384962842.db2.gz	MUACZSFLIAYLIY-UONOGXRCSA-N	1	1	242.407	1.954	20	70		BDIDMO
CC[C@@](C)(O)C[N@H+](C)CC[C@@H]1CCCCN1C	ZINC000161274601	384962855	/nfs/dbraw/zinc/96/28/55/384962855.db2.gz	MUACZSFLIAYLIY-UONOGXRCSA-N	1	1	242.407	1.954	20	70		BDIDMO
CC[C@@](C)(O)C[N@@H+](C)CC[C@@H]1CCCCN1C	ZINC000161274601	384962858	/nfs/dbraw/zinc/96/28/58/384962858.db2.gz	MUACZSFLIAYLIY-UONOGXRCSA-N	1	1	242.407	1.954	20	70		BDIDMO
C[N@@H+](CCOCC1CC1)[C@@H]1CCCCNC1=O	ZINC000160294840	388057142	/nfs/dbraw/zinc/05/71/42/388057142.db2.gz	WOKMAIQNBYJLBM-GFCCVEGCSA-N	1	1	240.347	1.014	20	70		BDIDMO
CC[C@@](C)(O)C[N@H+]1CCC[C@@H](OC)C1	ZINC000217965119	388574723	/nfs/dbraw/zinc/57/47/23/388574723.db2.gz	IAUMNLSYFKNSCH-GHMZBOCLSA-N	1	1	201.310	1.258	20	70		BDIDMO
COC(=O)[C@@H](C)C[N@H+]1CCC[C@@H](C)CC1	ZINC000216823636	134159390	/nfs/dbraw/zinc/15/93/90/134159390.db2.gz	CSCRXTJNRYZHMD-MNOVXSKESA-N	1	1	213.321	1.918	20	70		BDIDMO
COc1ccccc1C[C@H](C)[NH2+]C[C@@H](C)N	ZINC000218300618	411435168	/nfs/dbraw/zinc/43/51/68/411435168.db2.gz	UDXOIFGYNFHNMC-MNOVXSKESA-N	1	1	222.332	1.563	20	70		BDIDMO
COCCN(C)c1cc[nH+]cc1Br	ZINC000159958549	174283591	/nfs/dbraw/zinc/28/35/91/174283591.db2.gz	KGOXYYCWBCRFPO-UHFFFAOYSA-N	1	1	245.120	1.927	20	70		BDIDMO
Cc1ccoc1C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C	ZINC000159648087	323042035	/nfs/dbraw/zinc/04/20/35/323042035.db2.gz	SKQIMPOUZCYKRU-WDEREUQCSA-N	1	1	236.315	1.674	20	70		BDIDMO
CNC(=O)CC[N@H+]1CCC[C@H]1c1cccc(C)n1	ZINC000159870575	323051099	/nfs/dbraw/zinc/05/10/99/323051099.db2.gz	PMIPZCOZQNSCGN-ZDUSSCGKSA-N	1	1	247.342	1.663	20	70		BDIDMO
CC[N@@H+](CCNC(=O)NC1(C)CCC1)C1CC1	ZINC000160494902	323069396	/nfs/dbraw/zinc/06/93/96/323069396.db2.gz	PKVZYZFYBIZIIR-UHFFFAOYSA-N	1	1	239.363	1.713	20	70		BDIDMO
CC[N@H+]1CC[C@H](CNC(=O)C[C@@H](C)SC)C1	ZINC000160661911	323083034	/nfs/dbraw/zinc/08/30/34/323083034.db2.gz	DEJWIBNSCWKMOM-GHMZBOCLSA-N	1	1	244.404	1.586	20	70		BDIDMO
CCc1nnc([C@@H](C)[N@H+](C)C[C@H](O)C2CC2)o1	ZINC000160739915	566324861	/nfs/dbraw/zinc/32/48/61/566324861.db2.gz	WFZSEUQFLJYEKJ-SCZZXKLOSA-N	1	1	239.319	1.396	20	70		BDIDMO
CCc1nnc([C@@H](C)[N@@H+](C)C[C@H](O)C2CC2)o1	ZINC000160739915	566324869	/nfs/dbraw/zinc/32/48/69/566324869.db2.gz	WFZSEUQFLJYEKJ-SCZZXKLOSA-N	1	1	239.319	1.396	20	70		BDIDMO
CC[N@H+](C)c1ccc(N2CCOCC2)cc1	ZINC000218043100	592151453	/nfs/dbraw/zinc/15/14/53/592151453.db2.gz	YFEWPTSBLRJMFE-UHFFFAOYSA-N	1	1	220.316	1.979	20	70		BDIDMO
CC[N@@H+](C)c1ccc(N2CCOCC2)cc1	ZINC000218043100	592151455	/nfs/dbraw/zinc/15/14/55/592151455.db2.gz	YFEWPTSBLRJMFE-UHFFFAOYSA-N	1	1	220.316	1.979	20	70		BDIDMO
C[N@@H+](CCCCS(C)(=O)=O)CC1CC1	ZINC000161495808	538915845	/nfs/dbraw/zinc/91/58/45/538915845.db2.gz	RKNFCKJOHTXKCM-UHFFFAOYSA-N	1	1	219.350	1.153	20	70		BDIDMO
COCC[C@H](C)[N@H+]1CCC[C@@](C)(O)C1	ZINC000161007538	538913864	/nfs/dbraw/zinc/91/38/64/538913864.db2.gz	HPIAGUPCTLJFIN-WDEREUQCSA-N	1	1	201.310	1.258	20	70		BDIDMO
C[C@H]1CCC[N@@H+](CCCCS(C)(=O)=O)C1	ZINC000161082782	538914059	/nfs/dbraw/zinc/91/40/59/538914059.db2.gz	GIZASRTUOMFYLZ-NSHDSACASA-N	1	1	233.377	1.543	20	70		BDIDMO
CC1(C)C[C@H]1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1	ZINC000160137169	323061193	/nfs/dbraw/zinc/06/11/93/323061193.db2.gz	BDLNTQWUEGGQOA-JQWIXIFHSA-N	1	1	236.359	1.633	20	70		BDIDMO
COC(=O)C[N@H+](CCOCC1CC1)C(C)C	ZINC000159600614	345445764	/nfs/dbraw/zinc/44/57/64/345445764.db2.gz	BXGBBKCBMCYCJN-UHFFFAOYSA-N	1	1	229.320	1.296	20	70		BDIDMO
COC(=O)C[N@@H+](CCOCC1CC1)C(C)C	ZINC000159600614	345445766	/nfs/dbraw/zinc/44/57/66/345445766.db2.gz	BXGBBKCBMCYCJN-UHFFFAOYSA-N	1	1	229.320	1.296	20	70		BDIDMO
c1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)[nH]n1	ZINC000159611672	345445838	/nfs/dbraw/zinc/44/58/38/345445838.db2.gz	FMIMDKLHTQEZSN-UTUOFQBUSA-N	1	1	233.315	1.457	20	70		BDIDMO
CCC[N@H+](CCO)CCCN1CCCCC1	ZINC000161276346	349414170	/nfs/dbraw/zinc/41/41/70/349414170.db2.gz	XNLAXDXGIULPAN-UHFFFAOYSA-N	1	1	228.380	1.567	20	70		BDIDMO
CCC[N@@H+](CCO)CCCN1CCCCC1	ZINC000161276346	349414172	/nfs/dbraw/zinc/41/41/72/349414172.db2.gz	XNLAXDXGIULPAN-UHFFFAOYSA-N	1	1	228.380	1.567	20	70		BDIDMO
C[C@H]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1	ZINC000161309573	349420284	/nfs/dbraw/zinc/42/02/84/349420284.db2.gz	QVYPOHXYNLHBPN-RWMBFGLXSA-N	1	1	238.375	1.881	20	70		BDIDMO
CCN(C)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1	ZINC000160705811	357184098	/nfs/dbraw/zinc/18/40/98/357184098.db2.gz	CVSVATVNUUGVER-VXGBXAGGSA-N	1	1	239.363	1.474	20	70		BDIDMO
C[C@@H](O)[C@H]1CC[N@@H+](CCC(F)(F)F)C1	ZINC000159470382	361237991	/nfs/dbraw/zinc/23/79/91/361237991.db2.gz	IMNDHCJTVPAVML-SFYZADRCSA-N	1	1	211.227	1.642	20	70		BDIDMO
CCOC(=O)[C@H](CC)[N@@H+](CC)CCCO	ZINC000160727716	361325541	/nfs/dbraw/zinc/32/55/41/361325541.db2.gz	JZRLOQMIIWVJFF-JTQLQIEISA-N	1	1	217.309	1.032	20	70		BDIDMO
CCC[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2C)CC1	ZINC000160388824	169192743	/nfs/dbraw/zinc/19/27/43/169192743.db2.gz	PTJBJJLWQVVOMF-RYUDHWBXSA-N	1	1	224.348	1.587	20	70		BDIDMO
CCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2C)CC1	ZINC000160388687	169193678	/nfs/dbraw/zinc/19/36/78/169193678.db2.gz	PTJBJJLWQVVOMF-NWDGAFQWSA-N	1	1	224.348	1.587	20	70		BDIDMO
Cn1cc(Cn2c[nH+]c3c2CCCC3)cn1	ZINC000160728019	384430466	/nfs/dbraw/zinc/43/04/66/384430466.db2.gz	CWGPIAGUKAQKCN-UHFFFAOYSA-N	1	1	216.288	1.544	20	70		BDIDMO
C[N@@H+](CCn1ccnc1)C[C@@H]1CCCCO1	ZINC000161448674	384490881	/nfs/dbraw/zinc/49/08/81/384490881.db2.gz	NRMXFTCAIJVBMD-LBPRGKRZSA-N	1	1	223.320	1.384	20	70		BDIDMO
COC[C@@H](C)[N@@H+](C)Cc1ccc(CO)o1	ZINC000161162988	384862414	/nfs/dbraw/zinc/86/24/14/384862414.db2.gz	MWPUKVZLTFOTQE-SECBINFHSA-N	1	1	213.277	1.239	20	70		BDIDMO
CCCC[N@H+](CCO)CCCN1CCCCC1	ZINC000160902785	388099394	/nfs/dbraw/zinc/09/93/94/388099394.db2.gz	CEDYHXPIRKRTCE-UHFFFAOYSA-N	1	1	242.407	1.957	20	70		BDIDMO
CCCC[N@@H+](CCO)CCCN1CCCCC1	ZINC000160902785	388099397	/nfs/dbraw/zinc/09/93/97/388099397.db2.gz	CEDYHXPIRKRTCE-UHFFFAOYSA-N	1	1	242.407	1.957	20	70		BDIDMO
Cc1cc(C[N@H+]2CCC[C@](C)(O)C2)on1	ZINC000160998050	388109014	/nfs/dbraw/zinc/10/90/14/388109014.db2.gz	DUEBZNRPVGHRAV-NSHDSACASA-N	1	1	210.277	1.330	20	70		BDIDMO
COCCCC[N@H+]1CC[C@H]([C@@H](C)O)C1	ZINC000159450947	397946825	/nfs/dbraw/zinc/94/68/25/397946825.db2.gz	PAZVTEQNCIZHCO-MNOVXSKESA-N	1	1	201.310	1.116	20	70		BDIDMO
CC[N@@H+](CCOCC1CC1)Cc1cnn(C)c1	ZINC000160096139	397949808	/nfs/dbraw/zinc/94/98/08/397949808.db2.gz	CFVCRZHILUYXFL-UHFFFAOYSA-N	1	1	237.347	1.669	20	70		BDIDMO
CC(C)(C)OCCSCC[NH+]1CCOCC1	ZINC000159811959	323049215	/nfs/dbraw/zinc/04/92/15/323049215.db2.gz	XGGNEBDEFADBEJ-UHFFFAOYSA-N	1	1	247.404	1.867	20	70		BDIDMO
CCCn1c(C)nnc1C[N@@H+]1CCC[C@H]1C	ZINC000160099089	323060714	/nfs/dbraw/zinc/06/07/14/323060714.db2.gz	PTOZNZHDEGNIPK-SNVBAGLBSA-N	1	1	222.336	1.981	20	70		BDIDMO
CCCn1c(C)nnc1C[N@H+]1CCC[C@H]1C	ZINC000160099089	323060715	/nfs/dbraw/zinc/06/07/15/323060715.db2.gz	PTOZNZHDEGNIPK-SNVBAGLBSA-N	1	1	222.336	1.981	20	70		BDIDMO
COCCC(=O)NC[C@H]1CCC[N@H+]1CC(C)C	ZINC000160556237	323071606	/nfs/dbraw/zinc/07/16/06/323071606.db2.gz	WBWSIGSBAZGRQS-GFCCVEGCSA-N	1	1	242.363	1.260	20	70		BDIDMO
C[C@@H](C1CC1)[N@H+](Cc1nncn1C)C1CC1	ZINC000160773142	323134782	/nfs/dbraw/zinc/13/47/82/323134782.db2.gz	AVZJMDFWECLKQA-VIFPVBQESA-N	1	1	220.320	1.578	20	70		BDIDMO
C[C@@H](C1CC1)[N@@H+](Cc1nncn1C)C1CC1	ZINC000160773142	323134783	/nfs/dbraw/zinc/13/47/83/323134783.db2.gz	AVZJMDFWECLKQA-VIFPVBQESA-N	1	1	220.320	1.578	20	70		BDIDMO
[NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(Cl)nc1	ZINC000216715126	592072794	/nfs/dbraw/zinc/07/27/94/592072794.db2.gz	GUHNBXGHKHHQCL-MNOVXSKESA-N	1	1	239.750	1.952	20	70		BDIDMO
CCCC[N@@H+](CC)CCCCS(C)(=O)=O	ZINC000161381584	538915273	/nfs/dbraw/zinc/91/52/73/538915273.db2.gz	WLCGGBZEZUTNOJ-UHFFFAOYSA-N	1	1	235.393	1.933	20	70		BDIDMO
Cn1cc(CCC[N@H+]2CCCSCC2)cn1	ZINC000161478183	538915664	/nfs/dbraw/zinc/91/56/64/538915664.db2.gz	IDMZDUWFDHNLRH-UHFFFAOYSA-N	1	1	239.388	1.792	20	70		BDIDMO
CCc1nc(CN2[C@H](C)CCC[C@@H]2CO)n[nH]1	ZINC000159399053	345430633	/nfs/dbraw/zinc/43/06/33/345430633.db2.gz	KEQRIAQONOCEJD-NXEZZACHSA-N	1	1	238.335	1.102	20	70		BDIDMO
O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)NC1CC1	ZINC000159679747	345467930	/nfs/dbraw/zinc/46/79/30/345467930.db2.gz	ZUJWFQZSCQCKNC-JQWIXIFHSA-N	1	1	222.332	1.530	20	70		BDIDMO
CCc1cc(=O)[nH]c(C[N@@H+](C)[C@@H](C)C2CC2)n1	ZINC000161012720	345526363	/nfs/dbraw/zinc/52/63/63/345526363.db2.gz	YJNWLFZHMHAWFE-VIFPVBQESA-N	1	1	235.331	1.975	20	70		BDIDMO
COC[C@H](C)[NH2+][C@H](C)c1cscn1	ZINC000161127375	345925994	/nfs/dbraw/zinc/92/59/94/345925994.db2.gz	CYEWUGBEFFGBGP-JGVFFNPUSA-N	1	1	200.307	1.829	20	70		BDIDMO
CC[N@@H+](Cc1nncn1C)C1CCCC1	ZINC000160796381	346465099	/nfs/dbraw/zinc/46/50/99/346465099.db2.gz	CBZFNSMBJOHGPB-UHFFFAOYSA-N	1	1	208.309	1.580	20	70		BDIDMO
CCSCC[N@H+]1CC[C@H](N2CCCC2)C1	ZINC000160335881	347391326	/nfs/dbraw/zinc/39/13/26/347391326.db2.gz	IDBUHIDLIZUEDF-LBPRGKRZSA-N	1	1	228.405	1.910	20	70		BDIDMO
CCSCCN1CC[C@H]([NH+]2CCCC2)C1	ZINC000160335881	347391327	/nfs/dbraw/zinc/39/13/27/347391327.db2.gz	IDBUHIDLIZUEDF-LBPRGKRZSA-N	1	1	228.405	1.910	20	70		BDIDMO
OC[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1	ZINC000160707577	349317318	/nfs/dbraw/zinc/31/73/18/349317318.db2.gz	CUMWSYLUYVYMRC-CYBMUJFWSA-N	1	1	226.364	1.319	20	70		BDIDMO
OC[C@H]1CCC[N@@H+]1CCCN1CCCCC1	ZINC000160707577	349317323	/nfs/dbraw/zinc/31/73/23/349317323.db2.gz	CUMWSYLUYVYMRC-CYBMUJFWSA-N	1	1	226.364	1.319	20	70		BDIDMO
OC[C@H]1CCC[N@H+]1CCCN1CCCCC1	ZINC000160707577	349317327	/nfs/dbraw/zinc/31/73/27/349317327.db2.gz	CUMWSYLUYVYMRC-CYBMUJFWSA-N	1	1	226.364	1.319	20	70		BDIDMO
OC[C@H]1CCCN1CCC[NH+]1CCCCC1	ZINC000160707577	349317332	/nfs/dbraw/zinc/31/73/32/349317332.db2.gz	CUMWSYLUYVYMRC-CYBMUJFWSA-N	1	1	226.364	1.319	20	70		BDIDMO
C[N@H+]1CCC[C@H]1CCN1CCOC(C)(C)C1	ZINC000161401978	349429599	/nfs/dbraw/zinc/42/95/99/349429599.db2.gz	XWSDVUGNMGZJHU-LBPRGKRZSA-N	1	1	226.364	1.582	20	70		BDIDMO
C[C@H](O)C[N@@H+](C)CCC[NH+]1CCCCC1	ZINC000161241384	349414852	/nfs/dbraw/zinc/41/48/52/349414852.db2.gz	BBPSCNFKBMKOJI-LBPRGKRZSA-N	1	1	214.353	1.175	20	70		BDIDMO
C[C@H](O)CN(C)CCC[NH+]1CCCCC1	ZINC000161241384	349414854	/nfs/dbraw/zinc/41/48/54/349414854.db2.gz	BBPSCNFKBMKOJI-LBPRGKRZSA-N	1	1	214.353	1.175	20	70		BDIDMO
CCSCC[N@H+]1CCCC[C@@H]1CC(N)=O	ZINC000159856577	351019020	/nfs/dbraw/zinc/01/90/20/351019020.db2.gz	VMGYRIXGXGISPN-SNVBAGLBSA-N	1	1	230.377	1.469	20	70		BDIDMO
CC[N@@H+](C)CCNC(=O)CCC(C)(C)C	ZINC000160145966	353304967	/nfs/dbraw/zinc/30/49/67/353304967.db2.gz	YSLYATNDCPIHEF-UHFFFAOYSA-N	1	1	214.353	1.881	20	70		BDIDMO
Cc1nccc(N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)n1	ZINC000160425825	188334607	/nfs/dbraw/zinc/33/46/07/188334607.db2.gz	RJIMKIQSMSROJJ-CMPLNLGQSA-N	1	1	234.347	1.561	20	70		BDIDMO
Cc1ncsc1C[N@H+](C)C[C@H](C)CO	ZINC000160948106	538456087	/nfs/dbraw/zinc/45/60/87/538456087.db2.gz	YXUCCXPKRIPHQP-QMMMGPOBSA-N	1	1	214.334	1.512	20	70		BDIDMO
CC[C@H]1C[N@@H+](C[C@@H](O)C(C)(C)C)CCO1	ZINC000216922608	134178640	/nfs/dbraw/zinc/17/86/40/134178640.db2.gz	KNOIPHJPRACUFP-WDEREUQCSA-N	1	1	215.337	1.504	20	70		BDIDMO
CCN(CC)C(=O)N1CC[N@@H+](CC)[C@@H](C)C1	ZINC000159771268	538879221	/nfs/dbraw/zinc/87/92/21/538879221.db2.gz	YWYKFGRBBYZEKH-NSHDSACASA-N	1	1	227.352	1.474	20	70		BDIDMO
CCOCCC[N@H+]1CCC[C@@H]1C[C@@H](C)O	ZINC000159374128	361232503	/nfs/dbraw/zinc/23/25/03/361232503.db2.gz	IKNUDFXWOMDYFV-VXGBXAGGSA-N	1	1	215.337	1.648	20	70		BDIDMO
CC(C)C[C@@H]1CCN(C(=O)[C@H]2CSC[NH2+]2)C1	ZINC000159609990	361265843	/nfs/dbraw/zinc/26/58/43/361265843.db2.gz	KILCMSUZEPJBHF-WDEREUQCSA-N	1	1	242.388	1.544	20	70		BDIDMO
COC(=O)[C@@H](C1CC1)[N@H+](C)CCSC	ZINC000160112894	361299714	/nfs/dbraw/zinc/29/97/14/361299714.db2.gz	XGUBPSURYPFVMR-SECBINFHSA-N	1	1	217.334	1.233	20	70		BDIDMO
COC(=O)[C@@H](C1CC1)[N@@H+](C)CCSC	ZINC000160112894	361299720	/nfs/dbraw/zinc/29/97/20/361299720.db2.gz	XGUBPSURYPFVMR-SECBINFHSA-N	1	1	217.334	1.233	20	70		BDIDMO
C[N@H+]1CCC[C@H]1CNc1ncnc2c1CCCC2	ZINC000217802137	372014306	/nfs/dbraw/zinc/01/43/06/372014306.db2.gz	DZTIUTIZCPQGAT-NSHDSACASA-N	1	1	246.358	1.862	20	70		BDIDMO
Cc1cccc(N2CCC(n3ccnn3)CC2)[nH+]1	ZINC000160204280	384392554	/nfs/dbraw/zinc/39/25/54/384392554.db2.gz	BSUSBJLJPPXDDS-UHFFFAOYSA-N	1	1	243.314	1.823	20	70		BDIDMO
C[C@H](CO)[N@@H+](C)C[C@@H](O)c1ccccc1	ZINC000218147923	386224847	/nfs/dbraw/zinc/22/48/47/386224847.db2.gz	YPKGWHCOIOLMHP-ZYHUDNBSSA-N	1	1	209.289	1.033	20	70		BDIDMO
CC(C)OCC[N@@H+]1CCC[C@H]1C[C@@H](C)O	ZINC000159362623	388009006	/nfs/dbraw/zinc/00/90/06/388009006.db2.gz	GRYPPCGTXSPBKI-NEPJUHHUSA-N	1	1	215.337	1.647	20	70		BDIDMO
CC(C)[N@@H+](CCO)CCc1nccs1	ZINC000159745721	388029191	/nfs/dbraw/zinc/02/91/91/388029191.db2.gz	QQQBMLNXXODOJH-UHFFFAOYSA-N	1	1	214.334	1.388	20	70		BDIDMO
CC[C@H]([NH2+]CC(N)=O)c1ccc(F)cc1F	ZINC000160668512	388082537	/nfs/dbraw/zinc/08/25/37/388082537.db2.gz	TXWMFLPBRWXKLL-JTQLQIEISA-N	1	1	228.242	1.491	20	70		BDIDMO
Cn1cnnc1C[N@H+](C)CCc1ccccc1	ZINC000160803712	388091548	/nfs/dbraw/zinc/09/15/48/388091548.db2.gz	KOCFLMAXPDXAJC-UHFFFAOYSA-N	1	1	230.315	1.490	20	70		BDIDMO
Cn1cnnc1C[N@@H+](C)CCc1ccccc1	ZINC000160803712	388091550	/nfs/dbraw/zinc/09/15/50/388091550.db2.gz	KOCFLMAXPDXAJC-UHFFFAOYSA-N	1	1	230.315	1.490	20	70		BDIDMO
CC[C@@](C)(O)C[N@H+](C)CC(=O)OC(C)(C)C	ZINC000160801629	388091914	/nfs/dbraw/zinc/09/19/14/388091914.db2.gz	BYNYNSTUSMGIGD-GFCCVEGCSA-N	1	1	231.336	1.421	20	70		BDIDMO
CC[C@@](C)(O)C[N@@H+](C)CC(=O)OC(C)(C)C	ZINC000160801629	388091916	/nfs/dbraw/zinc/09/19/16/388091916.db2.gz	BYNYNSTUSMGIGD-GFCCVEGCSA-N	1	1	231.336	1.421	20	70		BDIDMO
CCCCOCC[N@@H+](C)C[C@H]1CCC[C@@H]1O	ZINC000159795232	323048093	/nfs/dbraw/zinc/04/80/93/323048093.db2.gz	KISXVMGOXCFJHH-OLZOCXBDSA-N	1	1	229.364	1.896	20	70		BDIDMO
CCCCOCC[N@@H+](C)C[C@@H]1CCC[C@@H]1O	ZINC000159795092	323048143	/nfs/dbraw/zinc/04/81/43/323048143.db2.gz	KISXVMGOXCFJHH-STQMWFEESA-N	1	1	229.364	1.896	20	70		BDIDMO
CC[C@@H]1CCC[N@H+](Cc2nncn2C)C1	ZINC000160781892	323075698	/nfs/dbraw/zinc/07/56/98/323075698.db2.gz	OYOCMZPVDRCPJA-SNVBAGLBSA-N	1	1	208.309	1.437	20	70		BDIDMO
CC[C@@H]1CCC[N@@H+](Cc2nncn2C)C1	ZINC000160781892	323075699	/nfs/dbraw/zinc/07/56/99/323075699.db2.gz	OYOCMZPVDRCPJA-SNVBAGLBSA-N	1	1	208.309	1.437	20	70		BDIDMO
CC[N@H+](CCc1ccccc1)Cc1nncn1C	ZINC000160799664	323135883	/nfs/dbraw/zinc/13/58/83/323135883.db2.gz	CCXSEWQSFGZFAG-UHFFFAOYSA-N	1	1	244.342	1.880	20	70		BDIDMO
CC[N@@H+](CCc1ccccc1)Cc1nncn1C	ZINC000160799664	323135884	/nfs/dbraw/zinc/13/58/84/323135884.db2.gz	CCXSEWQSFGZFAG-UHFFFAOYSA-N	1	1	244.342	1.880	20	70		BDIDMO
C[C@H]1CCCC[N@H+]1CCCCS(C)(=O)=O	ZINC000161096521	538914109	/nfs/dbraw/zinc/91/41/09/538914109.db2.gz	BZRNXDUUDJZARM-NSHDSACASA-N	1	1	233.377	1.686	20	70		BDIDMO
CN1CCC[C@H]1CC[N@@H+]1CCCSCC1	ZINC000161477095	349458113	/nfs/dbraw/zinc/45/81/13/349458113.db2.gz	XZWLRIQSLACOIH-LBPRGKRZSA-N	1	1	228.405	1.910	20	70		BDIDMO
CN1CCC[C@H]1CC[N@H+]1CCCSCC1	ZINC000161477095	349458119	/nfs/dbraw/zinc/45/81/19/349458119.db2.gz	XZWLRIQSLACOIH-LBPRGKRZSA-N	1	1	228.405	1.910	20	70		BDIDMO
CCc1nnc(C[N@@H+]2CCC[C@H]2C(C)(C)O)[nH]1	ZINC000159414528	136214206	/nfs/dbraw/zinc/21/42/06/136214206.db2.gz	ZBFACKWILRABGF-VIFPVBQESA-N	1	1	238.335	1.102	20	70		BDIDMO
CCc1nnc(C[N@H+]2CCC[C@H]2C(C)(C)O)[nH]1	ZINC000159414528	136214207	/nfs/dbraw/zinc/21/42/07/136214207.db2.gz	ZBFACKWILRABGF-VIFPVBQESA-N	1	1	238.335	1.102	20	70		BDIDMO
O=C1CC[N@@H+](CCC2CCCC2)CCN1	ZINC000160471777	136277186	/nfs/dbraw/zinc/27/71/86/136277186.db2.gz	SWHGEHSGRMDKSQ-UHFFFAOYSA-N	1	1	210.321	1.389	20	70		BDIDMO
C(C[NH+]1CCOCC1)SC[C@@H]1CCCCO1	ZINC000159839399	323050327	/nfs/dbraw/zinc/05/03/27/323050327.db2.gz	RMRHVKXPJOIRGT-LBPRGKRZSA-N	1	1	245.388	1.621	20	70		BDIDMO
Cc1ccc(C[N@H+](C)[C@@H]2CCOC2)nc1	ZINC000160065657	323059307	/nfs/dbraw/zinc/05/93/07/323059307.db2.gz	ZDYYXLVFFXMJIV-GFCCVEGCSA-N	1	1	206.289	1.611	20	70		BDIDMO
CCC[N@@H+](CCCOCC)CC(=O)N(C)C	ZINC000159499809	345437935	/nfs/dbraw/zinc/43/79/35/345437935.db2.gz	KGDRYGIBSHQKME-UHFFFAOYSA-N	1	1	230.352	1.213	20	70		BDIDMO
CCc1nc(CN(C)[C@@H]2CCSC2)n[nH]1	ZINC000159547384	345442138	/nfs/dbraw/zinc/44/21/38/345442138.db2.gz	KTTPRXPGRBZAQV-MRVPVSSYSA-N	1	1	226.349	1.304	20	70		BDIDMO
CCC[N@H+]1CCCN(C(=O)C2CC2)CC1	ZINC000160384185	347874518	/nfs/dbraw/zinc/87/45/18/347874518.db2.gz	RSVYDYSTSHGCAO-UHFFFAOYSA-N	1	1	210.321	1.341	20	70		BDIDMO
C[N@H+]1CCC[C@@H]1CCN1CCOC(C)(C)C1	ZINC000161402136	349429514	/nfs/dbraw/zinc/42/95/14/349429514.db2.gz	XWSDVUGNMGZJHU-GFCCVEGCSA-N	1	1	226.364	1.582	20	70		BDIDMO
CCSCC[N@H+]1CCC[C@H]1C[C@@H](C)O	ZINC000159373987	350140101	/nfs/dbraw/zinc/14/01/01/350140101.db2.gz	KEOPQWDENCCJFU-MNOVXSKESA-N	1	1	217.378	1.975	20	70		BDIDMO
CC(C)[N@@H+](CCCN1CCCCC1)C[C@@H](C)O	ZINC000161008572	384471730	/nfs/dbraw/zinc/47/17/30/384471730.db2.gz	IDGUSBYNEXKSMO-CQSZACIVSA-N	1	1	242.407	1.954	20	70		BDIDMO
CC(C)[N@H+](CCCN1CCCCC1)C[C@@H](C)O	ZINC000161008572	384471737	/nfs/dbraw/zinc/47/17/37/384471737.db2.gz	IDGUSBYNEXKSMO-CQSZACIVSA-N	1	1	242.407	1.954	20	70		BDIDMO
CCc1nnc(C[N@H+](C)CC2CCOCC2)[nH]1	ZINC000160211780	384661306	/nfs/dbraw/zinc/66/13/06/384661306.db2.gz	GIPNKOXGXWLPON-UHFFFAOYSA-N	1	1	238.335	1.226	20	70		BDIDMO
CCc1nnc(C[N@@H+](C)CC2CCOCC2)[nH]1	ZINC000160211780	384661315	/nfs/dbraw/zinc/66/13/15/384661315.db2.gz	GIPNKOXGXWLPON-UHFFFAOYSA-N	1	1	238.335	1.226	20	70		BDIDMO
CC[N@@H+](CCOC)Cc1ccc(CO)o1	ZINC000161157244	384852611	/nfs/dbraw/zinc/85/26/11/384852611.db2.gz	AVDGYBNLUXYBNA-UHFFFAOYSA-N	1	1	213.277	1.240	20	70		BDIDMO
C(C[NH+]1CCOCC1)SCC1CC1	ZINC000159849810	386350071	/nfs/dbraw/zinc/35/00/71/386350071.db2.gz	KRAPWAFTQMNUHN-UHFFFAOYSA-N	1	1	201.335	1.462	20	70		BDIDMO
CC(C)OCC[N@@H+]1CCC[C@@H]1C[C@@H](C)O	ZINC000159362477	388009371	/nfs/dbraw/zinc/00/93/71/388009371.db2.gz	GRYPPCGTXSPBKI-VXGBXAGGSA-N	1	1	215.337	1.647	20	70		BDIDMO
c1cn(CC[N@@H+](C[C@H]2CCOC2)C2CC2)cn1	ZINC000159744984	388029649	/nfs/dbraw/zinc/02/96/49/388029649.db2.gz	DMCBJOWANWHHIQ-GFCCVEGCSA-N	1	1	235.331	1.384	20	70		BDIDMO
CCCC[N@@H+](C)CCCS(=O)(=O)C(C)C	ZINC000160480171	388070663	/nfs/dbraw/zinc/07/06/63/388070663.db2.gz	MYQGDBRLRZFHRR-UHFFFAOYSA-N	1	1	235.393	1.932	20	70		BDIDMO
COc1c(C)c[nH+]c(CN2CCOCC2)c1C	ZINC000160960501	388105836	/nfs/dbraw/zinc/10/58/36/388105836.db2.gz	TZNNNXWHXWTBQN-UHFFFAOYSA-N	1	1	236.315	1.539	20	70		BDIDMO
CCC[C@H](C)[N@H+]1CCO[C@@H](CC(=O)OC)C1	ZINC000218592289	388583721	/nfs/dbraw/zinc/58/37/21/388583721.db2.gz	RHKVNPCNYZZZGY-QWRGUYRKSA-N	1	1	229.320	1.439	20	70		BDIDMO
C[C@H](N)C[NH2+][C@@H](C)Cc1ccc(F)cc1	ZINC000218300027	487647352	/nfs/dbraw/zinc/64/73/52/487647352.db2.gz	XIYHAARGCWDGHR-UWVGGRQHSA-N	1	1	210.296	1.694	20	70		BDIDMO
C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccn(C)c1	ZINC000159575327	323038388	/nfs/dbraw/zinc/03/83/88/323038388.db2.gz	HCAWKMJHWOVMID-JQWIXIFHSA-N	1	1	235.331	1.111	20	70		BDIDMO
Cn1cnnc1C[N@H+](C)C1CCCCC1	ZINC000160671120	323101752	/nfs/dbraw/zinc/10/17/52/323101752.db2.gz	RFDHGTNLUAIRQR-UHFFFAOYSA-N	1	1	208.309	1.580	20	70		BDIDMO
Cn1cnnc1C[N@@H+](C)C1CCCCC1	ZINC000160671120	323101753	/nfs/dbraw/zinc/10/17/53/323101753.db2.gz	RFDHGTNLUAIRQR-UHFFFAOYSA-N	1	1	208.309	1.580	20	70		BDIDMO
C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2nncn2C)C1	ZINC000160776380	323134726	/nfs/dbraw/zinc/13/47/26/323134726.db2.gz	CUPNGMCIKXFNBR-GHMZBOCLSA-N	1	1	222.336	1.826	20	70		BDIDMO
CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@@H](C)CO	ZINC000160921403	538913276	/nfs/dbraw/zinc/91/32/76/538913276.db2.gz	UHEOXWMCOKTZBR-GMTAPVOTSA-N	1	1	201.310	1.114	20	70		BDIDMO
CC[N@@H+](CCCOC)Cc1cnn(C)c1	ZINC000161124861	398341540	/nfs/dbraw/zinc/34/15/40/398341540.db2.gz	JSUQBTHBLXPVSJ-UHFFFAOYSA-N	1	1	211.309	1.279	20	70		BDIDMO
CCC[C@H](O)C[N@H+]1CCCO[C@@H](C)C1	ZINC000217595216	136277828	/nfs/dbraw/zinc/27/78/28/136277828.db2.gz	ILIOLQFNVGLTFH-QWRGUYRKSA-N	1	1	201.310	1.258	20	70		BDIDMO
CCc1nc(CN2[C@@H](CO)CCC[C@@H]2C)n[nH]1	ZINC000159399190	345430549	/nfs/dbraw/zinc/43/05/49/345430549.db2.gz	KEQRIAQONOCEJD-VHSXEESVSA-N	1	1	238.335	1.102	20	70		BDIDMO
CCc1nnc(C[N@@H+](C)[C@@H](CC)CSC)[nH]1	ZINC000160254755	345846220	/nfs/dbraw/zinc/84/62/20/345846220.db2.gz	FAZPZEQAGLOEDT-VIFPVBQESA-N	1	1	242.392	1.941	20	70		BDIDMO
CCc1nnc(C[N@H+](C)[C@@H](CC)CSC)[nH]1	ZINC000160254755	345846223	/nfs/dbraw/zinc/84/62/23/345846223.db2.gz	FAZPZEQAGLOEDT-VIFPVBQESA-N	1	1	242.392	1.941	20	70		BDIDMO
CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)N(C)C	ZINC000161051895	346473416	/nfs/dbraw/zinc/47/34/16/346473416.db2.gz	WWERREHOUICEFV-LLVKDONJSA-N	1	1	235.331	1.380	20	70		BDIDMO
CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)N(C)C	ZINC000161051895	346473419	/nfs/dbraw/zinc/47/34/19/346473419.db2.gz	WWERREHOUICEFV-LLVKDONJSA-N	1	1	235.331	1.380	20	70		BDIDMO
Cc1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)ccc1F	ZINC000160329480	347249093	/nfs/dbraw/zinc/24/90/93/347249093.db2.gz	MTWVXOMEXVTEDA-GFCCVEGCSA-N	1	1	236.290	1.584	20	70		BDIDMO
Cc1cc(C[N@H+]2CCC[C@@H]2C(N)=O)ccc1F	ZINC000160329480	347249096	/nfs/dbraw/zinc/24/90/96/347249096.db2.gz	MTWVXOMEXVTEDA-GFCCVEGCSA-N	1	1	236.290	1.584	20	70		BDIDMO
COCCC[N@@H+](C)CCC[NH+]1CCCCC1	ZINC000161296148	349417332	/nfs/dbraw/zinc/41/73/32/349417332.db2.gz	JSKFENCQHFBVAD-UHFFFAOYSA-N	1	1	228.380	1.831	20	70		BDIDMO
COCCC[N@H+](C)CCCN1CCCCC1	ZINC000161296148	349417334	/nfs/dbraw/zinc/41/73/34/349417334.db2.gz	JSKFENCQHFBVAD-UHFFFAOYSA-N	1	1	228.380	1.831	20	70		BDIDMO
COCCC[N@@H+](C)CCCN1CCCCC1	ZINC000161296148	349417336	/nfs/dbraw/zinc/41/73/36/349417336.db2.gz	JSKFENCQHFBVAD-UHFFFAOYSA-N	1	1	228.380	1.831	20	70		BDIDMO
COCCCN(C)CCC[NH+]1CCCCC1	ZINC000161296148	349417337	/nfs/dbraw/zinc/41/73/37/349417337.db2.gz	JSKFENCQHFBVAD-UHFFFAOYSA-N	1	1	228.380	1.831	20	70		BDIDMO
COC(=O)C1([N@H+](C)CCOC(C)C)CCCC1	ZINC000159384012	350089343	/nfs/dbraw/zinc/08/93/43/350089343.db2.gz	VQJIMTKGRFCTJB-UHFFFAOYSA-N	1	1	243.347	1.829	20	70		BDIDMO
COC(=O)C1([N@@H+](C)CCOC(C)C)CCCC1	ZINC000159384012	350089346	/nfs/dbraw/zinc/08/93/46/350089346.db2.gz	VQJIMTKGRFCTJB-UHFFFAOYSA-N	1	1	243.347	1.829	20	70		BDIDMO
CCSCC[N@H+]1CCC[C@@H]1C[C@@H](C)O	ZINC000159373849	350137636	/nfs/dbraw/zinc/13/76/36/350137636.db2.gz	KEOPQWDENCCJFU-GHMZBOCLSA-N	1	1	217.378	1.975	20	70		BDIDMO
CCN(C)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1	ZINC000160865231	350867392	/nfs/dbraw/zinc/86/73/92/350867392.db2.gz	WSZLATDUEVKZOB-NSHDSACASA-N	1	1	239.363	1.665	20	70		BDIDMO
CCCCOCCN1CC[C@H]([NH3+])[C@@H](C)C1	ZINC000218738716	134259865	/nfs/dbraw/zinc/25/98/65/134259865.db2.gz	JDFQWRCPTCOMSZ-RYUDHWBXSA-N	1	1	214.353	1.472	20	70		BDIDMO
CCC[C@@H]1CNCC[N@H+]1CCCCOC	ZINC000159593560	361260138	/nfs/dbraw/zinc/26/01/38/361260138.db2.gz	DWWZBMHPDSGVKF-GFCCVEGCSA-N	1	1	214.353	1.487	20	70		BDIDMO
CCC[C@@H]1C[NH2+]CCN1CCCCOC	ZINC000159593560	361260143	/nfs/dbraw/zinc/26/01/43/361260143.db2.gz	DWWZBMHPDSGVKF-GFCCVEGCSA-N	1	1	214.353	1.487	20	70		BDIDMO
CC(C)C[C@H]1CCN(C(=O)[C@H]2CSC[NH2+]2)C1	ZINC000159610129	361266623	/nfs/dbraw/zinc/26/66/23/361266623.db2.gz	KILCMSUZEPJBHF-GHMZBOCLSA-N	1	1	242.388	1.544	20	70		BDIDMO
COC(=O)C1([N@@H+](C)CCCCCO)CCCC1	ZINC000159366122	206090639	/nfs/dbraw/zinc/09/06/39/206090639.db2.gz	GHSQDIVBPHTXGR-UHFFFAOYSA-N	1	1	243.347	1.567	20	70		BDIDMO
CC[N@@H+](C)CCN[C@H](C)c1cscn1	ZINC000161174594	384470407	/nfs/dbraw/zinc/47/04/07/384470407.db2.gz	LUSABZUPZCTUBQ-SECBINFHSA-N	1	1	213.350	1.745	20	70		BDIDMO
CC[N@@H+](CCO)Cc1ccc(F)cc1C	ZINC000161228814	384933864	/nfs/dbraw/zinc/93/38/64/384933864.db2.gz	ZOICLTIZJXLEIE-UHFFFAOYSA-N	1	1	211.280	1.948	20	70		BDIDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCO1	ZINC000161084217	385151153	/nfs/dbraw/zinc/15/11/53/385151153.db2.gz	DQCDOLISRWQCRK-NEPJUHHUSA-N	1	1	240.347	1.156	20	70		BDIDMO
CSCCN(C)C[C@@]1(C)CC[NH2+]C1	ZINC000160063802	387042001	/nfs/dbraw/zinc/04/20/01/387042001.db2.gz	UFLMQBAVLDLKJQ-JTQLQIEISA-N	1	1	202.367	1.281	20	70		BDIDMO
CCC[N@@H+](CCO)Cc1ccc2c[nH]nc2c1	ZINC000161202826	387148988	/nfs/dbraw/zinc/14/89/88/387148988.db2.gz	MHRUONAZYVDJHY-UHFFFAOYSA-N	1	1	233.315	1.767	20	70		BDIDMO
C(C[N@H+]1CCCSCC1)OC[C@H]1CCCO1	ZINC000161481664	387227857	/nfs/dbraw/zinc/22/78/57/387227857.db2.gz	JSWHHZIQUBPVKH-GFCCVEGCSA-N	1	1	245.388	1.621	20	70		BDIDMO
CCOCCC[NH+]1CCN(CC2CC2)CC1	ZINC000159406594	388013483	/nfs/dbraw/zinc/01/34/83/388013483.db2.gz	RCSSDFPTRBUKPV-UHFFFAOYSA-N	1	1	226.364	1.441	20	70		BDIDMO
CCc1cc(N(C)[C@@H](C)CO)nc(C)[nH+]1	ZINC000159601984	388022744	/nfs/dbraw/zinc/02/27/44/388022744.db2.gz	HQQSKKUTYNRYSQ-QMMMGPOBSA-N	1	1	209.293	1.164	20	70		BDIDMO
c1cnn([C@H]2CCC[N@H+](CCOCC3CC3)C2)c1	ZINC000160250572	388055286	/nfs/dbraw/zinc/05/52/86/388055286.db2.gz	FMJROTMMODNWBG-AWEZNQCLSA-N	1	1	249.358	1.947	20	70		BDIDMO
CCOCCC[N@H+]1CCC[C@H](n2cccn2)C1	ZINC000160254412	388055393	/nfs/dbraw/zinc/05/53/93/388055393.db2.gz	RQGMTVFGAXEDRY-ZDUSSCGKSA-N	1	1	237.347	1.947	20	70		BDIDMO
CC[C@](C)(O)C[N@H+]1CCC[C@@H](COC)C1	ZINC000217974438	388574550	/nfs/dbraw/zinc/57/45/50/388574550.db2.gz	XRYXQIQFGBLAPH-NEPJUHHUSA-N	1	1	215.337	1.506	20	70		BDIDMO
CC[C@@](C)(O)C[N@H+](C)Cc1nccs1	ZINC000161362202	171177602	/nfs/dbraw/zinc/17/76/02/171177602.db2.gz	JFDHOGUAJOGMGI-SNVBAGLBSA-N	1	1	214.334	1.736	20	70		BDIDMO
CC[C@@](C)(O)C[N@@H+](C)Cc1nccs1	ZINC000161362202	171177603	/nfs/dbraw/zinc/17/76/03/171177603.db2.gz	JFDHOGUAJOGMGI-SNVBAGLBSA-N	1	1	214.334	1.736	20	70		BDIDMO
CCc1ncnc(NC[C@@H]2CCC[N@H+]2C)c1F	ZINC000217991263	172031626	/nfs/dbraw/zinc/03/16/26/172031626.db2.gz	ZUHLDGLZVMZLPQ-VIFPVBQESA-N	1	1	238.310	1.684	20	70		BDIDMO
CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccccc2)C1	ZINC000216653000	173308945	/nfs/dbraw/zinc/30/89/45/173308945.db2.gz	UYPBZHJAYUBTLG-CQSZACIVSA-N	1	1	232.327	1.645	20	70		BDIDMO
COCCC[N@@H+](C)Cc1cc(O)cc(F)c1	ZINC000159837606	174218312	/nfs/dbraw/zinc/21/83/12/174218312.db2.gz	DBPHLACPGHCMIT-UHFFFAOYSA-N	1	1	227.279	2.000	20	70		BDIDMO
C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cnc(N)s1	ZINC000161298681	177319964	/nfs/dbraw/zinc/31/99/64/177319964.db2.gz	KUBIDTKLKSNXQK-JGVFFNPUSA-N	1	1	211.334	1.956	20	70		BDIDMO
C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cccs1	ZINC000159682377	323043744	/nfs/dbraw/zinc/04/37/44/323043744.db2.gz	PWLJFPYGEJIDGY-ZJUUUORDSA-N	1	1	238.356	1.834	20	70		BDIDMO
CC(C)C[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+]1C	ZINC000159710486	323044453	/nfs/dbraw/zinc/04/44/53/323044453.db2.gz	BXCQTDOJEFVKII-RYUDHWBXSA-N	1	1	241.379	1.814	20	70		BDIDMO
CS[C@H](C)CNC(=O)NC[C@H]1CCC[N@H+]1C	ZINC000159720192	323044618	/nfs/dbraw/zinc/04/46/18/323044618.db2.gz	OYKUUOKZUQOIAR-NXEZZACHSA-N	1	1	245.392	1.131	20	70		BDIDMO
CCOC(=O)CCC[N@@H+](C)C[C@H]1CCC[C@@H]1O	ZINC000159807875	323048968	/nfs/dbraw/zinc/04/89/68/323048968.db2.gz	YKKKWCJALZHIQK-NEPJUHHUSA-N	1	1	243.347	1.423	20	70		BDIDMO
CCC[N@@H+](CC)CCNC(=O)CO[C@@H](C)CC	ZINC000159911940	323053718	/nfs/dbraw/zinc/05/37/18/323053718.db2.gz	QKRICZYARBPCJO-LBPRGKRZSA-N	1	1	244.379	1.650	20	70		BDIDMO
Cc1ccc(C[N@H+](C)[C@H]2CCOC2)nc1	ZINC000160065813	323059378	/nfs/dbraw/zinc/05/93/78/323059378.db2.gz	ZDYYXLVFFXMJIV-LBPRGKRZSA-N	1	1	206.289	1.611	20	70		BDIDMO
CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(=O)NC(=O)NC	ZINC000160558537	323071304	/nfs/dbraw/zinc/07/13/04/323071304.db2.gz	YMPIZGWQPSMZHN-UWVGGRQHSA-N	1	1	243.351	1.199	20	70		BDIDMO
CS[C@@H](C)CC(=O)NC[C@@H]1CC[N@@H+](C)C1	ZINC000160654786	323075515	/nfs/dbraw/zinc/07/55/15/323075515.db2.gz	BVCXFVCDVYFFHZ-UWVGGRQHSA-N	1	1	230.377	1.196	20	70		BDIDMO
CCCNC(=O)[C@H](C)[N@H+](CC)Cc1ccccn1	ZINC000161055115	323145060	/nfs/dbraw/zinc/14/50/60/323145060.db2.gz	CMBNCZMHATUUQE-LBPRGKRZSA-N	1	1	249.358	1.818	20	70		BDIDMO
CCCNC(=O)[C@H](C)[N@@H+](CC)Cc1ccccn1	ZINC000161055115	323145061	/nfs/dbraw/zinc/14/50/61/323145061.db2.gz	CMBNCZMHATUUQE-LBPRGKRZSA-N	1	1	249.358	1.818	20	70		BDIDMO
CC1(C)C[C@H]1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1	ZINC000160137431	323061221	/nfs/dbraw/zinc/06/12/21/323061221.db2.gz	BDLNTQWUEGGQOA-PWSUYJOCSA-N	1	1	236.359	1.633	20	70		BDIDMO
C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@H]1CC=CCC1	ZINC000159530374	345441389	/nfs/dbraw/zinc/44/13/89/345441389.db2.gz	WDVXBRDONMOOLJ-RWMBFGLXSA-N	1	1	236.359	1.929	20	70		BDIDMO
CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21	ZINC000159654154	345450966	/nfs/dbraw/zinc/45/09/66/345450966.db2.gz	GJOQLNWJQNLFRC-RYUDHWBXSA-N	1	1	224.348	1.776	20	70		BDIDMO
CC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1	ZINC000159663313	345462839	/nfs/dbraw/zinc/46/28/39/345462839.db2.gz	LXGQKESIQVKZLN-UTUOFQBUSA-N	1	1	240.347	1.012	20	70		BDIDMO
CC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000159663313	345462840	/nfs/dbraw/zinc/46/28/40/345462840.db2.gz	LXGQKESIQVKZLN-UTUOFQBUSA-N	1	1	240.347	1.012	20	70		BDIDMO
CCOCCC[N@H+]1CCCC[C@H]1CC(N)=O	ZINC000159860226	345571859	/nfs/dbraw/zinc/57/18/59/345571859.db2.gz	GOICJSHZOMBXOF-NSHDSACASA-N	1	1	228.336	1.143	20	70		BDIDMO
CCOCCC[N@H+](C)CC(=O)OC(C)(C)C	ZINC000160124305	345802190	/nfs/dbraw/zinc/80/21/90/345802190.db2.gz	LGNRKCQPVALAET-UHFFFAOYSA-N	1	1	231.336	1.687	20	70		BDIDMO
CCOCCC[N@@H+](C)CC(=O)OC(C)(C)C	ZINC000160124305	345802192	/nfs/dbraw/zinc/80/21/92/345802192.db2.gz	LGNRKCQPVALAET-UHFFFAOYSA-N	1	1	231.336	1.687	20	70		BDIDMO
CC1CCN(C(=O)N2CCC[N@@H+](C)CC2)CC1	ZINC000160339275	347464731	/nfs/dbraw/zinc/46/47/31/347464731.db2.gz	YLMYDGOZPFRRND-UHFFFAOYSA-N	1	1	239.363	1.476	20	70		BDIDMO
C[C@H](CC(N)=O)Nc1[nH]c2ccccc2[nH+]1	ZINC000160553477	349194260	/nfs/dbraw/zinc/19/42/60/349194260.db2.gz	DIUNTASFZHFEPB-SSDOTTSWSA-N	1	1	218.260	1.239	20	70		BDIDMO
OC[C@@H]1CCC[N@@H+]1CCCN1CCCCC1	ZINC000161338411	349424409	/nfs/dbraw/zinc/42/44/09/349424409.db2.gz	CUMWSYLUYVYMRC-ZDUSSCGKSA-N	1	1	226.364	1.319	20	70		BDIDMO
OC[C@@H]1CCC[N@H+]1CCCN1CCCCC1	ZINC000161338411	349424412	/nfs/dbraw/zinc/42/44/12/349424412.db2.gz	CUMWSYLUYVYMRC-ZDUSSCGKSA-N	1	1	226.364	1.319	20	70		BDIDMO
OC[C@@H]1CCCN1CCC[NH+]1CCCCC1	ZINC000161338411	349424416	/nfs/dbraw/zinc/42/44/16/349424416.db2.gz	CUMWSYLUYVYMRC-ZDUSSCGKSA-N	1	1	226.364	1.319	20	70		BDIDMO
Cc1ncn(CCn2cc[nH+]c2C)c1C	ZINC000160703385	180287193	/nfs/dbraw/zinc/28/71/93/180287193.db2.gz	DDHLAKFQMWYAEA-UHFFFAOYSA-N	1	1	204.277	1.705	20	70		BDIDMO
CCOCCC[N@H+]1CCC[C@H](NC(=O)CC)C1	ZINC000159943798	351124827	/nfs/dbraw/zinc/12/48/27/351124827.db2.gz	FHVGPFQULJTVBP-LBPRGKRZSA-N	1	1	242.363	1.404	20	70		BDIDMO
CC[N@@H+](CCNCc1nccs1)C1CC1	ZINC000218180656	351300880	/nfs/dbraw/zinc/30/08/80/351300880.db2.gz	FFUVCNOAPKIPQY-UHFFFAOYSA-N	1	1	225.361	1.717	20	70		BDIDMO
c1cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)[nH]n1	ZINC000159611518	351870238	/nfs/dbraw/zinc/87/02/38/351870238.db2.gz	FMIMDKLHTQEZSN-SRVKXCTJSA-N	1	1	233.315	1.457	20	70		BDIDMO
CCCOCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000217722192	134250690	/nfs/dbraw/zinc/25/06/90/134250690.db2.gz	KYSAEQAHNJZOTC-NEPJUHHUSA-N	1	1	240.347	1.108	20	70		BDIDMO
CSCC[N@@H+](C)C[C@@H]1CCCC[C@@H]1O	ZINC000159502807	361241259	/nfs/dbraw/zinc/24/12/59/361241259.db2.gz	QNXWDZUFDSRBOP-QWRGUYRKSA-N	1	1	217.378	1.832	20	70		BDIDMO
CC[C@@H](C)[N@H+](C)CCN[C@@H]1CCCOC1	ZINC000160131798	541496030	/nfs/dbraw/zinc/49/60/30/541496030.db2.gz	GQYJTEYDHHAQCO-VXGBXAGGSA-N	1	1	214.353	1.485	20	70		BDIDMO
CC[C@@H](C)[N@@H+](C)CCN[C@@H]1CCCOC1	ZINC000160131798	541496035	/nfs/dbraw/zinc/49/60/35/541496035.db2.gz	GQYJTEYDHHAQCO-VXGBXAGGSA-N	1	1	214.353	1.485	20	70		BDIDMO
CC[C@](C)(O)C[N@@H+](C)C[C@@H]1CCOC1	ZINC000161427098	205525847	/nfs/dbraw/zinc/52/58/47/205525847.db2.gz	SYZNNFWAVDFTFM-QWRGUYRKSA-N	1	1	201.310	1.116	20	70		BDIDMO
CCC[N@H+]1CCCN(C(=O)C(C)(C)C)CC1	ZINC000160402118	169192015	/nfs/dbraw/zinc/19/20/15/169192015.db2.gz	JJQBTRGIUDOPPK-UHFFFAOYSA-N	1	1	226.364	1.977	20	70		BDIDMO
C[N@@H+](Cc1cc(O)cc(F)c1)[C@H]1CCOC1	ZINC000159850150	384362011	/nfs/dbraw/zinc/36/20/11/384362011.db2.gz	FCIPVOOAOQMRAT-NSHDSACASA-N	1	1	225.263	1.752	20	70		BDIDMO
CCSCC[N@H+]1CCNC(=O)[C@H]1C(C)C	ZINC000160450145	384412074	/nfs/dbraw/zinc/41/20/74/384412074.db2.gz	PIDMZQHFDLCTAB-SNVBAGLBSA-N	1	1	230.377	1.196	20	70		BDIDMO
CC(C)S(=O)(=O)CCC[N@@H+](C)CC1CC1	ZINC000160910705	384445633	/nfs/dbraw/zinc/44/56/33/384445633.db2.gz	NYXSXICDCYSADB-UHFFFAOYSA-N	1	1	233.377	1.542	20	70		BDIDMO
CCOCC[NH2+][C@@H](C)c1cscn1	ZINC000161157139	384852055	/nfs/dbraw/zinc/85/20/55/384852055.db2.gz	GPVPIACEVMRFHZ-QMMMGPOBSA-N	1	1	200.307	1.830	20	70		BDIDMO
C[N@H+]1CC[C@H](CNC(=O)N2CCCCCC2)C1	ZINC000160378155	386176828	/nfs/dbraw/zinc/17/68/28/386176828.db2.gz	NHUASVHEHAHXRK-GFCCVEGCSA-N	1	1	239.363	1.524	20	70		BDIDMO
C[C@@H]([NH2+]C[C@H](O)C(F)F)c1cscn1	ZINC000218266183	386256765	/nfs/dbraw/zinc/25/67/65/386256765.db2.gz	KIVSHCATINMKRB-VDTYLAMSSA-N	1	1	222.260	1.420	20	70		BDIDMO
C[C@H](CC(N)=O)[NH2+][C@@H](C)c1cscn1	ZINC000161228281	387155823	/nfs/dbraw/zinc/15/58/23/387155823.db2.gz	QXAZRQIXNAEPJU-RQJHMYQMSA-N	1	1	213.306	1.058	20	70		BDIDMO
CSCC[N@@H+](C)C[C@H]1CCCC[C@@H]1O	ZINC000159502944	134777914	/nfs/dbraw/zinc/77/79/14/134777914.db2.gz	QNXWDZUFDSRBOP-MNOVXSKESA-N	1	1	217.378	1.832	20	70		BDIDMO
O[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1	ZINC000161252003	398062911	/nfs/dbraw/zinc/06/29/11/398062911.db2.gz	MOSNUUJYNBSDMI-ZDUSSCGKSA-N	1	1	226.364	1.319	20	70		BDIDMO
O[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1	ZINC000161252003	398062917	/nfs/dbraw/zinc/06/29/17/398062917.db2.gz	MOSNUUJYNBSDMI-ZDUSSCGKSA-N	1	1	226.364	1.319	20	70		BDIDMO
C[C@@H]([NH2+]CCC(=O)N(C)C)c1cscn1	ZINC000161180850	175870450	/nfs/dbraw/zinc/87/04/50/175870450.db2.gz	KOWMPEZFSDGJTJ-MRVPVSSYSA-N	1	1	227.333	1.272	20	70		BDIDMO
C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccn(C)c1	ZINC000159575571	323038294	/nfs/dbraw/zinc/03/82/94/323038294.db2.gz	HCAWKMJHWOVMID-CMPLNLGQSA-N	1	1	235.331	1.111	20	70		BDIDMO
C(C[NH+]1CCOCC1)SCC1CCC1	ZINC000159884625	323051929	/nfs/dbraw/zinc/05/19/29/323051929.db2.gz	NUVGQZZPQDYYOP-UHFFFAOYSA-N	1	1	215.362	1.852	20	70		BDIDMO
CS[C@H](C)CC(=O)NC[C@@H]1CC[N@@H+](C)C1	ZINC000160654894	323075612	/nfs/dbraw/zinc/07/56/12/323075612.db2.gz	BVCXFVCDVYFFHZ-ZJUUUORDSA-N	1	1	230.377	1.196	20	70		BDIDMO
CC[C@@H]1CCCC[N@H+]1Cc1nncn1C	ZINC000160670140	323101734	/nfs/dbraw/zinc/10/17/34/323101734.db2.gz	WGHJXHPXPUFZFH-SNVBAGLBSA-N	1	1	208.309	1.580	20	70		BDIDMO
C[C@H]([NH2+]C[C@H]1COCCO1)c1cscn1	ZINC000161158840	323149453	/nfs/dbraw/zinc/14/94/53/323149453.db2.gz	MKVMMFLZIKJZLD-IUCAKERBSA-N	1	1	228.317	1.209	20	70		BDIDMO
CNCC[NH2+]CC(C)(C)c1ccccc1	ZINC000161273712	487487349	/nfs/dbraw/zinc/48/73/49/487487349.db2.gz	RRJMWPNVSVSEMP-UHFFFAOYSA-N	1	1	206.333	1.773	20	70		BDIDMO
CCCC[C@H](C(=O)OC)[N@@H+](C)CCCOC	ZINC000160798384	343079811	/nfs/dbraw/zinc/07/98/11/343079811.db2.gz	BFTIKGKARNZXPM-LLVKDONJSA-N	1	1	231.336	1.687	20	70		BDIDMO
CC(C)(O)CCSCC[NH+]1CCOCC1	ZINC000159848068	323050631	/nfs/dbraw/zinc/05/06/31/323050631.db2.gz	YQYGIAFSTWWQKY-UHFFFAOYSA-N	1	1	233.377	1.213	20	70		BDIDMO
CCc1nnc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)[nH]1	ZINC000160194519	323063047	/nfs/dbraw/zinc/06/30/47/323063047.db2.gz	MYOABVXXWRHDPR-VHSXEESVSA-N	1	1	222.336	1.845	20	70		BDIDMO
CCc1nnc(C[N@H+]2CC[C@H](C)[C@H](C)C2)[nH]1	ZINC000160194519	323063048	/nfs/dbraw/zinc/06/30/48/323063048.db2.gz	MYOABVXXWRHDPR-VHSXEESVSA-N	1	1	222.336	1.845	20	70		BDIDMO
CCN(CC)[C@@H](C)C[NH2+]Cc1cn(C)nc1C	ZINC000159846615	345563366	/nfs/dbraw/zinc/56/33/66/345563366.db2.gz	WSKITSYBRJASHR-NSHDSACASA-N	1	1	238.379	1.548	20	70		BDIDMO
CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC2(C)C)C1	ZINC000160125584	345801555	/nfs/dbraw/zinc/80/15/55/345801555.db2.gz	RCQZNSRXHJAVOL-QWRGUYRKSA-N	1	1	224.348	1.491	20	70		BDIDMO
COC[C@H](C)[NH2+][C@@H](C)c1cscn1	ZINC000161127143	345925833	/nfs/dbraw/zinc/92/58/33/345925833.db2.gz	CYEWUGBEFFGBGP-YUMQZZPRSA-N	1	1	200.307	1.829	20	70		BDIDMO
CCc1nc(Cn2c[nH+]c3c2CCCC3)no1	ZINC000160726307	346463105	/nfs/dbraw/zinc/46/31/05/346463105.db2.gz	ZYVHOQJNAVUQDG-UHFFFAOYSA-N	1	1	232.287	1.756	20	70		BDIDMO
Cc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)cc1F	ZINC000160368638	347791296	/nfs/dbraw/zinc/79/12/96/347791296.db2.gz	YNIGMKHQYISSIA-GFCCVEGCSA-N	1	1	236.290	1.584	20	70		BDIDMO
Cc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)cc1F	ZINC000160368638	347791298	/nfs/dbraw/zinc/79/12/98/347791298.db2.gz	YNIGMKHQYISSIA-GFCCVEGCSA-N	1	1	236.290	1.584	20	70		BDIDMO
Cc1[nH+]ccn1CCS[C@H](C)[C@H](C)O	ZINC000217974937	180263550	/nfs/dbraw/zinc/26/35/50/180263550.db2.gz	NMZUTTLHWHYAOE-DTWKUNHWSA-N	1	1	214.334	1.694	20	70		BDIDMO
Cc1[nH+]ccn1CCS[C@@H](C)[C@H](C)O	ZINC000217974858	180263645	/nfs/dbraw/zinc/26/36/45/180263645.db2.gz	NMZUTTLHWHYAOE-IUCAKERBSA-N	1	1	214.334	1.694	20	70		BDIDMO
CCCC[C@H](C(=O)OC)[N@H+](C)C[C@@H](C)O	ZINC000159536958	361250532	/nfs/dbraw/zinc/25/05/32/361250532.db2.gz	ATILRYWCNXBGFS-NXEZZACHSA-N	1	1	217.309	1.031	20	70		BDIDMO
CCCC[C@H](C(=O)OC)[N@@H+](C)C[C@@H](C)O	ZINC000159536958	361250535	/nfs/dbraw/zinc/25/05/35/361250535.db2.gz	ATILRYWCNXBGFS-NXEZZACHSA-N	1	1	217.309	1.031	20	70		BDIDMO
CCCC[C@H](C(=O)OC)[N@@H+](C)CC(C)(C)O	ZINC000160813561	361329905	/nfs/dbraw/zinc/32/99/05/361329905.db2.gz	MQGWHRCPNXQRIU-SNVBAGLBSA-N	1	1	231.336	1.421	20	70		BDIDMO
CCC[N@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1	ZINC000160387934	169193510	/nfs/dbraw/zinc/19/35/10/169193510.db2.gz	DGRYLLYOQKSFGW-GFCCVEGCSA-N	1	1	240.347	1.110	20	70		BDIDMO
CCOCCC[N@@H+](C)C[C@@H]1CCCCO1	ZINC000159538142	384337716	/nfs/dbraw/zinc/33/77/16/384337716.db2.gz	DZSSVMAIKRBENM-LBPRGKRZSA-N	1	1	215.337	1.914	20	70		BDIDMO
COC(=O)[C@@H](C)[N@H+](C)CCc1ccc(F)cc1	ZINC000159560814	384341317	/nfs/dbraw/zinc/34/13/17/384341317.db2.gz	PWLWHWGXDCZLCP-SNVBAGLBSA-N	1	1	239.290	1.862	20	70		BDIDMO
COC(=O)[C@@H](C)[N@@H+](C)CCc1ccc(F)cc1	ZINC000159560814	384341325	/nfs/dbraw/zinc/34/13/25/384341325.db2.gz	PWLWHWGXDCZLCP-SNVBAGLBSA-N	1	1	239.290	1.862	20	70		BDIDMO
CC(C)[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1	ZINC000159385692	384328759	/nfs/dbraw/zinc/32/87/59/384328759.db2.gz	BZMZLPLUYAKQOK-RYUDHWBXSA-N	1	1	239.315	1.812	20	70		BDIDMO
CC(C)[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1	ZINC000159385692	384328765	/nfs/dbraw/zinc/32/87/65/384328765.db2.gz	BZMZLPLUYAKQOK-RYUDHWBXSA-N	1	1	239.315	1.812	20	70		BDIDMO
C[N@@H+](CCOCC1CC1)C[C@@H]1CCCCO1	ZINC000159536242	388020312	/nfs/dbraw/zinc/02/03/12/388020312.db2.gz	KGZRTNXWFBPGPZ-ZDUSSCGKSA-N	1	1	227.348	1.914	20	70		BDIDMO
c1[nH+]c2c(n1C[C@H]1CCCO1)CCCC2	ZINC000160719871	388085955	/nfs/dbraw/zinc/08/59/55/388085955.db2.gz	QQCKWPDGFZSBTJ-SNVBAGLBSA-N	1	1	206.289	1.941	20	70		BDIDMO
Cc1cc[nH+]c(N2CCC(n3ccnn3)CC2)c1	ZINC000160197118	132230866	/nfs/dbraw/zinc/23/08/66/132230866.db2.gz	LUUBBHIDSZKEJS-UHFFFAOYSA-N	1	1	243.314	1.823	20	70		BDIDMO
CC[C@@H]1C[N@@H+](C[C@@H](O)C(C)(C)C)CCO1	ZINC000216922590	171084696	/nfs/dbraw/zinc/08/46/96/171084696.db2.gz	KNOIPHJPRACUFP-GHMZBOCLSA-N	1	1	215.337	1.504	20	70		BDIDMO
C[N@H+]1CCCN(C(=O)c2ccc(Cl)o2)CC1	ZINC000218190754	173015280	/nfs/dbraw/zinc/01/52/80/173015280.db2.gz	ZOGJJFHVNBOFMQ-UHFFFAOYSA-N	1	1	242.706	1.711	20	70		BDIDMO
C[C@@H](C(N)=O)[N@@H+](C)Cc1cccc(N(C)C)c1	ZINC000159815671	323049212	/nfs/dbraw/zinc/04/92/12/323049212.db2.gz	ZIEIDAKDZLFHLT-JTQLQIEISA-N	1	1	235.331	1.058	20	70		BDIDMO
CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(=O)NC(=O)NC	ZINC000160558417	323071337	/nfs/dbraw/zinc/07/13/37/323071337.db2.gz	YMPIZGWQPSMZHN-ZJUUUORDSA-N	1	1	243.351	1.199	20	70		BDIDMO
CS[C@H](C)CC(=O)NC[C@H]1CC[N@@H+](C)C1	ZINC000160655155	323076290	/nfs/dbraw/zinc/07/62/90/323076290.db2.gz	BVCXFVCDVYFFHZ-NXEZZACHSA-N	1	1	230.377	1.196	20	70		BDIDMO
C[C@H](N[C@H]1CCC[N@@H+](C)C1)c1cscn1	ZINC000161162170	538914419	/nfs/dbraw/zinc/91/44/19/538914419.db2.gz	IXVQPHXMVBPYLN-UWVGGRQHSA-N	1	1	225.361	1.888	20	70		BDIDMO
C[C@H]([NH2+][C@H]1CCCN(C)C1)c1cscn1	ZINC000161162170	538914420	/nfs/dbraw/zinc/91/44/20/538914420.db2.gz	IXVQPHXMVBPYLN-UWVGGRQHSA-N	1	1	225.361	1.888	20	70		BDIDMO
COC(C[N@H+]1CCS[C@H]2CCCC[C@@H]21)OC	ZINC000161494390	349465260	/nfs/dbraw/zinc/46/52/60/349465260.db2.gz	KFSJNJXKRPYWKK-QWRGUYRKSA-N	1	1	245.388	1.965	20	70		BDIDMO
Cc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)s1	ZINC000160321567	347067916	/nfs/dbraw/zinc/06/79/16/347067916.db2.gz	GIKAIXYXOAHXAB-SNVBAGLBSA-N	1	1	224.329	1.506	20	70		BDIDMO
C[C@]1(O)CCC[N@@H+](CC2CCOCC2)C1	ZINC000160986133	323142228	/nfs/dbraw/zinc/14/22/28/323142228.db2.gz	CFXCKAXAPWGVEQ-LBPRGKRZSA-N	1	1	213.321	1.260	20	70		BDIDMO
CCCO[C@@H]1CCC[N@@H+](CC(OC)OC)CC1	ZINC000161026770	349363775	/nfs/dbraw/zinc/36/37/75/349363775.db2.gz	GPGUQBCOCHYCFY-GFCCVEGCSA-N	1	1	245.363	1.886	20	70		BDIDMO
CCCC[C@@H](C(=O)OC)[N@@H+](CC)CCCO	ZINC000160731133	361325089	/nfs/dbraw/zinc/32/50/89/361325089.db2.gz	NMVJCRNTJHSCTP-NSHDSACASA-N	1	1	231.336	1.423	20	70		BDIDMO
CNC(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)n1	ZINC000160297756	384675018	/nfs/dbraw/zinc/67/50/18/384675018.db2.gz	YXOFAYVGBRGTED-LBPRGKRZSA-N	1	1	233.315	1.273	20	70		BDIDMO
CNC(=O)C[N@H+]1CCC[C@H]1c1cccc(C)n1	ZINC000160297756	384675020	/nfs/dbraw/zinc/67/50/20/384675020.db2.gz	YXOFAYVGBRGTED-LBPRGKRZSA-N	1	1	233.315	1.273	20	70		BDIDMO
CCOCCC[N@@H+](C)C[C@H]1CCCO1	ZINC000160275453	384831884	/nfs/dbraw/zinc/83/18/84/384831884.db2.gz	UYICKLKUCJTRAJ-LLVKDONJSA-N	1	1	201.310	1.524	20	70		BDIDMO
C[C@H]([NH2+]CCC(=O)N(C)C)c1cscn1	ZINC000161180736	384882851	/nfs/dbraw/zinc/88/28/51/384882851.db2.gz	KOWMPEZFSDGJTJ-QMMMGPOBSA-N	1	1	227.333	1.272	20	70		BDIDMO
COC[C@H](C)[N@@H+](C)Cc1ccc(CO)o1	ZINC000161162859	384863832	/nfs/dbraw/zinc/86/38/32/384863832.db2.gz	MWPUKVZLTFOTQE-VIFPVBQESA-N	1	1	213.277	1.239	20	70		BDIDMO
c1ncc(CN2CC[N@H+]3CCC[C@@H]3C2)s1	ZINC000161282497	384958538	/nfs/dbraw/zinc/95/85/38/384958538.db2.gz	MEBALDTXALOXAL-SNVBAGLBSA-N	1	1	223.345	1.423	20	70		BDIDMO
CC[NH+]1CCN(C(=O)N2CCCCCC2)CC1	ZINC000160304323	387081191	/nfs/dbraw/zinc/08/11/91/387081191.db2.gz	XXBQIZHLBUKDFF-UHFFFAOYSA-N	1	1	239.363	1.620	20	70		BDIDMO
CC[C@](C)(O)C[N@H+]1CCC[C@H](CCC(N)=O)C1	ZINC000160851511	387125720	/nfs/dbraw/zinc/12/57/20/387125720.db2.gz	UTAXXWBSUNZJPB-YPMHNXCESA-N	1	1	242.363	1.125	20	70		BDIDMO
CCC[N@@H+](CCO)Cc1cnc2c(C)cccn12	ZINC000161219513	387147997	/nfs/dbraw/zinc/14/79/97/387147997.db2.gz	HDECNLHQGMIUCH-UHFFFAOYSA-N	1	1	247.342	1.847	20	70		BDIDMO
CCCn1c(C)nnc1Cn1cc[nH+]c1CC	ZINC000161440179	387211513	/nfs/dbraw/zinc/21/15/13/387211513.db2.gz	PMCOVBKYZATPLW-UHFFFAOYSA-N	1	1	233.319	1.804	20	70		BDIDMO
CC(C)S(=O)(=O)CCC[N@H+](C)C1CC1	ZINC000160792500	388091460	/nfs/dbraw/zinc/09/14/60/388091460.db2.gz	CRCNFZMZMAEXER-UHFFFAOYSA-N	1	1	219.350	1.294	20	70		BDIDMO
CC(C)S(=O)(=O)CCC[N@@H+](C)C1CC1	ZINC000160792500	388091463	/nfs/dbraw/zinc/09/14/63/388091463.db2.gz	CRCNFZMZMAEXER-UHFFFAOYSA-N	1	1	219.350	1.294	20	70		BDIDMO
C[C@H](N)C[NH2+]C1C2CC3CC(C2)CC1C3	ZINC000216715235	411590666	/nfs/dbraw/zinc/59/06/66/411590666.db2.gz	OEBFWHMMZGQAGK-DDNJXNFVSA-N	1	1	208.349	1.748	20	70		BDIDMO
COc1ccccc1C[C@@H](C)[NH2+]C[C@H](C)N	ZINC000218300804	487647321	/nfs/dbraw/zinc/64/73/21/487647321.db2.gz	UDXOIFGYNFHNMC-WDEREUQCSA-N	1	1	222.332	1.563	20	70		BDIDMO
C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cccn1C	ZINC000159685684	323043915	/nfs/dbraw/zinc/04/39/15/323043915.db2.gz	KQESGSMYDOQCQW-GHMZBOCLSA-N	1	1	235.331	1.111	20	70		BDIDMO
C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC2(C)C)C1	ZINC000160104574	323060866	/nfs/dbraw/zinc/06/08/66/323060866.db2.gz	VICGJYREMYFDEE-UWVGGRQHSA-N	1	1	210.321	1.100	20	70		BDIDMO
CC1(C)C[C@@H]1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1	ZINC000160137302	323061300	/nfs/dbraw/zinc/06/13/00/323061300.db2.gz	BDLNTQWUEGGQOA-ZYHUDNBSSA-N	1	1	236.359	1.633	20	70		BDIDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)COC	ZINC000160331391	323064833	/nfs/dbraw/zinc/06/48/33/323064833.db2.gz	DXQFMGCAHRCFOL-LLVKDONJSA-N	1	1	242.363	1.260	20	70		BDIDMO
CC[N@@H+](CCNC(=O)NC1(C)CCC1)C(C)C	ZINC000160523386	323069974	/nfs/dbraw/zinc/06/99/74/323069974.db2.gz	IXBRUFIKNRZUPA-UHFFFAOYSA-N	1	1	241.379	1.959	20	70		BDIDMO
COC(=O)CCCSCC[NH+]1CCOCC1	ZINC000159812093	323075273	/nfs/dbraw/zinc/07/52/73/323075273.db2.gz	XDYCUKUNXGGBJZ-UHFFFAOYSA-N	1	1	247.360	1.005	20	70		BDIDMO
C[C@@]1(O)CCC[N@@H+](CC2CCOCC2)C1	ZINC000160986273	323142284	/nfs/dbraw/zinc/14/22/84/323142284.db2.gz	CFXCKAXAPWGVEQ-GFCCVEGCSA-N	1	1	213.321	1.260	20	70		BDIDMO
CC[C@@H](C)[N@H+](C)CCNC(=O)C(F)(F)F	ZINC000217406696	592107723	/nfs/dbraw/zinc/10/77/23/592107723.db2.gz	HXXFTJHXULNFSK-SSDOTTSWSA-N	1	1	226.242	1.395	20	70		BDIDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(F)(F)F	ZINC000217406696	592107726	/nfs/dbraw/zinc/10/77/26/592107726.db2.gz	HXXFTJHXULNFSK-SSDOTTSWSA-N	1	1	226.242	1.395	20	70		BDIDMO
CC[C@H](NC1CC[NH+](C)CC1)c1cnn(C)c1	ZINC000161420325	349443650	/nfs/dbraw/zinc/44/36/50/349443650.db2.gz	SJNFQBZWHYJQQQ-ZDUSSCGKSA-N	1	1	236.363	1.555	20	70		BDIDMO
CCOCCC[N@@H+](C)C[C@@H]1CCCO1	ZINC000160275323	398344651	/nfs/dbraw/zinc/34/46/51/398344651.db2.gz	UYICKLKUCJTRAJ-NSHDSACASA-N	1	1	201.310	1.524	20	70		BDIDMO
CC[C@@H]([NH2+][C@H](C)C(N)=O)c1ccc(F)cc1F	ZINC000160694477	346461854	/nfs/dbraw/zinc/46/18/54/346461854.db2.gz	LPCKFCOTDULFHM-RDDDGLTNSA-N	1	1	242.269	1.879	20	70		BDIDMO
CN(C[C@H]1CCC[N@H+]1C)C(=O)NC1CCCC1	ZINC000160666275	349286347	/nfs/dbraw/zinc/28/63/47/349286347.db2.gz	GNKYXYHPLOTLHS-GFCCVEGCSA-N	1	1	239.363	1.665	20	70		BDIDMO
CC[N@@H+](CCC[NH+]1CCCCC1)CC(C)(C)O	ZINC000161360107	349423761	/nfs/dbraw/zinc/42/37/61/349423761.db2.gz	CBKYNJNKTCMJAT-UHFFFAOYSA-N	1	1	242.407	1.955	20	70		BDIDMO
CC[N@H+](CCCN1CCCCC1)CC(C)(C)O	ZINC000161360107	349423764	/nfs/dbraw/zinc/42/37/64/349423764.db2.gz	CBKYNJNKTCMJAT-UHFFFAOYSA-N	1	1	242.407	1.955	20	70		BDIDMO
CC[N@@H+](CCCN1CCCCC1)CC(C)(C)O	ZINC000161360107	349423767	/nfs/dbraw/zinc/42/37/67/349423767.db2.gz	CBKYNJNKTCMJAT-UHFFFAOYSA-N	1	1	242.407	1.955	20	70		BDIDMO
CCOCCC[N@@H+]1CC[C@H](N2CCCC2)C1	ZINC000160338677	355936293	/nfs/dbraw/zinc/93/62/93/355936293.db2.gz	CSWFSTUTJOJDTN-ZDUSSCGKSA-N	1	1	226.364	1.583	20	70		BDIDMO
CCOCCC[N@H+]1CC[C@H](N2CCCC2)C1	ZINC000160338677	355936296	/nfs/dbraw/zinc/93/62/96/355936296.db2.gz	CSWFSTUTJOJDTN-ZDUSSCGKSA-N	1	1	226.364	1.583	20	70		BDIDMO
CC[N@@H+](CC(C)(C)O)[C@H](C)CCOC	ZINC000160724113	538888145	/nfs/dbraw/zinc/88/81/45/538888145.db2.gz	KROQMQBUFSNHCX-SNVBAGLBSA-N	1	1	203.326	1.504	20	70		BDIDMO
CCCC[C@@H](C(=O)OC)[N@H+]1CC[C@H](CO)C1	ZINC000160803683	361328761	/nfs/dbraw/zinc/32/87/61/361328761.db2.gz	UHXZWZQAONGDGV-QWRGUYRKSA-N	1	1	229.320	1.032	20	70		BDIDMO
CC[C@H](C)[N@H+](C)CCN[C@@H]1CCCOC1	ZINC000160131930	541496091	/nfs/dbraw/zinc/49/60/91/541496091.db2.gz	GQYJTEYDHHAQCO-NWDGAFQWSA-N	1	1	214.353	1.485	20	70		BDIDMO
CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCCOC1	ZINC000160131930	541496094	/nfs/dbraw/zinc/49/60/94/541496094.db2.gz	GQYJTEYDHHAQCO-NWDGAFQWSA-N	1	1	214.353	1.485	20	70		BDIDMO
COC[C@H](C)[N@@H+](C)Cc1cc(O)cc(F)c1	ZINC000159824230	384361131	/nfs/dbraw/zinc/36/11/31/384361131.db2.gz	AJEZNORDTJOTCD-VIFPVBQESA-N	1	1	227.279	1.998	20	70		BDIDMO
CCc1cc(=O)[nH]c(C[N@@H+](C)CC2CC2)n1	ZINC000160911431	384445281	/nfs/dbraw/zinc/44/52/81/384445281.db2.gz	JXQWARKNVXLRMT-UHFFFAOYSA-N	1	1	221.304	1.586	20	70		BDIDMO
CC[N@@H+](C)CCN[C@@H](C)c1cscn1	ZINC000161174459	384470264	/nfs/dbraw/zinc/47/02/64/384470264.db2.gz	LUSABZUPZCTUBQ-VIFPVBQESA-N	1	1	213.350	1.745	20	70		BDIDMO
CC(C)(C)NCC[NH2+]CC1CCOCC1	ZINC000161449928	385064603	/nfs/dbraw/zinc/06/46/03/385064603.db2.gz	VXAKXSMJDTWFPU-UHFFFAOYSA-N	1	1	214.353	1.391	20	70		BDIDMO
CC(C)(C)[NH2+]CCNCC1CCOCC1	ZINC000161449928	385064609	/nfs/dbraw/zinc/06/46/09/385064609.db2.gz	VXAKXSMJDTWFPU-UHFFFAOYSA-N	1	1	214.353	1.391	20	70		BDIDMO
C[N@H+]1CC[C@@H](CNC(=O)N2CCCCCC2)C1	ZINC000160378320	386177316	/nfs/dbraw/zinc/17/73/16/386177316.db2.gz	NHUASVHEHAHXRK-LBPRGKRZSA-N	1	1	239.363	1.524	20	70		BDIDMO
Cc1cnccc1C[NH2+]CCCN(C)C	ZINC000160610197	388077968	/nfs/dbraw/zinc/07/79/68/388077968.db2.gz	VADVPEAGQVLQRS-UHFFFAOYSA-N	1	1	207.321	1.431	20	70		BDIDMO
CC[C@@H](COC)NCC[N@H+](C)[C@@H](C)CC	ZINC000160143190	388047739	/nfs/dbraw/zinc/04/77/39/388047739.db2.gz	IWYNZADUGIKWQQ-RYUDHWBXSA-N	1	1	216.369	1.731	20	70		BDIDMO
CC[C@@H](COC)NCC[N@@H+](C)[C@@H](C)CC	ZINC000160143190	388047742	/nfs/dbraw/zinc/04/77/42/388047742.db2.gz	IWYNZADUGIKWQQ-RYUDHWBXSA-N	1	1	216.369	1.731	20	70		BDIDMO
[NH3+]C[C@H]1CCCN1C(=O)c1cccc2c[nH]nc21	ZINC000160276045	134804439	/nfs/dbraw/zinc/80/44/39/134804439.db2.gz	JJNREHGRWCBLSZ-SNVBAGLBSA-N	1	1	244.298	1.126	20	70		BDIDMO
C[C@@H]1C[C@H](N2CC[N@H+]3CCCC[C@@H]3C2)CCO1	ZINC000218584802	411918923	/nfs/dbraw/zinc/91/89/23/411918923.db2.gz	DNHNUBJNDZEYIU-MGPQQGTHSA-N	1	1	238.375	1.724	20	70		BDIDMO
C[C@@H]1C[C@H]([N@@H+]2CCN3CCCC[C@@H]3C2)CCO1	ZINC000218584802	411918926	/nfs/dbraw/zinc/91/89/26/411918926.db2.gz	DNHNUBJNDZEYIU-MGPQQGTHSA-N	1	1	238.375	1.724	20	70		BDIDMO
C[C@@H]1C[C@H]([N@H+]2CCN3CCCC[C@@H]3C2)CCO1	ZINC000218584802	411918928	/nfs/dbraw/zinc/91/89/28/411918928.db2.gz	DNHNUBJNDZEYIU-MGPQQGTHSA-N	1	1	238.375	1.724	20	70		BDIDMO
CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1	ZINC000216652946	173300084	/nfs/dbraw/zinc/30/00/84/173300084.db2.gz	UYPBZHJAYUBTLG-AWEZNQCLSA-N	1	1	232.327	1.645	20	70		BDIDMO
COCCOCC[NH2+][C@@H](C)c1cscn1	ZINC000161167673	174358294	/nfs/dbraw/zinc/35/82/94/174358294.db2.gz	BKHWZIJBYZLVDH-VIFPVBQESA-N	1	1	230.333	1.457	20	70		BDIDMO
Cc1ccccc1C[C@H](C)[NH2+]C[C@@H](C)N	ZINC000218299495	487647473	/nfs/dbraw/zinc/64/74/73/487647473.db2.gz	DWOWGYPWDJOTOI-NEPJUHHUSA-N	1	1	206.333	1.863	20	70		BDIDMO
C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cccs1	ZINC000159682510	323043679	/nfs/dbraw/zinc/04/36/79/323043679.db2.gz	PWLJFPYGEJIDGY-UWVGGRQHSA-N	1	1	238.356	1.834	20	70		BDIDMO
C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cccn1C	ZINC000159685817	323043845	/nfs/dbraw/zinc/04/38/45/323043845.db2.gz	KQESGSMYDOQCQW-WDEREUQCSA-N	1	1	235.331	1.111	20	70		BDIDMO
CCCC1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000160657594	323076386	/nfs/dbraw/zinc/07/63/86/323076386.db2.gz	LQMYLRFVKIDCCY-NSHDSACASA-N	1	1	224.348	1.777	20	70		BDIDMO
Cn1cnnc1C[N@H+]1CC[C@@H](c2ccccc2)C1	ZINC000160875286	323137764	/nfs/dbraw/zinc/13/77/64/323137764.db2.gz	MFVJRSSGIOXWPO-CYBMUJFWSA-N	1	1	242.326	1.805	20	70		BDIDMO
CCc1nc(CN(C)[C@H]2CCSC2)n[nH]1	ZINC000159547520	345442243	/nfs/dbraw/zinc/44/22/43/345442243.db2.gz	KTTPRXPGRBZAQV-QMMMGPOBSA-N	1	1	226.349	1.304	20	70		BDIDMO
CCOC(=O)CC[N@@H+](C)[C@@H](C)CCOC	ZINC000161423813	346194475	/nfs/dbraw/zinc/19/44/75/346194475.db2.gz	GVYSKVRKKPZVQD-JTQLQIEISA-N	1	1	217.309	1.296	20	70		BDIDMO
CCOCCC[N@H+]1CCC[C@H](CCC(N)=O)C1	ZINC000160332771	347332046	/nfs/dbraw/zinc/33/20/46/347332046.db2.gz	OPWCNPPSOUIZRR-GFCCVEGCSA-N	1	1	242.363	1.391	20	70		BDIDMO
CC[N@H+](CCCO)[C@@H](C)C(=O)OC(C)(C)C	ZINC000160731412	349315072	/nfs/dbraw/zinc/31/50/72/349315072.db2.gz	HZXAELLWLFXECV-JTQLQIEISA-N	1	1	231.336	1.421	20	70		BDIDMO
CC[N@@H+](CCCO)[C@@H](C)C(=O)OC(C)(C)C	ZINC000160731412	349315075	/nfs/dbraw/zinc/31/50/75/349315075.db2.gz	HZXAELLWLFXECV-JTQLQIEISA-N	1	1	231.336	1.421	20	70		BDIDMO
C[N@H+](CCCN1CCCCC1)C[C@@H]1CCOC1	ZINC000161396952	349428346	/nfs/dbraw/zinc/42/83/46/349428346.db2.gz	PHCWBCUGVVGTKD-AWEZNQCLSA-N	1	1	240.391	1.831	20	70		BDIDMO
C[N@@H+](CCCN1CCCCC1)C[C@@H]1CCOC1	ZINC000161396952	349428351	/nfs/dbraw/zinc/42/83/51/349428351.db2.gz	PHCWBCUGVVGTKD-AWEZNQCLSA-N	1	1	240.391	1.831	20	70		BDIDMO
C[C@@H](O)C[N@@H+](C)CCC[NH+]1CCCCC1	ZINC000161241504	349414626	/nfs/dbraw/zinc/41/46/26/349414626.db2.gz	BBPSCNFKBMKOJI-GFCCVEGCSA-N	1	1	214.353	1.175	20	70		BDIDMO
C[C@@H](O)CN(C)CCC[NH+]1CCCCC1	ZINC000161241504	349414628	/nfs/dbraw/zinc/41/46/28/349414628.db2.gz	BBPSCNFKBMKOJI-GFCCVEGCSA-N	1	1	214.353	1.175	20	70		BDIDMO
CCOCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000161285092	538111610	/nfs/dbraw/zinc/11/16/10/538111610.db2.gz	CDIKBGMARBXAIW-UHFFFAOYSA-N	1	1	235.331	1.240	20	70		BDIDMO
C[C@@H]1C[C@H](C)C[N@H+](Cc2nncn2C)C1	ZINC000160674495	357167994	/nfs/dbraw/zinc/16/79/94/357167994.db2.gz	PMBYTIODFVEBOC-AOOOYVTPSA-N	1	1	208.309	1.293	20	70		BDIDMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C	ZINC000160457212	538884738	/nfs/dbraw/zinc/88/47/38/538884738.db2.gz	RTZLOGXMZAQKQO-JHJVBQTASA-N	1	1	238.375	1.879	20	70		BDIDMO
CC[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)C(N)=O	ZINC000159518822	361245683	/nfs/dbraw/zinc/24/56/83/361245683.db2.gz	HJFRLQRQTWDVGO-GMSGAONNSA-N	1	1	242.269	1.879	20	70		BDIDMO
CC[C@H]1CC[N@H+]([C@H](C(=O)OC)C2CC2)C1	ZINC000159601281	361265522	/nfs/dbraw/zinc/26/55/22/361265522.db2.gz	FXXJIEGKXUFHHE-ONGXEEELSA-N	1	1	211.305	1.670	20	70		BDIDMO
CCC[N@@H+](CC(=O)OC)C[C@@H]1CCC(C)(C)O1	ZINC000160824891	361329299	/nfs/dbraw/zinc/32/92/99/361329299.db2.gz	UTWQRQJCHYZZQD-NSHDSACASA-N	1	1	243.347	1.829	20	70		BDIDMO
CCC[N@H+](CC(=O)OC)C[C@@H]1CCC(C)(C)O1	ZINC000160824891	361329302	/nfs/dbraw/zinc/32/93/02/361329302.db2.gz	UTWQRQJCHYZZQD-NSHDSACASA-N	1	1	243.347	1.829	20	70		BDIDMO
C[N@H+]1CCN(C(=O)NC2CCCC2)CC1(C)C	ZINC000160572978	361335406	/nfs/dbraw/zinc/33/54/06/361335406.db2.gz	DUPAOOQLMDUAMP-UHFFFAOYSA-N	1	1	239.363	1.665	20	70		BDIDMO
CC(C)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1	ZINC000161404099	368144935	/nfs/dbraw/zinc/14/49/35/368144935.db2.gz	DACSXFIENSLDQS-NSHDSACASA-N	1	1	234.347	1.812	20	70		BDIDMO
CCOC(=O)CC[N@@H+](C)[C@H](C)CCOC	ZINC000161423950	368974336	/nfs/dbraw/zinc/97/43/36/368974336.db2.gz	GVYSKVRKKPZVQD-SNVBAGLBSA-N	1	1	217.309	1.296	20	70		BDIDMO
CC[N@@H+](CCOC)Cc1cc(O)cc(F)c1	ZINC000159829905	384363021	/nfs/dbraw/zinc/36/30/21/384363021.db2.gz	JQRDKYCOICPZNH-UHFFFAOYSA-N	1	1	227.279	2.000	20	70		BDIDMO
C[C@H](CCC(C)(C)C)NC(=O)[C@@H]1CSC[NH2+]1	ZINC000161228419	386610629	/nfs/dbraw/zinc/61/06/29/386610629.db2.gz	JKUXDANCJMRVTO-ZJUUUORDSA-N	1	1	244.404	1.980	20	70		BDIDMO
C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@@H]1CCCO1	ZINC000159368922	388009041	/nfs/dbraw/zinc/00/90/41/388009041.db2.gz	KJEHMMCXFOGKFI-SRVKXCTJSA-N	1	1	213.321	1.401	20	70		BDIDMO
CC[C@H](CSC)[N@@H+](C)C[C@H](O)C(F)(F)F	ZINC000159670430	388025567	/nfs/dbraw/zinc/02/55/67/388025567.db2.gz	VPLYGTVPXKAKEY-SFYZADRCSA-N	1	1	245.310	1.983	20	70		BDIDMO
C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cscn1	ZINC000159373094	388011452	/nfs/dbraw/zinc/01/14/52/388011452.db2.gz	LSPKEDCGFLVZCU-MWLCHTKSSA-N	1	1	226.345	1.878	20	70		BDIDMO
CC(C)OCCC[N@@H+](C)C[C@H]1CCC[C@@H]1O	ZINC000159475722	388017074	/nfs/dbraw/zinc/01/70/74/388017074.db2.gz	YNKRLNMOJKCIRS-OLZOCXBDSA-N	1	1	229.364	1.894	20	70		BDIDMO
C[N@@H+](CCN1CCCCC1)C[C@H]1CCC[C@@H]1O	ZINC000159499024	388018362	/nfs/dbraw/zinc/01/83/62/388018362.db2.gz	PWQSVPHNUCECPM-KGLIPLIRSA-N	1	1	240.391	1.565	20	70		BDIDMO
CN(CC[NH+]1CCCCC1)C[C@H]1CCC[C@@H]1O	ZINC000159499024	388018365	/nfs/dbraw/zinc/01/83/65/388018365.db2.gz	PWQSVPHNUCECPM-KGLIPLIRSA-N	1	1	240.391	1.565	20	70		BDIDMO
CCOCCC[N@@H+](C)C[C@H]1CCCCO1	ZINC000159538267	388020768	/nfs/dbraw/zinc/02/07/68/388020768.db2.gz	DZSSVMAIKRBENM-GFCCVEGCSA-N	1	1	215.337	1.914	20	70		BDIDMO
CSCCN(C)C[C@H]1CCC[NH2+]C1	ZINC000160042478	388043898	/nfs/dbraw/zinc/04/38/98/388043898.db2.gz	RKUIUNXEHOAEFX-JTQLQIEISA-N	1	1	202.367	1.281	20	70		BDIDMO
CCOCCC[N@H+]1CCC[C@@H](n2cccn2)C1	ZINC000160254543	388054383	/nfs/dbraw/zinc/05/43/83/388054383.db2.gz	RQGMTVFGAXEDRY-CYBMUJFWSA-N	1	1	237.347	1.947	20	70		BDIDMO
C[C@@H](CO)[N@@H+](C)C[C@@H](O)c1ccccc1	ZINC000218147855	388576967	/nfs/dbraw/zinc/57/69/67/388576967.db2.gz	YPKGWHCOIOLMHP-CMPLNLGQSA-N	1	1	209.289	1.033	20	70		BDIDMO
CCC[C@@H](C)[N@H+]1CCO[C@@H](CC(=O)OC)C1	ZINC000218592188	388583812	/nfs/dbraw/zinc/58/38/12/388583812.db2.gz	RHKVNPCNYZZZGY-MNOVXSKESA-N	1	1	229.320	1.439	20	70		BDIDMO
Cn1ccc(C(=O)Cn2c[nH+]c3c2CCCC3)c1	ZINC000216881633	134159466	/nfs/dbraw/zinc/15/94/66/134159466.db2.gz	DAXORZAAEUSHBS-UHFFFAOYSA-N	1	1	243.310	1.983	20	70		BDIDMO
COCCCC[N@H+]1CC[C@H]([C@H](C)O)C1	ZINC000159450817	397946929	/nfs/dbraw/zinc/94/69/29/397946929.db2.gz	PAZVTEQNCIZHCO-QWRGUYRKSA-N	1	1	201.310	1.116	20	70		BDIDMO
CCc1ncnc(NCC[N@@H+](C)C2CC2)c1F	ZINC000217989170	172032394	/nfs/dbraw/zinc/03/23/94/172032394.db2.gz	QKVSGMGLSXQKIZ-UHFFFAOYSA-N	1	1	238.310	1.684	20	70		BDIDMO
C[C@@H]1C[N@@H+](Cc2cnc(N)s2)CCS1	ZINC000161282224	176308845	/nfs/dbraw/zinc/30/88/45/176308845.db2.gz	RLYJTKHAXLUECW-SSDOTTSWSA-N	1	1	229.374	1.663	20	70		BDIDMO
C[C@H]1C[N@@H+](Cc2cnc(N)s2)CCS1	ZINC000161282333	177270023	/nfs/dbraw/zinc/27/00/23/177270023.db2.gz	RLYJTKHAXLUECW-ZETCQYMHSA-N	1	1	229.374	1.663	20	70		BDIDMO
Cc1ccccc1C[C@@H](C)[NH2+]C[C@H](C)N	ZINC000218299565	487647105	/nfs/dbraw/zinc/64/71/05/487647105.db2.gz	DWOWGYPWDJOTOI-NWDGAFQWSA-N	1	1	206.333	1.863	20	70		BDIDMO
CC(C)OCCSCC[NH+]1CCOCC1	ZINC000159886370	323052050	/nfs/dbraw/zinc/05/20/50/323052050.db2.gz	OGXRDUUZQSFZKS-UHFFFAOYSA-N	1	1	233.377	1.477	20	70		BDIDMO
CCOc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1	ZINC000160306156	323064740	/nfs/dbraw/zinc/06/47/40/323064740.db2.gz	IHCJGHFTAAMXHK-ZDUSSCGKSA-N	1	1	248.326	1.535	20	70		BDIDMO
CCOc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1	ZINC000160306156	323064741	/nfs/dbraw/zinc/06/47/41/323064741.db2.gz	IHCJGHFTAAMXHK-ZDUSSCGKSA-N	1	1	248.326	1.535	20	70		BDIDMO
CC[N@@H+](CC(=O)NC(C)C)CC(C)(C)C	ZINC000160411599	323065848	/nfs/dbraw/zinc/06/58/48/323065848.db2.gz	OCBHMAHIKBRGIU-UHFFFAOYSA-N	1	1	214.353	1.879	20	70		BDIDMO
Cn1cnnc1C[N@H+]1CCC[C@@H]1C1CCCC1	ZINC000160830264	323136751	/nfs/dbraw/zinc/13/67/51/323136751.db2.gz	AVSJXZISWDAZOM-GFCCVEGCSA-N	1	1	234.347	1.970	20	70		BDIDMO
CC[C@H]1CCC[N@@H+](CCCCS(C)(=O)=O)C1	ZINC000161431879	538915588	/nfs/dbraw/zinc/91/55/88/538915588.db2.gz	UJNWUHTZCYODLH-LBPRGKRZSA-N	1	1	247.404	1.933	20	70		BDIDMO
C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC2(C)C)C1	ZINC000160104723	323060902	/nfs/dbraw/zinc/06/09/02/323060902.db2.gz	VICGJYREMYFDEE-ZJUUUORDSA-N	1	1	210.321	1.100	20	70		BDIDMO
CCc1nnc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)[nH]1	ZINC000160194665	323062962	/nfs/dbraw/zinc/06/29/62/323062962.db2.gz	MYOABVXXWRHDPR-NXEZZACHSA-N	1	1	222.336	1.845	20	70		BDIDMO
CCc1nnc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)[nH]1	ZINC000160194665	323062963	/nfs/dbraw/zinc/06/29/63/323062963.db2.gz	MYOABVXXWRHDPR-NXEZZACHSA-N	1	1	222.336	1.845	20	70		BDIDMO
CC[N@H+]1CCCN(C(=O)NCCC(C)C)CC1	ZINC000159508825	345439266	/nfs/dbraw/zinc/43/92/66/345439266.db2.gz	FDYYRIQNDJUOES-UHFFFAOYSA-N	1	1	241.379	1.770	20	70		BDIDMO
CCC[N@H+]1CCCN(C(=O)CC(C)C)CC1	ZINC000160384625	347875389	/nfs/dbraw/zinc/87/53/89/347875389.db2.gz	MRPXOAJHWYULIV-UHFFFAOYSA-N	1	1	226.364	1.977	20	70		BDIDMO
CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC1CCCC1	ZINC000160666400	349286447	/nfs/dbraw/zinc/28/64/47/349286447.db2.gz	GNKYXYHPLOTLHS-LBPRGKRZSA-N	1	1	239.363	1.665	20	70		BDIDMO
C[C@H]1CCC[C@@H](CO)[N@H+]1CCC(C)(C)O	ZINC000161242287	349414839	/nfs/dbraw/zinc/41/48/39/349414839.db2.gz	GCNMWOYLQXCPNM-QWRGUYRKSA-N	1	1	215.337	1.383	20	70		BDIDMO
COCC[N@H+](C)CCC[NH+]1CCCCC1	ZINC000161294002	349417347	/nfs/dbraw/zinc/41/73/47/349417347.db2.gz	CEQJGVNTAPJOIM-UHFFFAOYSA-N	1	1	214.353	1.441	20	70		BDIDMO
C[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1	ZINC000161309206	349419394	/nfs/dbraw/zinc/41/93/94/349419394.db2.gz	QVYPOHXYNLHBPN-AGIUHOORSA-N	1	1	238.375	1.881	20	70		BDIDMO
CCN(C)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1	ZINC000160865098	350867433	/nfs/dbraw/zinc/86/74/33/350867433.db2.gz	WSZLATDUEVKZOB-LLVKDONJSA-N	1	1	239.363	1.665	20	70		BDIDMO
CC[C@@](C)(O)C[N@H+]1CCC[C@H](N2CCCC2)C1	ZINC000160602639	361321185	/nfs/dbraw/zinc/32/11/85/361321185.db2.gz	IPJYNGBFBBXXKS-UONOGXRCSA-N	1	1	240.391	1.708	20	70		BDIDMO
CC[C@@](C)(O)CN1CCC[C@H]([NH+]2CCCC2)C1	ZINC000160602639	361321192	/nfs/dbraw/zinc/32/11/92/361321192.db2.gz	IPJYNGBFBBXXKS-UONOGXRCSA-N	1	1	240.391	1.708	20	70		BDIDMO
[NH3+]CC(F)(F)CNC(=O)c1ccccc1	ZINC000160015014	181358370	/nfs/dbraw/zinc/35/83/70/181358370.db2.gz	NNIAIGIGGIJBHQ-UHFFFAOYSA-N	1	1	214.215	1.010	20	70		BDIDMO
CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@H](C)C2)n1	ZINC000160471573	384414345	/nfs/dbraw/zinc/41/43/45/384414345.db2.gz	TYTWHOWSCBFWBS-SNVBAGLBSA-N	1	1	235.331	1.977	20	70		BDIDMO
C[N@@H+](CCOCC1CC1)C[C@H]1CCCO1	ZINC000160271948	384702605	/nfs/dbraw/zinc/70/26/05/384702605.db2.gz	XTNGBZIMMFERGT-GFCCVEGCSA-N	1	1	213.321	1.524	20	70		BDIDMO
C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cscn1	ZINC000159372803	388011536	/nfs/dbraw/zinc/01/15/36/388011536.db2.gz	LSPKEDCGFLVZCU-KOLCDFICSA-N	1	1	226.345	1.878	20	70		BDIDMO
Cn1cncc1C[N@@H+](C)C[C@H]1CCC[C@@H]1O	ZINC000159479291	388016926	/nfs/dbraw/zinc/01/69/26/388016926.db2.gz	KCPBPEUQHOTOTG-PWSUYJOCSA-N	1	1	223.320	1.013	20	70		BDIDMO
CC[C@H]([NH2+][C@H](C)c1cccc(F)c1F)C(N)=O	ZINC000159518742	388019581	/nfs/dbraw/zinc/01/95/81/388019581.db2.gz	HJFRLQRQTWDVGO-XCBNKYQSSA-N	1	1	242.269	1.879	20	70		BDIDMO
Cn1cnnc1C[N@H+](C)CC1CCCC1	ZINC000160873429	388097149	/nfs/dbraw/zinc/09/71/49/388097149.db2.gz	QEBHPSSTYBJBFX-UHFFFAOYSA-N	1	1	208.309	1.437	20	70		BDIDMO
Cn1cnnc1C[N@@H+](C)CC1CCCC1	ZINC000160873429	388097151	/nfs/dbraw/zinc/09/71/51/388097151.db2.gz	QEBHPSSTYBJBFX-UHFFFAOYSA-N	1	1	208.309	1.437	20	70		BDIDMO
CC[C@@](C)(O)C[N@H+]1CCC[C@H](OC)C1	ZINC000160883982	388097494	/nfs/dbraw/zinc/09/74/94/388097494.db2.gz	IAUMNLSYFKNSCH-WDEREUQCSA-N	1	1	201.310	1.258	20	70		BDIDMO
Cc1cc[nH+]c(N2CCC[C@@](C)(O)C2)c1	ZINC000160840592	132231938	/nfs/dbraw/zinc/23/19/38/132231938.db2.gz	SRZRJPHJBKIMFQ-GFCCVEGCSA-N	1	1	206.289	1.741	20	70		BDIDMO
CCNC(=O)C[N@H+](CC)CCc1nccs1	ZINC000159400550	170056590	/nfs/dbraw/zinc/05/65/90/170056590.db2.gz	INWUCJQMVOVMAV-UHFFFAOYSA-N	1	1	241.360	1.144	20	70		BDIDMO
CCNC(=O)C[N@@H+](CC)CCc1nccs1	ZINC000159400550	170056591	/nfs/dbraw/zinc/05/65/91/170056591.db2.gz	INWUCJQMVOVMAV-UHFFFAOYSA-N	1	1	241.360	1.144	20	70		BDIDMO
CCNC(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21	ZINC000160551892	170061010	/nfs/dbraw/zinc/06/10/10/170061010.db2.gz	VAQVRTDECIZQCG-QWRGUYRKSA-N	1	1	210.321	1.387	20	70		BDIDMO
CCOCC[N@@H+](C)Cc1cc(O)cc(F)c1	ZINC000159848379	170390756	/nfs/dbraw/zinc/39/07/56/170390756.db2.gz	QPSVXUIHARODAM-UHFFFAOYSA-N	1	1	227.279	2.000	20	70		BDIDMO
CNC(=O)C(C)(C)CNc1cc(C)[nH+]c(C)n1	ZINC000161075187	173219796	/nfs/dbraw/zinc/21/97/96/173219796.db2.gz	DVQHKPOGMDQHHS-UHFFFAOYSA-N	1	1	236.319	1.278	20	70		BDIDMO
C[C@@H]1C[C@@H](C)[N@@H+](Cc2cnc(N)s2)C1	ZINC000161298587	176364201	/nfs/dbraw/zinc/36/42/01/176364201.db2.gz	KUBIDTKLKSNXQK-HTQZYQBOSA-N	1	1	211.334	1.956	20	70		BDIDMO
Cc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)o1	ZINC000159557420	323036685	/nfs/dbraw/zinc/03/66/85/323036685.db2.gz	VTXLVGPMOXPDKT-ONGXEEELSA-N	1	1	236.315	1.674	20	70		BDIDMO
CCCn1c(C)nnc1C[N@H+](C)C1CCC1	ZINC000159684643	323043776	/nfs/dbraw/zinc/04/37/76/323043776.db2.gz	BKBOQWHBZKVRJS-UHFFFAOYSA-N	1	1	222.336	1.981	20	70		BDIDMO
CCCn1c(C)nnc1C[N@@H+](C)C1CCC1	ZINC000159684643	323043777	/nfs/dbraw/zinc/04/37/77/323043777.db2.gz	BKBOQWHBZKVRJS-UHFFFAOYSA-N	1	1	222.336	1.981	20	70		BDIDMO
COc1cccc(C[N@H+](C)CCO)c1F	ZINC000160510261	488141222	/nfs/dbraw/zinc/14/12/22/488141222.db2.gz	MBBBCRMTTIFUQK-UHFFFAOYSA-N	1	1	213.252	1.258	20	70		BDIDMO
COc1cccc(C[N@@H+](C)CCO)c1F	ZINC000160510261	488141226	/nfs/dbraw/zinc/14/12/26/488141226.db2.gz	MBBBCRMTTIFUQK-UHFFFAOYSA-N	1	1	213.252	1.258	20	70		BDIDMO
Cc1cc(CN(C)CC[C@@H]2CCC[N@H+]2C)no1	ZINC000161383431	349438533	/nfs/dbraw/zinc/43/85/33/349438533.db2.gz	GDHYMCSTNFOSLJ-ZDUSSCGKSA-N	1	1	237.347	1.899	20	70		BDIDMO
C[C@@H]1CCCC[N@H+]1CCCCS(C)(=O)=O	ZINC000161096384	538914161	/nfs/dbraw/zinc/91/41/61/538914161.db2.gz	BZRNXDUUDJZARM-LLVKDONJSA-N	1	1	233.377	1.686	20	70		BDIDMO
CC[N@H+]1CCC[C@H]1CNC(=O)C1(C)CC1	ZINC000159573373	323038298	/nfs/dbraw/zinc/03/82/98/323038298.db2.gz	VAGATSMPSCAHRB-JTQLQIEISA-N	1	1	210.321	1.387	20	70		BDIDMO
CCc1nnc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)[nH]1	ZINC000159481713	345436915	/nfs/dbraw/zinc/43/69/15/345436915.db2.gz	NYSVRZQWRIDSPZ-ZJUUUORDSA-N	1	1	238.335	1.102	20	70		BDIDMO
CCc1nnc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)[nH]1	ZINC000159481713	345436916	/nfs/dbraw/zinc/43/69/16/345436916.db2.gz	NYSVRZQWRIDSPZ-ZJUUUORDSA-N	1	1	238.335	1.102	20	70		BDIDMO
CC[C@H]1CCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1	ZINC000159663428	345462715	/nfs/dbraw/zinc/46/27/15/345462715.db2.gz	LXGQKESIQVKZLN-TUAOUCFPSA-N	1	1	240.347	1.012	20	70		BDIDMO
CC[C@H]1CCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000159663428	345462720	/nfs/dbraw/zinc/46/27/20/345462720.db2.gz	LXGQKESIQVKZLN-TUAOUCFPSA-N	1	1	240.347	1.012	20	70		BDIDMO
CC1CCC([N@H+](C)Cc2nncn2C)CC1	ZINC000160704552	357183646	/nfs/dbraw/zinc/18/36/46/357183646.db2.gz	ODQXXJGIEWZQPU-UHFFFAOYSA-N	1	1	222.336	1.826	20	70		BDIDMO
CC1CCC([N@@H+](C)Cc2nncn2C)CC1	ZINC000160704552	357183650	/nfs/dbraw/zinc/18/36/50/357183650.db2.gz	ODQXXJGIEWZQPU-UHFFFAOYSA-N	1	1	222.336	1.826	20	70		BDIDMO
CN(C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)C1CC1	ZINC000160730184	357658777	/nfs/dbraw/zinc/65/87/77/357658777.db2.gz	UQPBUXGDSKBESK-NSHDSACASA-N	1	1	237.347	1.275	20	70		BDIDMO
C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000159368338	384326690	/nfs/dbraw/zinc/32/66/90/384326690.db2.gz	UWWKNYNXBYYUTH-DGCLKSJQSA-N	1	1	248.326	1.105	20	70		BDIDMO
CCOCCC[N@H+]1CCC[C@H](OC)C1	ZINC000160441012	384412108	/nfs/dbraw/zinc/41/21/08/384412108.db2.gz	OXZFACZDVVIILY-NSHDSACASA-N	1	1	201.310	1.524	20	70		BDIDMO
C(C[N@H+]1CCCSCC1)OCC1CC1	ZINC000161484386	384495202	/nfs/dbraw/zinc/49/52/02/384495202.db2.gz	MXUHWSHKQPASCK-UHFFFAOYSA-N	1	1	215.362	1.852	20	70		BDIDMO
CCSCC[N@@H+](C)[C@H]1CCCCNC1=O	ZINC000160296100	384660388	/nfs/dbraw/zinc/66/03/88/384660388.db2.gz	VMSUNYWMYCUMMN-JTQLQIEISA-N	1	1	230.377	1.340	20	70		BDIDMO
CNC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1	ZINC000160297884	384677107	/nfs/dbraw/zinc/67/71/07/384677107.db2.gz	YXOFAYVGBRGTED-GFCCVEGCSA-N	1	1	233.315	1.273	20	70		BDIDMO
CNC(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)n1	ZINC000160297884	384677110	/nfs/dbraw/zinc/67/71/10/384677110.db2.gz	YXOFAYVGBRGTED-GFCCVEGCSA-N	1	1	233.315	1.273	20	70		BDIDMO
C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1cscn1	ZINC000161228410	387156703	/nfs/dbraw/zinc/15/67/03/387156703.db2.gz	QXAZRQIXNAEPJU-NKWVEPMBSA-N	1	1	213.306	1.058	20	70		BDIDMO
CCOCCC[N@H+]1C[C@@H](C)OC(C)(C)C1	ZINC000159667679	388025751	/nfs/dbraw/zinc/02/57/51/388025751.db2.gz	XMUUVLUCOMVWCV-LLVKDONJSA-N	1	1	215.337	1.912	20	70		BDIDMO
CC[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(N)=O	ZINC000159518463	388019450	/nfs/dbraw/zinc/01/94/50/388019450.db2.gz	HJFRLQRQTWDVGO-XVKPBYJWSA-N	1	1	242.269	1.879	20	70		BDIDMO
c1cn(CC[N@@H+](C[C@@H]2CCOC2)C2CC2)cn1	ZINC000159744839	388030011	/nfs/dbraw/zinc/03/00/11/388030011.db2.gz	DMCBJOWANWHHIQ-LBPRGKRZSA-N	1	1	235.331	1.384	20	70		BDIDMO
CCc1cc(=O)[nH]c(C[NH+]2CCCC2)n1	ZINC000160467779	388069414	/nfs/dbraw/zinc/06/94/14/388069414.db2.gz	WZKFSFUEAMDMII-UHFFFAOYSA-N	1	1	207.277	1.340	20	70		BDIDMO
O=C([C@H]1CSC[NH2+]1)N1CCC2(CCC2)C1	ZINC000160619883	388078846	/nfs/dbraw/zinc/07/88/46/388078846.db2.gz	KIPLQNBJWWFTIW-SECBINFHSA-N	1	1	226.345	1.052	20	70		BDIDMO
CC[C@](C)(O)C[N@H+]1CCC[C@H](OC)C1	ZINC000160883841	388097570	/nfs/dbraw/zinc/09/75/70/388097570.db2.gz	IAUMNLSYFKNSCH-QWRGUYRKSA-N	1	1	201.310	1.258	20	70		BDIDMO
Cc1cc[nH+]c(N2CCC[C@](C)(O)C2)c1	ZINC000160840702	132231740	/nfs/dbraw/zinc/23/17/40/132231740.db2.gz	SRZRJPHJBKIMFQ-LBPRGKRZSA-N	1	1	206.289	1.741	20	70		BDIDMO
CCc1ccccc1C(=O)N1CC[NH+](C)CC1	ZINC000160073334	397766879	/nfs/dbraw/zinc/76/68/79/397766879.db2.gz	UNHNSNFKJJOAJM-UHFFFAOYSA-N	1	1	232.327	1.637	20	70		BDIDMO
CC(C)OCCC[N@H+]1CCCC[C@@H]1CO	ZINC000159731028	411307699	/nfs/dbraw/zinc/30/76/99/411307699.db2.gz	IHCCZWQLIYTDMA-GFCCVEGCSA-N	1	1	215.337	1.648	20	70		BDIDMO
C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccco1	ZINC000159639344	323041175	/nfs/dbraw/zinc/04/11/75/323041175.db2.gz	MLGFXTHVNWRCEC-UWVGGRQHSA-N	1	1	222.288	1.365	20	70		BDIDMO
C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cccs1	ZINC000159682650	323043646	/nfs/dbraw/zinc/04/36/46/323043646.db2.gz	PWLJFPYGEJIDGY-NXEZZACHSA-N	1	1	238.356	1.834	20	70		BDIDMO
CS[C@H](C)CNC(=O)NC[C@@H]1CCC[N@H+]1C	ZINC000159719995	323044540	/nfs/dbraw/zinc/04/45/40/323044540.db2.gz	OYKUUOKZUQOIAR-ZJUUUORDSA-N	1	1	245.392	1.131	20	70		BDIDMO
CSCCCSCC[NH+]1CCOCC1	ZINC000159883465	323052027	/nfs/dbraw/zinc/05/20/27/323052027.db2.gz	ZRUFDVFOHFGFCH-UHFFFAOYSA-N	1	1	235.418	1.805	20	70		BDIDMO
CCC[N@@H+](CC)CCNC(=O)CO[C@H](C)CC	ZINC000159912089	323053752	/nfs/dbraw/zinc/05/37/52/323053752.db2.gz	QKRICZYARBPCJO-GFCCVEGCSA-N	1	1	244.379	1.650	20	70		BDIDMO
C(C[N@H+]1CCCSCC1)OC[C@@H]1CCCO1	ZINC000161481799	323076035	/nfs/dbraw/zinc/07/60/35/323076035.db2.gz	JSWHHZIQUBPVKH-LBPRGKRZSA-N	1	1	245.388	1.621	20	70		BDIDMO
CC(C)[NH+]1CCN(C(=O)[C@@H]2CCCCO2)CC1	ZINC000161182118	323150950	/nfs/dbraw/zinc/15/09/50/323150950.db2.gz	VDNGODWZZYEBGB-LBPRGKRZSA-N	1	1	240.347	1.108	20	70		BDIDMO
C[C@@H](CNc1cc(F)ncn1)[N@@H+](C)C1CC1	ZINC000218696896	592173271	/nfs/dbraw/zinc/17/32/71/592173271.db2.gz	OIFXTXVPMPSHFS-QMMMGPOBSA-N	1	1	224.283	1.510	20	70		BDIDMO
C[C@H](O)CC[N@@H+](C)CCC[NH+]1CCCCC1	ZINC000161378342	349436296	/nfs/dbraw/zinc/43/62/96/349436296.db2.gz	ZXEIRNWCRVTDGG-ZDUSSCGKSA-N	1	1	228.380	1.565	20	70		BDIDMO
C[C@H](O)CCN(C)CCC[NH+]1CCCCC1	ZINC000161378342	349436299	/nfs/dbraw/zinc/43/62/99/349436299.db2.gz	ZXEIRNWCRVTDGG-ZDUSSCGKSA-N	1	1	228.380	1.565	20	70		BDIDMO
C[C@@H](N[C@H]1CCC[N@@H+](C)C1)c1cscn1	ZINC000161162303	538914447	/nfs/dbraw/zinc/91/44/47/538914447.db2.gz	IXVQPHXMVBPYLN-ZJUUUORDSA-N	1	1	225.361	1.888	20	70		BDIDMO
C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1cscn1	ZINC000161162303	538914449	/nfs/dbraw/zinc/91/44/49/538914449.db2.gz	IXVQPHXMVBPYLN-ZJUUUORDSA-N	1	1	225.361	1.888	20	70		BDIDMO
O=C1CCCN1CC[N@H+]1CCCSCC1	ZINC000161479823	349454565	/nfs/dbraw/zinc/45/45/65/349454565.db2.gz	KDPBVGFPRYRBNU-UHFFFAOYSA-N	1	1	228.361	1.048	20	70		BDIDMO
C[N@@H+](CCOCC1CC1)C[C@@H]1CCCO1	ZINC000160271788	398344012	/nfs/dbraw/zinc/34/40/12/398344012.db2.gz	XTNGBZIMMFERGT-LBPRGKRZSA-N	1	1	213.321	1.524	20	70		BDIDMO
COC[C@H](C)SCC[NH+]1CCOCC1	ZINC000160034984	323075333	/nfs/dbraw/zinc/07/53/33/323075333.db2.gz	GCGQUCBDONTGEN-JTQLQIEISA-N	1	1	219.350	1.087	20	70		BDIDMO
CCc1nnc(C[N@H+](C)CCC2CC2)[nH]1	ZINC000159426198	345433604	/nfs/dbraw/zinc/43/36/04/345433604.db2.gz	BTOQTFIRLGKNJS-UHFFFAOYSA-N	1	1	208.309	1.599	20	70		BDIDMO
CCc1nnc(C[N@@H+](C)CCC2CC2)[nH]1	ZINC000159426198	345433607	/nfs/dbraw/zinc/43/36/07/345433607.db2.gz	BTOQTFIRLGKNJS-UHFFFAOYSA-N	1	1	208.309	1.599	20	70		BDIDMO
CCOCCC[N@H+]1CCOCC1(C)C	ZINC000159521913	345439697	/nfs/dbraw/zinc/43/96/97/345439697.db2.gz	QZWDUHVAXFQHSW-UHFFFAOYSA-N	1	1	201.310	1.524	20	70		BDIDMO
CCN(CC)[C@H](C)C[NH2+]Cc1ccnn1CC	ZINC000159943532	345702997	/nfs/dbraw/zinc/70/29/97/345702997.db2.gz	FJCBINYPZMMEDN-GFCCVEGCSA-N	1	1	238.379	1.723	20	70		BDIDMO
CCC[C@H](C(=O)OCC)[N@H+](C)C[C@H](O)C1CC1	ZINC000160817216	346466104	/nfs/dbraw/zinc/46/61/04/346466104.db2.gz	DEHWDQIPWBGFSQ-NEPJUHHUSA-N	1	1	243.347	1.421	20	70		BDIDMO
CCC[C@H](C(=O)OCC)[N@@H+](C)C[C@H](O)C1CC1	ZINC000160817216	346466107	/nfs/dbraw/zinc/46/61/07/346466107.db2.gz	DEHWDQIPWBGFSQ-NEPJUHHUSA-N	1	1	243.347	1.421	20	70		BDIDMO
CC[N@@H+](C)CCNC(=O)[C@H](C)c1ccsc1	ZINC000160150153	353314817	/nfs/dbraw/zinc/31/48/17/353314817.db2.gz	MENIMOAAOODTEU-SNVBAGLBSA-N	1	1	240.372	1.920	20	70		BDIDMO
C[C@@H]([NH2+]Cc1cc(Cl)ccc1F)C(N)=O	ZINC000159912902	538880442	/nfs/dbraw/zinc/88/04/42/538880442.db2.gz	XNWMMIMOMCPZBE-ZCFIWIBFSA-N	1	1	230.670	1.443	20	70		BDIDMO
CC(C)OCC[N@H+]1CC[C@@H]([C@@H](C)O)C1	ZINC000159471708	361238421	/nfs/dbraw/zinc/23/84/21/361238421.db2.gz	KSCLJCPXCPPRLV-GHMZBOCLSA-N	1	1	201.310	1.114	20	70		BDIDMO
CCCC[C@H](C(=O)OC)[N@H+]1CC[C@H](CO)C1	ZINC000160803812	361327807	/nfs/dbraw/zinc/32/78/07/361327807.db2.gz	UHXZWZQAONGDGV-WDEREUQCSA-N	1	1	229.320	1.032	20	70		BDIDMO
CCCC[C@@H](C(=O)OC)[N@H+](C)CCOC	ZINC000160797728	361327822	/nfs/dbraw/zinc/32/78/22/361327822.db2.gz	VJWMKRIPIATFIP-JTQLQIEISA-N	1	1	217.309	1.296	20	70		BDIDMO
CCCC[C@@H](C(=O)OC)[N@@H+](C)CCOC	ZINC000160797728	361327823	/nfs/dbraw/zinc/32/78/23/361327823.db2.gz	VJWMKRIPIATFIP-JTQLQIEISA-N	1	1	217.309	1.296	20	70		BDIDMO
CCC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1	ZINC000159384026	169204884	/nfs/dbraw/zinc/20/48/84/169204884.db2.gz	QNYQWSVRRKYBTJ-RYUDHWBXSA-N	1	1	239.315	1.814	20	70		BDIDMO
CCC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1	ZINC000159384026	169204886	/nfs/dbraw/zinc/20/48/86/169204886.db2.gz	QNYQWSVRRKYBTJ-RYUDHWBXSA-N	1	1	239.315	1.814	20	70		BDIDMO
CC[C@H]1COCC[N@H+]1C[C@@H](O)C(C)(C)C	ZINC000216935813	384678553	/nfs/dbraw/zinc/67/85/53/384678553.db2.gz	YUPKTBILHSPIRA-WDEREUQCSA-N	1	1	215.337	1.504	20	70		BDIDMO
COc1cccnc1NCC[N@@H+](C)C(C)C	ZINC000160231466	385422025	/nfs/dbraw/zinc/42/20/25/385422025.db2.gz	TZBBMTNQUZPUOL-UHFFFAOYSA-N	1	1	223.320	1.842	20	70		BDIDMO
CCCC[N@@H+](C)CCNC(=O)NC1(C)CCC1	ZINC000161201832	387149206	/nfs/dbraw/zinc/14/92/06/387149206.db2.gz	DYZMCXXVNVZIBO-UHFFFAOYSA-N	1	1	241.379	1.960	20	70		BDIDMO
C[C@@H]1C[N@@H+](CCOCC2CC2)CC(C)(C)O1	ZINC000159665115	388025843	/nfs/dbraw/zinc/02/58/43/388025843.db2.gz	HABHEFRSOVVEQJ-LLVKDONJSA-N	1	1	227.348	1.912	20	70		BDIDMO
CCSCC[N@H+]1CCOCC1(C)C	ZINC000159519914	388019867	/nfs/dbraw/zinc/01/98/67/388019867.db2.gz	KFZAOLOBFLFTQO-UHFFFAOYSA-N	1	1	203.351	1.850	20	70		BDIDMO
c1cnn([C@@H]2CCC[N@H+](CCOCC3CC3)C2)c1	ZINC000160250454	388055052	/nfs/dbraw/zinc/05/50/52/388055052.db2.gz	FMJROTMMODNWBG-CQSZACIVSA-N	1	1	249.358	1.947	20	70		BDIDMO
CCOCCC[N@H+]1CCC[C@@H](OC)C1	ZINC000160441150	388068007	/nfs/dbraw/zinc/06/80/07/388068007.db2.gz	OXZFACZDVVIILY-LLVKDONJSA-N	1	1	201.310	1.524	20	70		BDIDMO
CSCCN(C)C[C@]1(C)CC[NH2+]C1	ZINC000160063937	388044883	/nfs/dbraw/zinc/04/48/83/388044883.db2.gz	UFLMQBAVLDLKJQ-SNVBAGLBSA-N	1	1	202.367	1.281	20	70		BDIDMO
COc1cccc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)n1	ZINC000159442298	397946499	/nfs/dbraw/zinc/94/64/99/397946499.db2.gz	QVRXHUYZAQXFME-JQWIXIFHSA-N	1	1	236.315	1.293	20	70		BDIDMO
C[C@@H](N)C[NH2+][C@H](C)Cc1ccccc1F	ZINC000218300440	487647147	/nfs/dbraw/zinc/64/71/47/487647147.db2.gz	CGYUQCCQTUIIEZ-NXEZZACHSA-N	1	1	210.296	1.694	20	70		BDIDMO
C[C@@H]([NH3+])CN[C@H](C)Cc1ccccc1F	ZINC000218300440	487647150	/nfs/dbraw/zinc/64/71/50/487647150.db2.gz	CGYUQCCQTUIIEZ-NXEZZACHSA-N	1	1	210.296	1.694	20	70		BDIDMO
C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccco1	ZINC000159639625	323075211	/nfs/dbraw/zinc/07/52/11/323075211.db2.gz	MLGFXTHVNWRCEC-VHSXEESVSA-N	1	1	222.288	1.365	20	70		BDIDMO
C[C@H]1CCC[C@@H]([N@@H+](C)Cc2nncn2C)C1	ZINC000160776498	323134698	/nfs/dbraw/zinc/13/46/98/323134698.db2.gz	CUPNGMCIKXFNBR-WDEREUQCSA-N	1	1	222.336	1.826	20	70		BDIDMO
C[C@@H]1CCC[C@H]([N@@H+](C)Cc2nncn2C)C1	ZINC000160776137	323134714	/nfs/dbraw/zinc/13/47/14/323134714.db2.gz	CUPNGMCIKXFNBR-MNOVXSKESA-N	1	1	222.336	1.826	20	70		BDIDMO
Cn1cnnc1C[N@H+](C)CCc1ccc(F)cc1	ZINC000160838159	323136406	/nfs/dbraw/zinc/13/64/06/323136406.db2.gz	KAKYLTCRBWAVOQ-UHFFFAOYSA-N	1	1	248.305	1.629	20	70		BDIDMO
Cn1cnnc1C[N@@H+](C)CCc1ccc(F)cc1	ZINC000160838159	323136407	/nfs/dbraw/zinc/13/64/07/323136407.db2.gz	KAKYLTCRBWAVOQ-UHFFFAOYSA-N	1	1	248.305	1.629	20	70		BDIDMO
CCCCCC[C@H](O)C[N@@H+](C)CCO	ZINC000217365679	592106782	/nfs/dbraw/zinc/10/67/82/592106782.db2.gz	DRBUCBQXNGIIKB-NSHDSACASA-N	1	1	203.326	1.242	20	70		BDIDMO
CCC[N@@H+](CC)CCNc1cc(F)ncn1	ZINC000218738935	592175883	/nfs/dbraw/zinc/17/58/83/592175883.db2.gz	WSFLPEWQXJIENS-UHFFFAOYSA-N	1	1	226.299	1.760	20	70		BDIDMO
Cc1cc(CN(C)CC[C@H]2CCC[N@H+]2C)no1	ZINC000161383563	349438554	/nfs/dbraw/zinc/43/85/54/349438554.db2.gz	GDHYMCSTNFOSLJ-CYBMUJFWSA-N	1	1	237.347	1.899	20	70		BDIDMO
C[N@H+](CCCCS(C)(=O)=O)Cc1ccco1	ZINC000161193948	538914987	/nfs/dbraw/zinc/91/49/87/538914987.db2.gz	OAYHVPBAIPWOMP-UHFFFAOYSA-N	1	1	245.344	1.536	20	70		BDIDMO
C[N@@H+](CCCCS(C)(=O)=O)Cc1ccco1	ZINC000161193948	538914988	/nfs/dbraw/zinc/91/49/88/538914988.db2.gz	OAYHVPBAIPWOMP-UHFFFAOYSA-N	1	1	245.344	1.536	20	70		BDIDMO
CC[C@@H](NC1CC[NH+](C)CC1)c1cnn(C)c1	ZINC000161420458	349443592	/nfs/dbraw/zinc/44/35/92/349443592.db2.gz	SJNFQBZWHYJQQQ-CYBMUJFWSA-N	1	1	236.363	1.555	20	70		BDIDMO
CN(CCC[NH+]1CCCCC1)C[C@@H](O)C1CC1	ZINC000161465480	538915817	/nfs/dbraw/zinc/91/58/17/538915817.db2.gz	QARDEIISHNDYDO-CQSZACIVSA-N	1	1	240.391	1.565	20	70		BDIDMO
C[N@H+](CCCN1CCCCC1)C[C@@H](O)C1CC1	ZINC000161465480	538915818	/nfs/dbraw/zinc/91/58/18/538915818.db2.gz	QARDEIISHNDYDO-CQSZACIVSA-N	1	1	240.391	1.565	20	70		BDIDMO
C[N@@H+](CCCN1CCCCC1)C[C@@H](O)C1CC1	ZINC000161465480	538915819	/nfs/dbraw/zinc/91/58/19/538915819.db2.gz	QARDEIISHNDYDO-CQSZACIVSA-N	1	1	240.391	1.565	20	70		BDIDMO
COCCCCSCC[NH+]1CCOCC1	ZINC000159807037	323048992	/nfs/dbraw/zinc/04/89/92/323048992.db2.gz	VONXIPLEWLZPGD-UHFFFAOYSA-N	1	1	233.377	1.478	20	70		BDIDMO
CCC[N@@H+](CCOCC1CC1)CC(=O)N(C)C	ZINC000159497377	345438250	/nfs/dbraw/zinc/43/82/50/345438250.db2.gz	RYSGESNAOKTYFR-UHFFFAOYSA-N	1	1	242.363	1.213	20	70		BDIDMO
C[N@H+](Cc1cnc2ccccn12)C[C@H]1CCCO1	ZINC000159577989	345444563	/nfs/dbraw/zinc/44/45/63/345444563.db2.gz	PRYXEXPBLICVJD-CYBMUJFWSA-N	1	1	245.326	1.945	20	70		BDIDMO
Cc1cccc([C@@H]2CCC[N@H+]2CCCO)n1	ZINC000159781255	345529899	/nfs/dbraw/zinc/52/98/99/345529899.db2.gz	FJGYYPLEVMXUBK-ZDUSSCGKSA-N	1	1	220.316	1.909	20	70		BDIDMO
CCc1nnc(C[N@@H+](C)[C@H](CC)CSC)[nH]1	ZINC000160254897	345846153	/nfs/dbraw/zinc/84/61/53/345846153.db2.gz	FAZPZEQAGLOEDT-SECBINFHSA-N	1	1	242.392	1.941	20	70		BDIDMO
CCc1nnc(C[N@H+](C)[C@H](CC)CSC)[nH]1	ZINC000160254897	345846156	/nfs/dbraw/zinc/84/61/56/345846156.db2.gz	FAZPZEQAGLOEDT-SECBINFHSA-N	1	1	242.392	1.941	20	70		BDIDMO
Cc1ccccc1C[N@@H+](C)Cc1cnnn1C	ZINC000160517328	179270214	/nfs/dbraw/zinc/27/02/14/179270214.db2.gz	KQIMPMCGLCNUMZ-UHFFFAOYSA-N	1	1	230.315	1.756	20	70		BDIDMO
Cc1ccccc1C[N@H+](C)Cc1cnnn1C	ZINC000160517328	179270216	/nfs/dbraw/zinc/27/02/16/179270216.db2.gz	KQIMPMCGLCNUMZ-UHFFFAOYSA-N	1	1	230.315	1.756	20	70		BDIDMO
C[N@H+](CCCN1CCCCC1)C[C@H]1CCOC1	ZINC000161397076	349428448	/nfs/dbraw/zinc/42/84/48/349428448.db2.gz	PHCWBCUGVVGTKD-CQSZACIVSA-N	1	1	240.391	1.831	20	70		BDIDMO
C[N@@H+](CCCN1CCCCC1)C[C@H]1CCOC1	ZINC000161397076	349428452	/nfs/dbraw/zinc/42/84/52/349428452.db2.gz	PHCWBCUGVVGTKD-CQSZACIVSA-N	1	1	240.391	1.831	20	70		BDIDMO
Cc1[nH]ncc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2	ZINC000159568867	351674901	/nfs/dbraw/zinc/67/49/01/351674901.db2.gz	BEWCGMKGGCIJEE-AVGNSLFASA-N	1	1	247.342	1.765	20	70		BDIDMO
CCN(C)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000160712930	357287746	/nfs/dbraw/zinc/28/77/46/357287746.db2.gz	WVSBNCHDPLDCDQ-LLVKDONJSA-N	1	1	225.336	1.132	20	70		BDIDMO
CN(C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)C1CC1	ZINC000160730054	357637193	/nfs/dbraw/zinc/63/71/93/357637193.db2.gz	UQPBUXGDSKBESK-LLVKDONJSA-N	1	1	237.347	1.275	20	70		BDIDMO
CC(C)OCC[N@H+]1CC[C@H]([C@@H](C)O)C1	ZINC000159471570	361237973	/nfs/dbraw/zinc/23/79/73/361237973.db2.gz	KSCLJCPXCPPRLV-MNOVXSKESA-N	1	1	201.310	1.114	20	70		BDIDMO
C[C@@H](C[NH+](C)C)NCc1cncc(F)c1	ZINC000160129418	361300367	/nfs/dbraw/zinc/30/03/67/361300367.db2.gz	AKDGXHNWSBTRLZ-VIFPVBQESA-N	1	1	211.284	1.260	20	70		BDIDMO
C[N@@H+](Cc1ccon1)C[C@@H]1CCC[C@@H]1O	ZINC000159686775	384348350	/nfs/dbraw/zinc/34/83/50/384348350.db2.gz	XNPKIALWEKPFIC-ONGXEEELSA-N	1	1	210.277	1.267	20	70		BDIDMO
C[N@H+](Cc1ccon1)C[C@@H]1CCC[C@@H]1O	ZINC000159686775	384348352	/nfs/dbraw/zinc/34/83/52/384348352.db2.gz	XNPKIALWEKPFIC-ONGXEEELSA-N	1	1	210.277	1.267	20	70		BDIDMO
Cc1ccc(C[N@@H+](C)Cc2cnnn2C)cc1	ZINC000160634825	384426479	/nfs/dbraw/zinc/42/64/79/384426479.db2.gz	XZCOBJRXGVLLAF-UHFFFAOYSA-N	1	1	230.315	1.756	20	70		BDIDMO
Cc1ccc(C[N@H+](C)Cc2cnnn2C)cc1	ZINC000160634825	384426487	/nfs/dbraw/zinc/42/64/87/384426487.db2.gz	XZCOBJRXGVLLAF-UHFFFAOYSA-N	1	1	230.315	1.756	20	70		BDIDMO
c1cnn(CCn2c[nH+]c3c2CCCC3)c1	ZINC000160721264	384431884	/nfs/dbraw/zinc/43/18/84/384431884.db2.gz	JBCXJOJMLIGASS-UHFFFAOYSA-N	1	1	216.288	1.659	20	70		BDIDMO
CC[NH+]1CCN(C(=O)N2CCC(C)CC2)CC1	ZINC000160304453	384737836	/nfs/dbraw/zinc/73/78/36/384737836.db2.gz	RKFOWDNCTQBSSW-UHFFFAOYSA-N	1	1	239.363	1.476	20	70		BDIDMO
C[C@H]([NH2+]C[C@H](O)C(F)F)c1cscn1	ZINC000218266230	386258044	/nfs/dbraw/zinc/25/80/44/386258044.db2.gz	KIVSHCATINMKRB-FSPLSTOPSA-N	1	1	222.260	1.420	20	70		BDIDMO
CCC[N@@H+](CCO)Cc1cccc(OCC)n1	ZINC000161215261	387147639	/nfs/dbraw/zinc/14/76/39/387147639.db2.gz	BJTBGKQLNPSZNG-UHFFFAOYSA-N	1	1	238.331	1.685	20	70		BDIDMO
OC[C@H]1CCCC[N@H+]1C[C@@H](O)Cc1ccccc1	ZINC000159828496	388031627	/nfs/dbraw/zinc/03/16/27/388031627.db2.gz	YQXFSTJTDIVLBM-CABCVRRESA-N	1	1	249.354	1.437	20	70		BDIDMO
CCCC[C@H](C(=O)OC)[N@H+](C)C[C@H](O)C1CC1	ZINC000160847881	398117811	/nfs/dbraw/zinc/11/78/11/398117811.db2.gz	PAEBQQMGYQKAOG-NEPJUHHUSA-N	1	1	243.347	1.421	20	70		BDIDMO
CCCC[C@H](C(=O)OC)[N@@H+](C)C[C@H](O)C1CC1	ZINC000160847881	398117814	/nfs/dbraw/zinc/11/78/14/398117814.db2.gz	PAEBQQMGYQKAOG-NEPJUHHUSA-N	1	1	243.347	1.421	20	70		BDIDMO
CC[C@@H]1COCC[N@H+]1C[C@@H](O)C(C)(C)C	ZINC000216935795	171106283	/nfs/dbraw/zinc/10/62/83/171106283.db2.gz	YUPKTBILHSPIRA-GHMZBOCLSA-N	1	1	215.337	1.504	20	70		BDIDMO
C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccsc1	ZINC000159684806	323043876	/nfs/dbraw/zinc/04/38/76/323043876.db2.gz	BMSQTWWPSPBULW-GXSJLCMTSA-N	1	1	238.356	1.834	20	70		BDIDMO
C(C[NH+]1CCOCC1)SC[C@H]1CCCCO1	ZINC000159839542	323050445	/nfs/dbraw/zinc/05/04/45/323050445.db2.gz	RMRHVKXPJOIRGT-GFCCVEGCSA-N	1	1	245.388	1.621	20	70		BDIDMO
CNC(=O)CC[N@H+]1CCC[C@@H]1c1cccc(C)n1	ZINC000159870694	323051042	/nfs/dbraw/zinc/05/10/42/323051042.db2.gz	PMIPZCOZQNSCGN-CYBMUJFWSA-N	1	1	247.342	1.663	20	70		BDIDMO
CC1(C)CCC(C[N@@H+]2CCNC(=O)C2)CC1	ZINC000160498031	323069374	/nfs/dbraw/zinc/06/93/74/323069374.db2.gz	RSNGAXIPJVCZOB-UHFFFAOYSA-N	1	1	224.348	1.635	20	70		BDIDMO
CC1(C)CCC(C[N@H+]2CCNC(=O)C2)CC1	ZINC000160498031	323069375	/nfs/dbraw/zinc/06/93/75/323069375.db2.gz	RSNGAXIPJVCZOB-UHFFFAOYSA-N	1	1	224.348	1.635	20	70		BDIDMO
C[NH+]1CCN(C(=O)NCC2CCCCC2)CC1	ZINC000217593036	536405656	/nfs/dbraw/zinc/40/56/56/536405656.db2.gz	HPUOVUHTSVLYQW-UHFFFAOYSA-N	1	1	239.363	1.524	20	70		BDIDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCCCC1	ZINC000217401951	592107590	/nfs/dbraw/zinc/10/75/90/592107590.db2.gz	KCYLKNYOTTYFET-LBPRGKRZSA-N	1	1	241.379	1.912	20	70		BDIDMO
CC[C@@](C)(O)C[N@@H+]1CCO[C@H](c2ccco2)C1	ZINC000161500374	349466149	/nfs/dbraw/zinc/46/61/49/349466149.db2.gz	VWQFMIFXTVRPLP-QWHCGFSZSA-N	1	1	239.315	1.814	20	70		BDIDMO
CC[C@@](C)(O)C[N@H+]1CCO[C@H](c2ccco2)C1	ZINC000161500374	349466150	/nfs/dbraw/zinc/46/61/50/349466150.db2.gz	VWQFMIFXTVRPLP-QWHCGFSZSA-N	1	1	239.315	1.814	20	70		BDIDMO
CCC[C@@H](O)C[N@H+]1CCCO[C@@H](C)C1	ZINC000217595145	136278028	/nfs/dbraw/zinc/27/80/28/136278028.db2.gz	ILIOLQFNVGLTFH-WDEREUQCSA-N	1	1	201.310	1.258	20	70		BDIDMO
C[C@]1(O)CCC[N@@H+](CC2(O)CCCC2)C1	ZINC000161000501	343609921	/nfs/dbraw/zinc/60/99/21/343609921.db2.gz	FDNBWBSRKLHGSG-NSHDSACASA-N	1	1	213.321	1.138	20	70		BDIDMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C1CC1	ZINC000160568366	323072063	/nfs/dbraw/zinc/07/20/63/323072063.db2.gz	OCIPQBKFDYXMBS-GFCCVEGCSA-N	1	1	224.348	1.633	20	70		BDIDMO
CC(C)N(C(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O)C(C)C	ZINC000159392139	345429949	/nfs/dbraw/zinc/42/99/49/345429949.db2.gz	JBNBHKJVZJSDNU-NEPJUHHUSA-N	1	1	244.379	1.333	20	70		BDIDMO
CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC2(C)C)C1	ZINC000160125432	345801470	/nfs/dbraw/zinc/80/14/70/345801470.db2.gz	RCQZNSRXHJAVOL-MNOVXSKESA-N	1	1	224.348	1.491	20	70		BDIDMO
CCSCC[N@H+]1CC[C@@H](N2CCCC2)C1	ZINC000160336010	347392967	/nfs/dbraw/zinc/39/29/67/347392967.db2.gz	IDBUHIDLIZUEDF-GFCCVEGCSA-N	1	1	228.405	1.910	20	70		BDIDMO
CCSCCN1CC[C@@H]([NH+]2CCCC2)C1	ZINC000160336010	347392968	/nfs/dbraw/zinc/39/29/68/347392968.db2.gz	IDBUHIDLIZUEDF-GFCCVEGCSA-N	1	1	228.405	1.910	20	70		BDIDMO
CC[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1	ZINC000161247738	349414892	/nfs/dbraw/zinc/41/48/92/349414892.db2.gz	HHKXSEMRJLQFBR-ZDUSSCGKSA-N	1	1	225.380	1.108	20	70		BDIDMO
Cc1[nH+]ccn1CCCN(C)C(=O)NC1CC1	ZINC000160903546	180235944	/nfs/dbraw/zinc/23/59/44/180235944.db2.gz	OGZUPYDDGRJVTA-UHFFFAOYSA-N	1	1	236.319	1.385	20	70		BDIDMO
CCC[N@@H+](CCSCC)CC(=O)N(C)C	ZINC000159497860	350776973	/nfs/dbraw/zinc/77/69/73/350776973.db2.gz	KNMJNLQZQHEVSW-UHFFFAOYSA-N	1	1	232.393	1.540	20	70		BDIDMO
C[N@@H+]1CCC[C@@H]1CNCc1nccs1	ZINC000218140277	351036123	/nfs/dbraw/zinc/03/61/23/351036123.db2.gz	QYRQBODPMZTHFE-SECBINFHSA-N	1	1	211.334	1.327	20	70		BDIDMO
C[N@H+]1CCC[C@@H]1CNCc1nccs1	ZINC000218140277	351036125	/nfs/dbraw/zinc/03/61/25/351036125.db2.gz	QYRQBODPMZTHFE-SECBINFHSA-N	1	1	211.334	1.327	20	70		BDIDMO
CCSCC[N@H+]1CCC[C@@H](CCC(N)=O)C1	ZINC000160329139	355917338	/nfs/dbraw/zinc/91/73/38/355917338.db2.gz	XZUDINRPMABZDX-NSHDSACASA-N	1	1	244.404	1.717	20	70		BDIDMO
C[C@H]1C[N@@H+](C[C@@H](O)C(C)(C)C)CCCO1	ZINC000217601143	134249707	/nfs/dbraw/zinc/24/97/07/134249707.db2.gz	OEYJKBFYAOBGPM-WDEREUQCSA-N	1	1	215.337	1.504	20	70		BDIDMO
C[C@@H]([NH3+])[C@@H]1CCN(CCC(F)(F)F)C1	ZINC000159505241	361241205	/nfs/dbraw/zinc/24/12/05/361241205.db2.gz	JZMAPIHAFUACTD-HTQZYQBOSA-N	1	1	210.243	1.608	20	70		BDIDMO
CC(C)C[C@H]1CCN(C(=O)[C@@H]2CSC[NH2+]2)C1	ZINC000159609852	361266432	/nfs/dbraw/zinc/26/64/32/361266432.db2.gz	KILCMSUZEPJBHF-MNOVXSKESA-N	1	1	242.388	1.544	20	70		BDIDMO
CC[C@](C)(O)C[N@H+]1CCC[C@H](N2CCCC2)C1	ZINC000160602509	361320919	/nfs/dbraw/zinc/32/09/19/361320919.db2.gz	IPJYNGBFBBXXKS-KBPBESRZSA-N	1	1	240.391	1.708	20	70		BDIDMO
CC[C@](C)(O)CN1CCC[C@H]([NH+]2CCCC2)C1	ZINC000160602509	361320923	/nfs/dbraw/zinc/32/09/23/361320923.db2.gz	IPJYNGBFBBXXKS-KBPBESRZSA-N	1	1	240.391	1.708	20	70		BDIDMO
CCOC[C@H]1CC[N@@H+](C[C@@](C)(O)CC)C1	ZINC000161394033	205526395	/nfs/dbraw/zinc/52/63/95/205526395.db2.gz	HJRXPSBFUOQRCK-RYUDHWBXSA-N	1	1	215.337	1.506	20	70		BDIDMO
Cn1cnnc1C[N@H+](C)CCCc1ccccc1	ZINC000160791165	384437697	/nfs/dbraw/zinc/43/76/97/384437697.db2.gz	HOSHMAWKVZBLBZ-UHFFFAOYSA-N	1	1	244.342	1.880	20	70		BDIDMO
Cn1cnnc1C[N@@H+](C)CCCc1ccccc1	ZINC000160791165	384437700	/nfs/dbraw/zinc/43/77/00/384437700.db2.gz	HOSHMAWKVZBLBZ-UHFFFAOYSA-N	1	1	244.342	1.880	20	70		BDIDMO
CCNC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1	ZINC000159763646	384497061	/nfs/dbraw/zinc/49/70/61/384497061.db2.gz	XVVDRRYCWNXKEU-CYBMUJFWSA-N	1	1	247.342	1.663	20	70		BDIDMO
CCNC(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)n1	ZINC000159763646	384497064	/nfs/dbraw/zinc/49/70/64/384497064.db2.gz	XVVDRRYCWNXKEU-CYBMUJFWSA-N	1	1	247.342	1.663	20	70		BDIDMO
CCn1cc(C[N@@H+](CC)CCCO)cn1	ZINC000161299405	384963293	/nfs/dbraw/zinc/96/32/93/384963293.db2.gz	MTRAAYZVKFLQKN-UHFFFAOYSA-N	1	1	211.309	1.107	20	70		BDIDMO
Cn1cncc1C[N@@H+](C)C[C@@H]1CCC[C@@H]1O	ZINC000159479156	388016466	/nfs/dbraw/zinc/01/64/66/388016466.db2.gz	KCPBPEUQHOTOTG-JQWIXIFHSA-N	1	1	223.320	1.013	20	70		BDIDMO
C[N@@H+](CCN1CCCCC1)C[C@@H]1CCC[C@@H]1O	ZINC000159498885	388018442	/nfs/dbraw/zinc/01/84/42/388018442.db2.gz	PWQSVPHNUCECPM-KBPBESRZSA-N	1	1	240.391	1.565	20	70		BDIDMO
CN(CC[NH+]1CCCCC1)C[C@@H]1CCC[C@@H]1O	ZINC000159498885	388018447	/nfs/dbraw/zinc/01/84/47/388018447.db2.gz	PWQSVPHNUCECPM-KBPBESRZSA-N	1	1	240.391	1.565	20	70		BDIDMO
C[N@@H+](CCCCCO)C[C@H]1CCC[C@@H]1O	ZINC000159712531	388028143	/nfs/dbraw/zinc/02/81/43/388028143.db2.gz	WNHLYDLASHOEMH-NEPJUHHUSA-N	1	1	215.337	1.242	20	70		BDIDMO
OCC[NH2+]Cc1c(F)cccc1Br	ZINC000160260946	388054932	/nfs/dbraw/zinc/05/49/32/388054932.db2.gz	MBTBRZNWKCQCMM-UHFFFAOYSA-N	1	1	248.095	1.670	20	70		BDIDMO
COCC(C)(C)[NH2+]CCCN1CCCCC1	ZINC000160878211	388096279	/nfs/dbraw/zinc/09/62/79/388096279.db2.gz	DLEWVANEQFPVAU-UHFFFAOYSA-N	1	1	228.380	1.877	20	70		BDIDMO
CC1CCC(C[N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000160374897	168153188	/nfs/dbraw/zinc/15/31/88/168153188.db2.gz	MFBOJFSUGDXNPC-HTAVTVPLSA-N	1	1	224.348	1.762	20	70		BDIDMO
Cc1nc2ccccn2c1C[N@H+](C)[C@@H]1CCOC1	ZINC000160221819	323064282	/nfs/dbraw/zinc/06/42/82/323064282.db2.gz	JLNMZDRBOHKLCV-GFCCVEGCSA-N	1	1	245.326	1.863	20	70		BDIDMO
CCC(CC)CNC(=O)N1CC[NH+](CC)CC1	ZINC000160550007	323071071	/nfs/dbraw/zinc/07/10/71/323071071.db2.gz	NEDMZEZNMZRIEL-UHFFFAOYSA-N	1	1	241.379	1.770	20	70		BDIDMO
C[C@@H](CNC(=O)NC1(C)CCC1)[N@@H+](C)C1CC1	ZINC000160812912	323136367	/nfs/dbraw/zinc/13/63/67/323136367.db2.gz	AYVXLFVIAXKXOJ-JTQLQIEISA-N	1	1	239.363	1.711	20	70		BDIDMO
CC(C)S(=O)(=O)CCC[N@@H+](C)[C@@H](C)C1CC1	ZINC000161012179	323143191	/nfs/dbraw/zinc/14/31/91/323143191.db2.gz	QMUYXGTVMJRMFO-NSHDSACASA-N	1	1	247.404	1.930	20	70		BDIDMO
CC(C)S(=O)(=O)CCC[N@@H+](C)[C@H](C)C1CC1	ZINC000161012312	323143210	/nfs/dbraw/zinc/14/32/10/323143210.db2.gz	QMUYXGTVMJRMFO-LLVKDONJSA-N	1	1	247.404	1.930	20	70		BDIDMO
Cc1cc[nH+]c(N2CCN(C(=O)C3CC3)CC2)c1	ZINC000161119244	323147567	/nfs/dbraw/zinc/14/75/67/323147567.db2.gz	XOJKSYBCXIKJIA-UHFFFAOYSA-N	1	1	245.326	1.449	20	70		BDIDMO
CCSCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2	ZINC000218008588	535684611	/nfs/dbraw/zinc/68/46/11/535684611.db2.gz	SYDQDMQPOCJIPQ-AOOOYVTPSA-N	1	1	201.335	1.603	20	70		BDIDMO
CCCCCC[N@@H+](CCC)CC(N)=O	ZINC000218722823	582724721	/nfs/dbraw/zinc/72/47/21/582724721.db2.gz	ZFDHFIPRRYERPS-UHFFFAOYSA-N	1	1	200.326	1.764	20	70		BDIDMO
CCC(CC)NC(=O)N1CCC[N@@H+](CC)CC1	ZINC000159511645	345438993	/nfs/dbraw/zinc/43/89/93/345438993.db2.gz	WNXSFIGQIMPWLH-UHFFFAOYSA-N	1	1	241.379	1.912	20	70		BDIDMO
C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@H]1CC=CCC1	ZINC000159530239	345441496	/nfs/dbraw/zinc/44/14/96/345441496.db2.gz	WDVXBRDONMOOLJ-FRRDWIJNSA-N	1	1	236.359	1.929	20	70		BDIDMO
NC(=O)C[C@@H]1CCCC[N@H+]1CCOCC1CC1	ZINC000159855668	345570145	/nfs/dbraw/zinc/57/01/45/345570145.db2.gz	GXMVOYPZDQDMHW-LBPRGKRZSA-N	1	1	240.347	1.143	20	70		BDIDMO
CCc1nc(CN(C)CCc2ccccn2)n[nH]1	ZINC000159581024	346425340	/nfs/dbraw/zinc/42/53/40/346425340.db2.gz	BWVDCWAKZJIISJ-UHFFFAOYSA-N	1	1	245.330	1.437	20	70		BDIDMO
CCC[C@@H](C(=O)OCC)[N@H+](C)C[C@H](O)C1CC1	ZINC000160817073	346465286	/nfs/dbraw/zinc/46/52/86/346465286.db2.gz	DEHWDQIPWBGFSQ-RYUDHWBXSA-N	1	1	243.347	1.421	20	70		BDIDMO
CCC[C@@H](C(=O)OCC)[N@@H+](C)C[C@H](O)C1CC1	ZINC000160817073	346465289	/nfs/dbraw/zinc/46/52/89/346465289.db2.gz	DEHWDQIPWBGFSQ-RYUDHWBXSA-N	1	1	243.347	1.421	20	70		BDIDMO
CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)NC1CC1	ZINC000161125757	346476155	/nfs/dbraw/zinc/47/61/55/346476155.db2.gz	PPXFGARBLBVBAK-LLVKDONJSA-N	1	1	247.342	1.571	20	70		BDIDMO
CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)NC1CC1	ZINC000161125757	346476157	/nfs/dbraw/zinc/47/61/57/346476157.db2.gz	PPXFGARBLBVBAK-LLVKDONJSA-N	1	1	247.342	1.571	20	70		BDIDMO
CCC[N@H+]1CCCN(C(=O)C2CCC2)CC1	ZINC000160383421	347872145	/nfs/dbraw/zinc/87/21/45/347872145.db2.gz	FKYZBYIQFGLWKS-UHFFFAOYSA-N	1	1	224.348	1.731	20	70		BDIDMO
CC[C@]1(C)CCCN(C(=O)[C@H]2CSC[NH2+]2)C1	ZINC000160775619	349322318	/nfs/dbraw/zinc/32/23/18/349322318.db2.gz	SZHYYWMDDLPJAS-ZYHUDNBSSA-N	1	1	242.388	1.688	20	70		BDIDMO
Cc1[nH+]ccn1CCS[C@@H](C)CO	ZINC000161007326	180261373	/nfs/dbraw/zinc/26/13/73/180261373.db2.gz	JUOXNSAECCBGGV-QMMMGPOBSA-N	1	1	200.307	1.306	20	70		BDIDMO
CCOCCC[N@@H+]1CC[C@@H](N2CCCC2)C1	ZINC000160338813	355936037	/nfs/dbraw/zinc/93/60/37/355936037.db2.gz	CSWFSTUTJOJDTN-CYBMUJFWSA-N	1	1	226.364	1.583	20	70		BDIDMO
CCOCCC[N@H+]1CC[C@@H](N2CCCC2)C1	ZINC000160338813	355936042	/nfs/dbraw/zinc/93/60/42/355936042.db2.gz	CSWFSTUTJOJDTN-CYBMUJFWSA-N	1	1	226.364	1.583	20	70		BDIDMO
CCN(C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1	ZINC000160706192	357184245	/nfs/dbraw/zinc/18/42/45/357184245.db2.gz	CVSVATVNUUGVER-RYUDHWBXSA-N	1	1	239.363	1.474	20	70		BDIDMO
CC[N@@H+](CC(C)(C)O)[C@@H](C)CCOC	ZINC000160723977	538888336	/nfs/dbraw/zinc/88/83/36/538888336.db2.gz	KROQMQBUFSNHCX-JTQLQIEISA-N	1	1	203.326	1.504	20	70		BDIDMO
CCC[N@H+]1CCCN(C(=O)[C@@H](C)SC)CC1	ZINC000160394867	169193234	/nfs/dbraw/zinc/19/32/34/169193234.db2.gz	ZQEUYYGICKRNGI-LLVKDONJSA-N	1	1	244.404	1.682	20	70		BDIDMO
c1[nH+]c2c(n1C[C@@H]1CCCO1)CCCC2	ZINC000160719747	183538787	/nfs/dbraw/zinc/53/87/87/183538787.db2.gz	QQCKWPDGFZSBTJ-JTQLQIEISA-N	1	1	206.289	1.941	20	70		BDIDMO
CO[C@H]1CCC[N@@H+](CCOCC2CC2)C1	ZINC000160439457	383847950	/nfs/dbraw/zinc/84/79/50/383847950.db2.gz	VXZZOYSNMHUAIY-LBPRGKRZSA-N	1	1	213.321	1.524	20	70		BDIDMO
COC(=O)[C@H](C)[N@H+](C)CCc1ccc(F)cc1	ZINC000159560678	384342637	/nfs/dbraw/zinc/34/26/37/384342637.db2.gz	PWLWHWGXDCZLCP-JTQLQIEISA-N	1	1	239.290	1.862	20	70		BDIDMO
COC(=O)[C@H](C)[N@@H+](C)CCc1ccc(F)cc1	ZINC000159560678	384342644	/nfs/dbraw/zinc/34/26/44/384342644.db2.gz	PWLWHWGXDCZLCP-JTQLQIEISA-N	1	1	239.290	1.862	20	70		BDIDMO
CCSCC[N@@H+](CC)Cc1cnn(C)c1	ZINC000160096294	384385143	/nfs/dbraw/zinc/38/51/43/384385143.db2.gz	JOAVAAJQGFRHKP-UHFFFAOYSA-N	1	1	227.377	1.995	20	70		BDIDMO
C[N@H+](CCC[NH+]1CCCCC1)[C@H]1CCOC1	ZINC000161006676	384469256	/nfs/dbraw/zinc/46/92/56/384469256.db2.gz	SQVZVGOUNRFXJX-ZDUSSCGKSA-N	1	1	226.364	1.583	20	70		BDIDMO
C[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCOC1	ZINC000161006676	384469259	/nfs/dbraw/zinc/46/92/59/384469259.db2.gz	SQVZVGOUNRFXJX-ZDUSSCGKSA-N	1	1	226.364	1.583	20	70		BDIDMO
CC[N@@H+](CCCO)Cc1cccc(O)c1	ZINC000161300688	384961694	/nfs/dbraw/zinc/96/16/94/384961694.db2.gz	PUDYUMVIHJZCFG-UHFFFAOYSA-N	1	1	209.289	1.597	20	70		BDIDMO
C[C@]1(C(N)=O)CC[N@@H+](Cc2ccccc2)C1	ZINC000216636745	385869795	/nfs/dbraw/zinc/86/97/95/385869795.db2.gz	OKVOKQMZUHNWRE-ZDUSSCGKSA-N	1	1	218.300	1.384	20	70		BDIDMO
C[N@@H+](CCOCC1CC1)C[C@H]1CCCCO1	ZINC000159536348	388020690	/nfs/dbraw/zinc/02/06/90/388020690.db2.gz	KGZRTNXWFBPGPZ-CYBMUJFWSA-N	1	1	227.348	1.914	20	70		BDIDMO
CCc1cc(N(C)[C@H](C)CO)nc(C)[nH+]1	ZINC000159602135	388023308	/nfs/dbraw/zinc/02/33/08/388023308.db2.gz	HQQSKKUTYNRYSQ-MRVPVSSYSA-N	1	1	209.293	1.164	20	70		BDIDMO
CCSCC[N@H+]1CCC[C@H](OC)C1	ZINC000160439607	388066865	/nfs/dbraw/zinc/06/68/65/388066865.db2.gz	BIBMOHFGEWVGGE-JTQLQIEISA-N	1	1	203.351	1.850	20	70		BDIDMO
Cc1cc(C[N@H+]2CCC[C@@](C)(O)C2)on1	ZINC000160997918	388108584	/nfs/dbraw/zinc/10/85/84/388108584.db2.gz	DUEBZNRPVGHRAV-LLVKDONJSA-N	1	1	210.277	1.330	20	70		BDIDMO
C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](O)C1	ZINC000217724951	388570919	/nfs/dbraw/zinc/57/09/19/388570919.db2.gz	KPKYJGIGORPMKE-VHSXEESVSA-N	1	1	229.320	1.173	20	70		BDIDMO
C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](O)C1	ZINC000217724951	388570922	/nfs/dbraw/zinc/57/09/22/388570922.db2.gz	KPKYJGIGORPMKE-VHSXEESVSA-N	1	1	229.320	1.173	20	70		BDIDMO
COCC[N@@H+](C)Cc1cc(O)cc(F)c1	ZINC000159832882	174281346	/nfs/dbraw/zinc/28/13/46/174281346.db2.gz	OQUNICPOJDOTIS-UHFFFAOYSA-N	1	1	213.252	1.610	20	70		BDIDMO
C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C)N	ZINC000218300085	487647388	/nfs/dbraw/zinc/64/73/88/487647388.db2.gz	XIYHAARGCWDGHR-VHSXEESVSA-N	1	1	210.296	1.694	20	70		BDIDMO
C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cncs1	ZINC000159538760	323035947	/nfs/dbraw/zinc/03/59/47/323035947.db2.gz	NVVAXINXUMBKQP-RKDXNWHRSA-N	1	1	239.344	1.229	20	70		BDIDMO
CC[N@H+]1CCC[C@H]1CNC(=O)c1[nH]c(C)cc1C	ZINC000159575728	323038363	/nfs/dbraw/zinc/03/83/63/323038363.db2.gz	WZNDIWYZIZSWDC-LBPRGKRZSA-N	1	1	249.358	1.846	20	70		BDIDMO
C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccco1	ZINC000159639465	323041157	/nfs/dbraw/zinc/04/11/57/323041157.db2.gz	MLGFXTHVNWRCEC-NXEZZACHSA-N	1	1	222.288	1.365	20	70		BDIDMO
CS[C@@H](C)CNC(=O)NC[C@@H]1CCC[N@H+]1C	ZINC000159719902	323044583	/nfs/dbraw/zinc/04/45/83/323044583.db2.gz	OYKUUOKZUQOIAR-UWVGGRQHSA-N	1	1	245.392	1.131	20	70		BDIDMO
C[N@@H+](Cc1cnc2ccccn12)[C@@H]1CCOC1	ZINC000160221510	323064315	/nfs/dbraw/zinc/06/43/15/323064315.db2.gz	KXJSGMBKMMJCMG-LLVKDONJSA-N	1	1	231.299	1.555	20	70		BDIDMO
NC(=O)[C@@H]1CCC[N@H+]1Cc1coc2ccccc12	ZINC000160319631	323064732	/nfs/dbraw/zinc/06/47/32/323064732.db2.gz	LMBMDGYJRHKPPR-LBPRGKRZSA-N	1	1	244.294	1.883	20	70		BDIDMO
COC[C@@H](C)[NH2+][C@@H](C)c1cscn1	ZINC000161127264	323148069	/nfs/dbraw/zinc/14/80/69/323148069.db2.gz	CYEWUGBEFFGBGP-SFYZADRCSA-N	1	1	200.307	1.829	20	70		BDIDMO
CC[N@@H+](C[C@@H](C)CO)C[C@@H]1CCCO1	ZINC000160935714	538913355	/nfs/dbraw/zinc/91/33/55/538913355.db2.gz	FIWHTGXGIFZVLM-MNOVXSKESA-N	1	1	201.310	1.116	20	70		BDIDMO
C[N@H+](Cc1cnc2ccccn12)C[C@@H]1CCCO1	ZINC000159577859	345444585	/nfs/dbraw/zinc/44/45/85/345444585.db2.gz	PRYXEXPBLICVJD-ZDUSSCGKSA-N	1	1	245.326	1.945	20	70		BDIDMO
Oc1cc(F)cc(C[N@@H+]2CCCOCC2)c1	ZINC000159839358	345565242	/nfs/dbraw/zinc/56/52/42/345565242.db2.gz	GPIPOTBIILNYGX-UHFFFAOYSA-N	1	1	225.263	1.754	20	70		BDIDMO
Oc1cc(F)cc(C[N@H+]2CCCOCC2)c1	ZINC000159839358	345565244	/nfs/dbraw/zinc/56/52/44/345565244.db2.gz	GPIPOTBIILNYGX-UHFFFAOYSA-N	1	1	225.263	1.754	20	70		BDIDMO
CC[N@@H+](CCOCC1CC1)CCC(=O)OC	ZINC000159850739	345568746	/nfs/dbraw/zinc/56/87/46/345568746.db2.gz	ZJIUYFICCARPGV-UHFFFAOYSA-N	1	1	229.320	1.298	20	70		BDIDMO
CCOC(=O)C[C@@H](C)[N@@H+](C)CCSC	ZINC000160111636	345800754	/nfs/dbraw/zinc/80/07/54/345800754.db2.gz	OFGLTWGZCOABND-SECBINFHSA-N	1	1	219.350	1.623	20	70		BDIDMO
CC(C)[NH+]1CCN(C(=O)[C@H]2CCCCO2)CC1	ZINC000161182216	323150905	/nfs/dbraw/zinc/15/09/05/323150905.db2.gz	VDNGODWZZYEBGB-GFCCVEGCSA-N	1	1	240.347	1.108	20	70		BDIDMO
CCCC[N@H+](CCCO)Cc1nnc(CC)[nH]1	ZINC000160529936	349090416	/nfs/dbraw/zinc/09/04/16/349090416.db2.gz	NBXRSYMUFWWDJD-UHFFFAOYSA-N	1	1	240.351	1.352	20	70		BDIDMO
CCCC[N@@H+](CCCO)Cc1nnc(CC)[nH]1	ZINC000160529936	349090419	/nfs/dbraw/zinc/09/04/19/349090419.db2.gz	NBXRSYMUFWWDJD-UHFFFAOYSA-N	1	1	240.351	1.352	20	70		BDIDMO
Cc1[nH+]ccn1CCS[C@H](C)CO	ZINC000161007439	180261248	/nfs/dbraw/zinc/26/12/48/180261248.db2.gz	JUOXNSAECCBGGV-MRVPVSSYSA-N	1	1	200.307	1.306	20	70		BDIDMO
C[N@@H+](CCO)Cc1ccc(Cl)cn1	ZINC000159452236	538108279	/nfs/dbraw/zinc/10/82/79/538108279.db2.gz	UWFIXNMESXFOQN-UHFFFAOYSA-N	1	1	200.669	1.159	20	70		BDIDMO
CC1CCN(C(=O)NC[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000160378474	356667825	/nfs/dbraw/zinc/66/78/25/356667825.db2.gz	IKUFGBKNDFAXHA-LBPRGKRZSA-N	1	1	239.363	1.380	20	70		BDIDMO
CCO[C@H]1CCC[N@@H+](CCn2ccnc2)C1	ZINC000159841335	538879598	/nfs/dbraw/zinc/87/95/98/538879598.db2.gz	VOZCRQISVAZMCB-LBPRGKRZSA-N	1	1	223.320	1.384	20	70		BDIDMO
CN(C[C@H]1CCCO1)C[C@@H]1CCC[NH2+]C1	ZINC000218423036	134254575	/nfs/dbraw/zinc/25/45/75/134254575.db2.gz	VSSMFRZEVFEYCB-VXGBXAGGSA-N	1	1	212.337	1.097	20	70		BDIDMO
CCCCOCCN1CC[C@@H]([NH3+])[C@@H](C)C1	ZINC000218738656	134259756	/nfs/dbraw/zinc/25/97/56/134259756.db2.gz	JDFQWRCPTCOMSZ-NWDGAFQWSA-N	1	1	214.353	1.472	20	70		BDIDMO
CCOC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](C)C1	ZINC000217584661	535426805	/nfs/dbraw/zinc/42/68/05/535426805.db2.gz	GIHNKHVYABHMAP-VHSXEESVSA-N	1	1	215.293	1.049	20	70		BDIDMO
CCOC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](C)C1	ZINC000217584661	535426808	/nfs/dbraw/zinc/42/68/08/535426808.db2.gz	GIHNKHVYABHMAP-VHSXEESVSA-N	1	1	215.293	1.049	20	70		BDIDMO
CCCC[C@@H](C(=O)OC)[N@@H+](C)CCCOC	ZINC000160798252	361328488	/nfs/dbraw/zinc/32/84/88/361328488.db2.gz	BFTIKGKARNZXPM-NSHDSACASA-N	1	1	231.336	1.687	20	70		BDIDMO
C[C@H]1CN(CC[C@@H]2CCC[N@H+]2C)CC(C)(C)O1	ZINC000161465594	369098073	/nfs/dbraw/zinc/09/80/73/369098073.db2.gz	WLPBGGOHQRAMFM-STQMWFEESA-N	1	1	240.391	1.970	20	70		BDIDMO
CC[C@@H](C)[N@@H+](C)CCNCc1nccs1	ZINC000218184867	372078933	/nfs/dbraw/zinc/07/89/33/372078933.db2.gz	HPUZFBDFEKZXIG-SNVBAGLBSA-N	1	1	227.377	1.963	20	70		BDIDMO
CCC[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1	ZINC000160388523	169193812	/nfs/dbraw/zinc/19/38/12/169193812.db2.gz	ZFGLGLOPNCKCRR-UHFFFAOYSA-N	1	1	235.331	1.573	20	70		BDIDMO
CCCOCC(=O)N1CCC[N@@H+](CCC)CC1	ZINC000160366052	169303092	/nfs/dbraw/zinc/30/30/92/169303092.db2.gz	UPJBIUDFFIBOIR-UHFFFAOYSA-N	1	1	242.363	1.357	20	70		BDIDMO
COC[C@H]1CCC[N@@H+](CCn2ccnc2)C1	ZINC000159821673	384360300	/nfs/dbraw/zinc/36/03/00/384360300.db2.gz	FFXHMJWWBPXLTR-LBPRGKRZSA-N	1	1	223.320	1.242	20	70		BDIDMO
CC(C)[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1	ZINC000159385847	384327840	/nfs/dbraw/zinc/32/78/40/384327840.db2.gz	BZMZLPLUYAKQOK-NEPJUHHUSA-N	1	1	239.315	1.812	20	70		BDIDMO
CC(C)[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1	ZINC000159385847	384327843	/nfs/dbraw/zinc/32/78/43/384327843.db2.gz	BZMZLPLUYAKQOK-NEPJUHHUSA-N	1	1	239.315	1.812	20	70		BDIDMO
Cc1nonc1Cn1c[nH+]c2c1CCCC2	ZINC000160724439	384429484	/nfs/dbraw/zinc/42/94/84/384429484.db2.gz	WFPBVPJVVADWJH-UHFFFAOYSA-N	1	1	218.260	1.502	20	70		BDIDMO
C[N@@H+](CCn1ccnc1)C[C@H]1CCCCO1	ZINC000161448803	384489605	/nfs/dbraw/zinc/48/96/05/384489605.db2.gz	NRMXFTCAIJVBMD-GFCCVEGCSA-N	1	1	223.320	1.384	20	70		BDIDMO
CCOCC[NH2+][C@H](C)c1cscn1	ZINC000161157279	384852591	/nfs/dbraw/zinc/85/25/91/384852591.db2.gz	GPVPIACEVMRFHZ-MRVPVSSYSA-N	1	1	200.307	1.830	20	70		BDIDMO
CC[C@](C)(O)C[N@H+]1CCC[C@H](COC)C1	ZINC000161098936	385194317	/nfs/dbraw/zinc/19/43/17/385194317.db2.gz	XRYXQIQFGBLAPH-RYUDHWBXSA-N	1	1	215.337	1.506	20	70		BDIDMO
C[C@H](CCC(C)(C)C)NC(=O)[C@H]1CSC[NH2+]1	ZINC000161228669	388414207	/nfs/dbraw/zinc/41/42/07/388414207.db2.gz	JKUXDANCJMRVTO-NXEZZACHSA-N	1	1	244.404	1.980	20	70		BDIDMO
CCOCCC[N@@H+](CC)Cc1cnn(C)c1	ZINC000160097856	397949833	/nfs/dbraw/zinc/94/98/33/397949833.db2.gz	BRLDTZMVCBYEPO-UHFFFAOYSA-N	1	1	225.336	1.669	20	70		BDIDMO
C[C@H](Cc1ccccc1F)[NH2+]C[C@H](C)N	ZINC000218300535	411435292	/nfs/dbraw/zinc/43/52/92/411435292.db2.gz	CGYUQCCQTUIIEZ-VHSXEESVSA-N	1	1	210.296	1.694	20	70		BDIDMO
C[C@H](Cc1ccccc1F)NC[C@H](C)[NH3+]	ZINC000218300535	411435295	/nfs/dbraw/zinc/43/52/95/411435295.db2.gz	CGYUQCCQTUIIEZ-VHSXEESVSA-N	1	1	210.296	1.694	20	70		BDIDMO
C[C@@H]1C[C@H](N2CC[N@H+]3CCC[C@@H]3C2)CCO1	ZINC000218590210	411927577	/nfs/dbraw/zinc/92/75/77/411927577.db2.gz	YLAFSTXCAUZDMR-JHJVBQTASA-N	1	1	224.348	1.334	20	70		BDIDMO
Cc1ccoc1C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C	ZINC000159648257	323041979	/nfs/dbraw/zinc/04/19/79/323041979.db2.gz	SKQIMPOUZCYKRU-QWRGUYRKSA-N	1	1	236.315	1.674	20	70		BDIDMO
CC(C)C[C@@H](C)NC(=O)NC[C@H]1CCC[N@H+]1C	ZINC000159710608	323044259	/nfs/dbraw/zinc/04/42/59/323044259.db2.gz	BXCQTDOJEFVKII-VXGBXAGGSA-N	1	1	241.379	1.814	20	70		BDIDMO
CC(C)OC(=O)CC[N@@H+](C)C[C@H]1CCC[C@@H]1O	ZINC000159838094	323050432	/nfs/dbraw/zinc/05/04/32/323050432.db2.gz	WHJVVNAXZKAUAU-NEPJUHHUSA-N	1	1	243.347	1.421	20	70		BDIDMO
C[C@H]([NH2+]CCn1ccnc1)c1cscn1	ZINC000161138344	323149047	/nfs/dbraw/zinc/14/90/47/323149047.db2.gz	NKOGPKNINSCCFW-VIFPVBQESA-N	1	1	222.317	1.690	20	70		BDIDMO
[NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(Cl)nc1	ZINC000216715172	592072489	/nfs/dbraw/zinc/07/24/89/592072489.db2.gz	GUHNBXGHKHHQCL-WDEREUQCSA-N	1	1	239.750	1.952	20	70		BDIDMO
CC(C)C[C@H](C)NC(=O)NC[C@H]1CCC[N@H+]1C	ZINC000159710718	323044267	/nfs/dbraw/zinc/04/42/67/323044267.db2.gz	BXCQTDOJEFVKII-NWDGAFQWSA-N	1	1	241.379	1.814	20	70		BDIDMO
COCCC[N@H+](C)Cc1nccn1C(C)C	ZINC000160858169	201741127	/nfs/dbraw/zinc/74/11/27/201741127.db2.gz	JBJIPIWFMJLUKM-UHFFFAOYSA-N	1	1	225.336	1.932	20	70		BDIDMO
COCCC[N@@H+](C)Cc1nccn1C(C)C	ZINC000160858169	201741129	/nfs/dbraw/zinc/74/11/29/201741129.db2.gz	JBJIPIWFMJLUKM-UHFFFAOYSA-N	1	1	225.336	1.932	20	70		BDIDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1(C)CCC1	ZINC000160581884	323073013	/nfs/dbraw/zinc/07/30/13/323073013.db2.gz	RUOWBMADLOOTKU-LLVKDONJSA-N	1	1	241.379	1.959	20	70		BDIDMO
C(C[NH+]1CCOCC1)SC[C@H]1CCCO1	ZINC000160040918	345790662	/nfs/dbraw/zinc/79/06/62/345790662.db2.gz	ADXPZDIDUSQXND-LLVKDONJSA-N	1	1	231.361	1.231	20	70		BDIDMO
CC[C@H]1CCC[N@H+](Cc2nncn2C)C1	ZINC000160782012	323135357	/nfs/dbraw/zinc/13/53/57/323135357.db2.gz	OYOCMZPVDRCPJA-JTQLQIEISA-N	1	1	208.309	1.437	20	70		BDIDMO
CC[C@H]1CCC[N@@H+](Cc2nncn2C)C1	ZINC000160782012	323135358	/nfs/dbraw/zinc/13/53/58/323135358.db2.gz	OYOCMZPVDRCPJA-JTQLQIEISA-N	1	1	208.309	1.437	20	70		BDIDMO
COC(=O)[C@H]1CCC[N@@H+](CCOCC2CC2)C1	ZINC000160344973	347474645	/nfs/dbraw/zinc/47/46/45/347474645.db2.gz	SOAQCFMHNUWIDS-LBPRGKRZSA-N	1	1	241.331	1.298	20	70		BDIDMO
c1ncc(CN2CCC[N@H+]3CCC[C@@H]3C2)s1	ZINC000161276015	349414151	/nfs/dbraw/zinc/41/41/51/349414151.db2.gz	GNVYXPQQBITYOH-LLVKDONJSA-N	1	1	237.372	1.813	20	70		BDIDMO
CC[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1	ZINC000161247824	349414996	/nfs/dbraw/zinc/41/49/96/349414996.db2.gz	HHKXSEMRJLQFBR-CYBMUJFWSA-N	1	1	225.380	1.108	20	70		BDIDMO
Cc1[nH+]ccn1CCCS(=O)(=O)C(C)C	ZINC000160657818	180247258	/nfs/dbraw/zinc/24/72/58/180247258.db2.gz	TUIXMLVLHDMKGS-UHFFFAOYSA-N	1	1	230.333	1.405	20	70		BDIDMO
CC[N@H+]1CCCN(C(=O)NC2CC=CC2)CC1	ZINC000159988004	538881012	/nfs/dbraw/zinc/88/10/12/538881012.db2.gz	KXCHTGORHJCPJR-UHFFFAOYSA-N	1	1	237.347	1.442	20	70		BDIDMO
CCCC[C@H](C(=O)OC)[N@H+](C)CCOC	ZINC000160797831	361328203	/nfs/dbraw/zinc/32/82/03/361328203.db2.gz	VJWMKRIPIATFIP-SNVBAGLBSA-N	1	1	217.309	1.296	20	70		BDIDMO
CCCC[C@H](C(=O)OC)[N@@H+](C)CCOC	ZINC000160797831	361328208	/nfs/dbraw/zinc/32/82/08/361328208.db2.gz	VJWMKRIPIATFIP-SNVBAGLBSA-N	1	1	217.309	1.296	20	70		BDIDMO
CC[C@H]1CCC[C@@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1	ZINC000159663186	384349298	/nfs/dbraw/zinc/34/92/98/384349298.db2.gz	LXGQKESIQVKZLN-SRVKXCTJSA-N	1	1	240.347	1.012	20	70		BDIDMO
CC[C@H]1CCC[C@@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000159663186	384349302	/nfs/dbraw/zinc/34/93/02/384349302.db2.gz	LXGQKESIQVKZLN-SRVKXCTJSA-N	1	1	240.347	1.012	20	70		BDIDMO
CCSCC[NH+]1CCN(CC(F)F)CC1	ZINC000159842802	384361999	/nfs/dbraw/zinc/36/19/99/384361999.db2.gz	IWAMJJAPDWCJJA-UHFFFAOYSA-N	1	1	238.347	1.622	20	70		BDIDMO
CC[N@@H+](CCOCCO)CCc1nccs1	ZINC000159424864	384330510	/nfs/dbraw/zinc/33/05/10/384330510.db2.gz	KCKHUSBHMBNGOI-UHFFFAOYSA-N	1	1	244.360	1.016	20	70		BDIDMO
C[N@H+]1CCCN(C(=O)N2CCCCCC2)CC1	ZINC000160339123	384401997	/nfs/dbraw/zinc/40/19/97/384401997.db2.gz	JGUZQTICSHVOQA-UHFFFAOYSA-N	1	1	239.363	1.620	20	70		BDIDMO
Cc1noc(Cn2c[nH+]c3c2CCCC3)n1	ZINC000160720518	384430193	/nfs/dbraw/zinc/43/01/93/384430193.db2.gz	VCLCSIVODUYZLI-UHFFFAOYSA-N	1	1	218.260	1.502	20	70		BDIDMO
CN1CCC[C@@H]1CC[N@@H+]1CCCSCC1	ZINC000161476951	384492175	/nfs/dbraw/zinc/49/21/75/384492175.db2.gz	XZWLRIQSLACOIH-GFCCVEGCSA-N	1	1	228.405	1.910	20	70		BDIDMO
CN1CCC[C@@H]1CC[N@H+]1CCCSCC1	ZINC000161476951	384492183	/nfs/dbraw/zinc/49/21/83/384492183.db2.gz	XZWLRIQSLACOIH-GFCCVEGCSA-N	1	1	228.405	1.910	20	70		BDIDMO
CCSCC[N@@H+](C)[C@@H]1CCCCNC1=O	ZINC000160295971	384656267	/nfs/dbraw/zinc/65/62/67/384656267.db2.gz	VMSUNYWMYCUMMN-SNVBAGLBSA-N	1	1	230.377	1.340	20	70		BDIDMO
CC[C@@](C)(O)C[N@H+](C)C[C@@H]1CCCN(C)C1	ZINC000161222802	384935387	/nfs/dbraw/zinc/93/53/87/384935387.db2.gz	ZZOAPIMSXOIOIT-CHWSQXEVSA-N	1	1	228.380	1.421	20	70		BDIDMO
CC[C@@](C)(O)C[N@@H+](C)C[C@@H]1CCCN(C)C1	ZINC000161222802	384935393	/nfs/dbraw/zinc/93/53/93/384935393.db2.gz	ZZOAPIMSXOIOIT-CHWSQXEVSA-N	1	1	228.380	1.421	20	70		BDIDMO
CCSCC[N@H+]1CCC[C@@H](OC)C1	ZINC000160439715	388067225	/nfs/dbraw/zinc/06/72/25/388067225.db2.gz	BIBMOHFGEWVGGE-SNVBAGLBSA-N	1	1	203.351	1.850	20	70		BDIDMO
OC[C@@H]1CCCCN1CCC[NH+]1CCCCC1	ZINC000160569035	388074214	/nfs/dbraw/zinc/07/42/14/388074214.db2.gz	KQFOABMTUWWMLQ-AWEZNQCLSA-N	1	1	240.391	1.709	20	70		BDIDMO
OC[C@@H]1CCCC[N@@H+]1CCCN1CCCCC1	ZINC000160569035	388074216	/nfs/dbraw/zinc/07/42/16/388074216.db2.gz	KQFOABMTUWWMLQ-AWEZNQCLSA-N	1	1	240.391	1.709	20	70		BDIDMO
OC[C@@H]1CCCC[N@H+]1CCCN1CCCCC1	ZINC000160569035	388074219	/nfs/dbraw/zinc/07/42/19/388074219.db2.gz	KQFOABMTUWWMLQ-AWEZNQCLSA-N	1	1	240.391	1.709	20	70		BDIDMO
CC[C@@H]([NH2+]CC(N)=O)c1ccc(F)cc1F	ZINC000160668639	388082674	/nfs/dbraw/zinc/08/26/74/388082674.db2.gz	TXWMFLPBRWXKLL-SNVBAGLBSA-N	1	1	228.242	1.491	20	70		BDIDMO
CC(C)OC[C@H](O)C[N@H+]1CCCC[C@@H]1C	ZINC000217541360	167267304	/nfs/dbraw/zinc/26/73/04/167267304.db2.gz	JAJLXFMHKQDWDI-NWDGAFQWSA-N	1	1	215.337	1.647	20	70		BDIDMO
CCOCC[N@@H+](C)Cc1ccc(CO)o1	ZINC000161234211	170390257	/nfs/dbraw/zinc/39/02/57/170390257.db2.gz	OZAQAEQKQLMRTM-UHFFFAOYSA-N	1	1	213.277	1.240	20	70		BDIDMO
COc1ccnc(NC(=O)[C@H]2CCC[N@@H+]2C)c1	ZINC000161430787	175363462	/nfs/dbraw/zinc/36/34/62/175363462.db2.gz	QGQPJZVXUGLRTM-SNVBAGLBSA-N	1	1	235.287	1.123	20	70		BDIDMO
COc1ccnc(NC(=O)[C@H]2CCC[N@H+]2C)c1	ZINC000161430787	175363464	/nfs/dbraw/zinc/36/34/64/175363464.db2.gz	QGQPJZVXUGLRTM-SNVBAGLBSA-N	1	1	235.287	1.123	20	70		BDIDMO
C[C@@H](N)C[NH2+][C@@H](C)Cc1ccccc1F	ZINC000218300383	487647066	/nfs/dbraw/zinc/64/70/66/487647066.db2.gz	CGYUQCCQTUIIEZ-ZJUUUORDSA-N	1	1	210.296	1.694	20	70		BDIDMO
C[C@@H]([NH3+])CN[C@@H](C)Cc1ccccc1F	ZINC000218300383	487647070	/nfs/dbraw/zinc/64/70/70/487647070.db2.gz	CGYUQCCQTUIIEZ-ZJUUUORDSA-N	1	1	210.296	1.694	20	70		BDIDMO
CC[C@H](C)OCC(=O)NC[C@@H]1CC[N@@H+](CC)C1	ZINC000160122391	323061021	/nfs/dbraw/zinc/06/10/21/323061021.db2.gz	GBAPSNYEUWZZRF-RYUDHWBXSA-N	1	1	242.363	1.260	20	70		BDIDMO
C[C@H](CNC(=O)NC1(C)CCC1)[N@@H+](C)C1CC1	ZINC000160813043	323136304	/nfs/dbraw/zinc/13/63/04/323136304.db2.gz	AYVXLFVIAXKXOJ-SNVBAGLBSA-N	1	1	239.363	1.711	20	70		BDIDMO
CC[N@H+](Cc1cnn(C)c1)Cc1cccnc1	ZINC000161120675	323147544	/nfs/dbraw/zinc/14/75/44/323147544.db2.gz	YYCGTAUVRYSIKD-UHFFFAOYSA-N	1	1	230.315	1.837	20	70		BDIDMO
CC[N@@H+](Cc1cnn(C)c1)Cc1cccnc1	ZINC000161120675	323147545	/nfs/dbraw/zinc/14/75/45/323147545.db2.gz	YYCGTAUVRYSIKD-UHFFFAOYSA-N	1	1	230.315	1.837	20	70		BDIDMO