smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc([C@@H]2CCC[N@H+]2CCCC(C)(C)C#N)cs1	ZINC000189779166	262175941	/nfs/dbraw/zinc/17/59/41/262175941.db2.gz	HHLMOTLTXRTBBJ-AWEZNQCLSA-N	1	1	277.437	3.918	10	30		CHEEMO
C=CC[N@H+]1CCc2ccccc2[C@@H](c2ccccc2)C1	ZINC000021983394	171344769	/nfs/dbraw/zinc/34/47/69/171344769.db2.gz	SOOKFCWCHCJXHV-LJQANCHMSA-N	1	1	263.384	3.863	10	30		CHEEMO
C=CC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1	ZINC000180141907	329217900	/nfs/dbraw/zinc/21/79/00/329217900.db2.gz	PQLUOSOQHOMLRS-BPIHKTFHSA-N	1	1	284.447	3.736	10	30		CHEEMO
N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1	ZINC000061892540	333475115	/nfs/dbraw/zinc/47/51/15/333475115.db2.gz	QAOPVWPGEHMAIT-GXFFZTMASA-N	1	1	269.175	3.775	10	30		CHEEMO
N#Cc1ccc(OCC[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1	ZINC000035174453	172028128	/nfs/dbraw/zinc/02/81/28/172028128.db2.gz	YSWJASJXHCMWRK-WMZOPIPTSA-N	1	1	284.403	3.592	10	30		CHEEMO
C[C@@H](Nc1ccc2c(c1)C[N@H+](C)C2)c1ccc(C#N)cc1	ZINC000173989793	329152032	/nfs/dbraw/zinc/15/20/32/329152032.db2.gz	CZACGRPESPHFSS-CYBMUJFWSA-N	1	1	277.371	3.677	10	30		CHEEMO
N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1	ZINC000163441314	331039228	/nfs/dbraw/zinc/03/92/28/331039228.db2.gz	GBNXHDPSOGLNAJ-ZWNOBZJWSA-N	1	1	286.272	3.626	10	30		CHEEMO
N#C[C@H]1CCC[C@@H]1[NH2+][C@H]1CCSc2c(F)cccc21	ZINC000061892344	526513874	/nfs/dbraw/zinc/51/38/74/526513874.db2.gz	LOJIDVWOQVFHMU-SWHYSGLUSA-N	1	1	276.380	3.644	10	30		CHEEMO
CCCCCCCCC[N@@H+](CCC)CC(=O)OC	ZINC000110448592	186297639	/nfs/dbraw/zinc/29/76/39/186297639.db2.gz	HKGXJRDYIHMQMY-UHFFFAOYSA-N	1	1	257.418	3.622	10	30		CHEEMO
Cc1csc([C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)n1	ZINC000156971329	526442408	/nfs/dbraw/zinc/44/24/08/526442408.db2.gz	VBLQXVKRIVGJBG-INIZCTEOSA-N	1	1	297.427	3.703	10	30		CHEEMO
C[C@@H]([NH2+]CCC#N)c1ccc(-c2ccccc2)cc1	ZINC000020199597	262232635	/nfs/dbraw/zinc/23/26/35/262232635.db2.gz	AQTNXWHXRAOBNU-CQSZACIVSA-N	1	1	250.345	3.918	10	30		CHEEMO
Fc1ccc(C#CC[N@@H+]2CCC[C@@H]2c2ccco2)cc1	ZINC000120177339	267389831	/nfs/dbraw/zinc/38/98/31/267389831.db2.gz	BPFFCNWSZJCTRK-MRXNPFEDSA-N	1	1	269.319	3.607	10	30		CHEEMO
Fc1ccc(C#CC[N@H+]2CCC[C@@H]2c2ccco2)cc1	ZINC000120177339	267389833	/nfs/dbraw/zinc/38/98/33/267389833.db2.gz	BPFFCNWSZJCTRK-MRXNPFEDSA-N	1	1	269.319	3.607	10	30		CHEEMO
C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1cccc(Br)c1	ZINC000148092729	329562074	/nfs/dbraw/zinc/56/20/74/329562074.db2.gz	HSTXIUVZOUPTSJ-JKOKRWQUSA-N	1	1	293.208	3.792	10	30		CHEEMO
N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F	ZINC000167110258	331307964	/nfs/dbraw/zinc/30/79/64/331307964.db2.gz	JOGFQLDASPEGLV-ZANVPECISA-N	1	1	286.272	3.626	10	30		CHEEMO
C=CCCCCC[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C	ZINC000193338631	333248268	/nfs/dbraw/zinc/24/82/68/333248268.db2.gz	MQBZKTORPIGPQM-INIZCTEOSA-N	1	1	275.440	3.920	10	30		CHEEMO
CC(C)c1[nH+]c2cc(N)ccc2n1-c1ccc(C#N)cc1	ZINC000052842395	519869081	/nfs/dbraw/zinc/86/90/81/519869081.db2.gz	OZRUFWCBPXZJHX-UHFFFAOYSA-N	1	1	276.343	3.603	10	30		CHEEMO
CCCCCCCCC[N@@H+](CC)CCC(=O)OC	ZINC000110044059	186283169	/nfs/dbraw/zinc/28/31/69/186283169.db2.gz	SXAGRYDQUFWGDB-UHFFFAOYSA-N	1	1	257.418	3.622	10	30		CHEEMO
CC(C)(C#N)CCC[N@H+]1CCC[C@H]1c1nccs1	ZINC000377933382	329035328	/nfs/dbraw/zinc/03/53/28/329035328.db2.gz	UWMAWZUHASMSRB-LBPRGKRZSA-N	1	1	263.410	3.610	10	30		CHEEMO
N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1	ZINC000163441431	331039303	/nfs/dbraw/zinc/03/93/03/331039303.db2.gz	GBNXHDPSOGLNAJ-MFKMUULPSA-N	1	1	286.272	3.626	10	30		CHEEMO
N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F	ZINC000167109986	331307979	/nfs/dbraw/zinc/30/79/79/331307979.db2.gz	JOGFQLDASPEGLV-NOZJJQNGSA-N	1	1	286.272	3.626	10	30		CHEEMO
CCCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)cc1	ZINC000061891696	333475097	/nfs/dbraw/zinc/47/50/97/333475097.db2.gz	AQSFPBADFMQSMY-DOTOQJQBSA-N	1	1	272.392	3.647	10	30		CHEEMO
CCN(C[C@@H](C)C#N)c1cc(C)[nH+]c2ccccc21	ZINC000042449885	174742937	/nfs/dbraw/zinc/74/29/37/174742937.db2.gz	HATCRZIEMIYAES-LBPRGKRZSA-N	1	1	253.349	3.529	10	30		CHEEMO
Cc1csc([C@H]2CCC[N@@H+](CCCC(C)(C)C#N)C2)n1	ZINC000174838366	329163763	/nfs/dbraw/zinc/16/37/63/329163763.db2.gz	QSRYOTHQVFTNRI-AWEZNQCLSA-N	1	1	291.464	3.961	10	30		CHEEMO
C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1ccc(Br)cc1	ZINC000054826940	330242589	/nfs/dbraw/zinc/24/25/89/330242589.db2.gz	VBBNSVRUTYBSMG-ZKYQVNSYSA-N	1	1	293.208	3.792	10	30		CHEEMO
C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1ccc(Br)cc1	ZINC000160055507	330857750	/nfs/dbraw/zinc/85/77/50/330857750.db2.gz	VBBNSVRUTYBSMG-VHRBIJSZSA-N	1	1	293.208	3.792	10	30		CHEEMO
N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1	ZINC000061892539	333474913	/nfs/dbraw/zinc/47/49/13/333474913.db2.gz	QAOPVWPGEHMAIT-MFKMUULPSA-N	1	1	269.175	3.775	10	30		CHEEMO
C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1ccc(OC(F)F)cc1	ZINC000061891720	333475025	/nfs/dbraw/zinc/47/50/25/333475025.db2.gz	CNOOBYHGZFBUEU-SUHUHFCYSA-N	1	1	280.318	3.631	10	30		CHEEMO
CCc1oc2ccccc2c1C[NH2+][C@@H]1CCC[C@@H]1C#N	ZINC000061892038	333475029	/nfs/dbraw/zinc/47/50/29/333475029.db2.gz	QONMHYNXTQKNBZ-IUODEOHRSA-N	1	1	268.360	3.777	10	30		CHEEMO
COc1ccc2ccccc2c1C[NH2+][C@H]1CCC[C@@H]1C#N	ZINC000061891859	333475063	/nfs/dbraw/zinc/47/50/63/333475063.db2.gz	DTGHCLHYINVDTO-PBHICJAKSA-N	1	1	280.371	3.630	10	30		CHEEMO
Cc1csc([C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)n1	ZINC000156980651	526442017	/nfs/dbraw/zinc/44/20/17/526442017.db2.gz	HUANGJINBNHEFI-INIZCTEOSA-N	1	1	297.427	3.703	10	30		CHEEMO
C=CC[N@H+](Cc1ccco1)Cc1ccc(-n2cccn2)cc1	ZINC000055401322	566870021	/nfs/dbraw/zinc/87/00/21/566870021.db2.gz	QHFJNZBMNVFFQW-UHFFFAOYSA-N	1	1	293.370	3.654	10	30		CHEEMO
C=CC[N@@H+](Cc1ccco1)Cc1ccc(-n2cccn2)cc1	ZINC000055401322	566870024	/nfs/dbraw/zinc/87/00/24/566870024.db2.gz	QHFJNZBMNVFFQW-UHFFFAOYSA-N	1	1	293.370	3.654	10	30		CHEEMO
CCCCCCCC[N@@H+](C)C1(CN)CCCCC1	ZINC000110106496	186285582	/nfs/dbraw/zinc/28/55/82/186285582.db2.gz	HWYBORZZYDNFBR-UHFFFAOYSA-N	1	1	254.462	3.940	10	30		CHEEMO
CCCCCCC[N@@H+](CC)C1(CN)CCCCC1	ZINC000110448749	186296916	/nfs/dbraw/zinc/29/69/16/186296916.db2.gz	JPKLUEAXTNWGQJ-UHFFFAOYSA-N	1	1	254.462	3.940	10	30		CHEEMO
C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(F)c(Cl)c1	ZINC000112535059	327286245	/nfs/dbraw/zinc/28/62/45/327286245.db2.gz	ZDPWKVLETJTWIA-WDEREUQCSA-N	1	1	279.746	3.573	10	30		CHEEMO
N#C[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1Cl	ZINC000054823486	526512416	/nfs/dbraw/zinc/51/24/16/526512416.db2.gz	YWYCZCFFTOSQNM-DOMZBBRYSA-N	1	1	262.784	3.902	10	30		CHEEMO
C[C@H](Cc1cccs1)[NH2+][C@H](CC#N)c1ccccc1	ZINC000071269970	176103335	/nfs/dbraw/zinc/10/33/35/176103335.db2.gz	OZSNWRZJHCDJJB-CZUORRHYSA-N	1	1	270.401	3.924	10	30		CHEEMO
C=CCCCCC[N@@H+]1CCC[C@H](n2ccnc2CC)C1	ZINC000193338728	265386974	/nfs/dbraw/zinc/38/69/74/265386974.db2.gz	DYOIFQXQMKNJRW-INIZCTEOSA-N	1	1	275.440	3.829	10	30		CHEEMO
C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1cccc(Br)c1	ZINC000054825819	330242684	/nfs/dbraw/zinc/24/26/84/330242684.db2.gz	HSTXIUVZOUPTSJ-ZKYQVNSYSA-N	1	1	293.208	3.792	10	30		CHEEMO
N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F	ZINC000167110163	331307897	/nfs/dbraw/zinc/30/78/97/331307897.db2.gz	JOGFQLDASPEGLV-TVQRCGJNSA-N	1	1	286.272	3.626	10	30		CHEEMO
CCO[C@H]1C[C@H]([N@@H+](C)CCCC(C)(C)C#N)C12CCCC2	ZINC000174872829	333009573	/nfs/dbraw/zinc/00/95/73/333009573.db2.gz	LEYUTKJVHMRFJJ-HOTGVXAUSA-N	1	1	292.467	3.986	10	30		CHEEMO
C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1ccc(OC(F)F)cc1	ZINC000251236137	334358581	/nfs/dbraw/zinc/35/85/81/334358581.db2.gz	CNOOBYHGZFBUEU-VHRBIJSZSA-N	1	1	280.318	3.631	10	30		CHEEMO
C=CC[C@H]1C=C(C)C[C@H](CC=C)[N@@H+]1Cc1cc(C)n[nH]1	ZINC000055224968	566868526	/nfs/dbraw/zinc/86/85/26/566868526.db2.gz	TZHAWTULZQVZKJ-IRXDYDNUSA-N	1	1	271.408	3.760	10	30		CHEEMO
C=CC[C@H]1C=C(C)C[C@H](CC=C)[N@H+]1Cc1cc(C)[nH]n1	ZINC000055224968	566868532	/nfs/dbraw/zinc/86/85/32/566868532.db2.gz	TZHAWTULZQVZKJ-IRXDYDNUSA-N	1	1	271.408	3.760	10	30		CHEEMO
Cn1cc(C[N@H+]2CCC[C@H]2/C=C/c2cccs2)cc1C#N	ZINC000365256831	1119791771	/nfs/dbraw/zinc/79/17/71/1119791771.db2.gz	OZYGFLKMTVXNFV-LFAOLKIESA-N	1	1	297.427	3.636	10	30		CHEEMO
N#CCCCC[N@@H+]1CCC[C@@H](c2cc(F)ccc2F)C1	ZINC000191685829	1125327424	/nfs/dbraw/zinc/32/74/24/1125327424.db2.gz	ASGZFGLOQVWWFM-CYBMUJFWSA-N	1	1	278.346	3.838	10	30		CHEEMO
C[C@@H](Cc1cccs1)[NH2+][C@@H](CC#N)c1ccccc1	ZINC000071269963	176103183	/nfs/dbraw/zinc/10/31/83/176103183.db2.gz	OZSNWRZJHCDJJB-BBRMVZONSA-N	1	1	270.401	3.924	10	30		CHEEMO
CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1CCCCC#N	ZINC000066896649	260249785	/nfs/dbraw/zinc/24/97/85/260249785.db2.gz	ITRDEVCMLCJZNA-MRXNPFEDSA-N	1	1	272.392	3.532	10	30		CHEEMO
CCCCCCCC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C	ZINC000177158862	329181448	/nfs/dbraw/zinc/18/14/48/329181448.db2.gz	CBZDOCDVOSENFK-MRXNPFEDSA-N	1	1	291.439	3.543	10	30		CHEEMO
N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1	ZINC000163441538	331039266	/nfs/dbraw/zinc/03/92/66/331039266.db2.gz	GBNXHDPSOGLNAJ-GXFFZTMASA-N	1	1	286.272	3.626	10	30		CHEEMO
N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1	ZINC000061892541	333474978	/nfs/dbraw/zinc/47/49/78/333474978.db2.gz	QAOPVWPGEHMAIT-GWCFXTLKSA-N	1	1	269.175	3.775	10	30		CHEEMO
CCCCCCC[C@@](C)([NH2+]CC1CC1)C(=O)OCC	ZINC000103080199	185806848	/nfs/dbraw/zinc/80/68/48/185806848.db2.gz	HKMCSLNFRRUZMP-MRXNPFEDSA-N	1	1	269.429	3.668	10	30		CHEEMO
CCCCCCCC[N@H+]1C[C@H](C(C)C)NC[C@@H]1C	ZINC000106166959	186104238	/nfs/dbraw/zinc/10/42/38/186104238.db2.gz	PSTFALBMNYBDMR-JKSUJKDBSA-N	1	1	254.462	3.665	10	30		CHEEMO
CCCCCCCCN1C[C@H](C(C)C)[NH2+]C[C@@H]1C	ZINC000106166959	186104240	/nfs/dbraw/zinc/10/42/40/186104240.db2.gz	PSTFALBMNYBDMR-JKSUJKDBSA-N	1	1	254.462	3.665	10	30		CHEEMO
CC[C@@H]1CC[C@H](C#N)[C@H]([N@H+](C)Cc2cccs2)C1	ZINC000035717351	172371565	/nfs/dbraw/zinc/37/15/65/172371565.db2.gz	PIGNDEAUEQRSOM-UMVBOHGHSA-N	1	1	262.422	3.898	10	30		CHEEMO
CC[C@@H]1CC[C@H](C#N)[C@H]([N@@H+](C)Cc2cccs2)C1	ZINC000035717351	172371567	/nfs/dbraw/zinc/37/15/67/172371567.db2.gz	PIGNDEAUEQRSOM-UMVBOHGHSA-N	1	1	262.422	3.898	10	30		CHEEMO
CC[C@@H]1CC[C@H](C#N)[C@H]([N@H+](C)Cc2ccsc2)C1	ZINC000035719189	172372749	/nfs/dbraw/zinc/37/27/49/172372749.db2.gz	HSPZSQVKQLEQQK-BPLDGKMQSA-N	1	1	262.422	3.898	10	30		CHEEMO
CC[C@@H]1CC[C@H](C#N)[C@H]([N@@H+](C)Cc2ccsc2)C1	ZINC000035719189	172372751	/nfs/dbraw/zinc/37/27/51/172372751.db2.gz	HSPZSQVKQLEQQK-BPLDGKMQSA-N	1	1	262.422	3.898	10	30		CHEEMO
C[C@@](C#N)(CCc1ccccc1)[NH+]1CCCCCC1	ZINC000038086225	174096726	/nfs/dbraw/zinc/09/67/26/174096726.db2.gz	RGGXSKYRALQHCA-KRWDZBQOSA-N	1	1	256.393	3.777	10	30		CHEEMO
N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccco2)c(F)c1	ZINC000116287990	267135723	/nfs/dbraw/zinc/13/57/23/267135723.db2.gz	GVEBPAJOCXDPAP-HNNXBMFYSA-N	1	1	270.307	3.627	10	30		CHEEMO
N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccco2)c(F)c1	ZINC000116287990	267135725	/nfs/dbraw/zinc/13/57/25/267135725.db2.gz	GVEBPAJOCXDPAP-HNNXBMFYSA-N	1	1	270.307	3.627	10	30		CHEEMO
Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C#N)cc1F	ZINC000120926125	330393266	/nfs/dbraw/zinc/39/32/66/330393266.db2.gz	NFNXVOHRICSQDT-ZDUSSCGKSA-N	1	1	268.335	3.857	10	30		CHEEMO
CCCCCCCCC[N@@H+](CC(=O)OC)C(C)C	ZINC000110464265	186296921	/nfs/dbraw/zinc/29/69/21/186296921.db2.gz	QPOMWGDLTYWCOF-UHFFFAOYSA-N	1	1	257.418	3.620	10	30		CHEEMO
CC(=NNc1cc[nH+]cc1)c1ccc(Br)cc1	ZINC000006317204	170190673	/nfs/dbraw/zinc/19/06/73/170190673.db2.gz	CBEWYGXWDLTPTR-MHWRWJLKSA-N	1	1	290.164	3.680	10	30		CHEEMO
CN(C)c1ccc(C=[NH+]Nc2cccc(Cl)c2)cc1	ZINC000006368577	170195381	/nfs/dbraw/zinc/19/53/81/170195381.db2.gz	QTSKDDMDGNPGFW-GZTJUZNOSA-N	1	1	273.767	3.852	10	30		CHEEMO
[NH2+]=C1NC(=Nc2cccc(Cl)c2Cl)c2ccccc21	ZINC000040802602	174408829	/nfs/dbraw/zinc/40/88/29/174408829.db2.gz	JSYANCQTKYFDFK-UHFFFAOYSA-N	1	1	290.153	3.791	10	30		CHEEMO
Clc1cccc(C#CC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1	ZINC000121828535	263298583	/nfs/dbraw/zinc/29/85/83/263298583.db2.gz	DAYNLRWXKFFKME-QGZVFWFLSA-N	1	1	299.805	3.642	10	30		CHEEMO
Clc1cccc(C#CC[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1	ZINC000121828535	263298584	/nfs/dbraw/zinc/29/85/84/263298584.db2.gz	DAYNLRWXKFFKME-QGZVFWFLSA-N	1	1	299.805	3.642	10	30		CHEEMO
C=CCOc1cccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1	ZINC000126720852	264215245	/nfs/dbraw/zinc/21/52/45/264215245.db2.gz	FUJJJMJXYGEHRF-GOSISDBHSA-N	1	1	297.402	3.702	10	30		CHEEMO
C[C@H](Nc1ccc2c(c1)C[N@H+](C)C2)c1cccc(C#N)c1	ZINC000182908034	329246039	/nfs/dbraw/zinc/24/60/39/329246039.db2.gz	DHPQJBXFYQCNKH-ZDUSSCGKSA-N	1	1	277.371	3.677	10	30		CHEEMO
C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1ccc(OC(F)(F)F)cc1	ZINC000061890948	333474807	/nfs/dbraw/zinc/47/48/07/333474807.db2.gz	WDUJBPJTWBHHIC-SUHUHFCYSA-N	1	1	298.308	3.928	10	30		CHEEMO
CC(C)[N@@H+](C)CCCCNc1cc(Cl)ccc1C#N	ZINC000062785539	519616466	/nfs/dbraw/zinc/61/64/66/519616466.db2.gz	FQBVQILNAAMTCS-UHFFFAOYSA-N	1	1	279.815	3.744	10	30		CHEEMO
CN(C)/C=[NH+]/c1ccc(Cl)cc1C(=O)c1ccccc1	ZINC000100256564	230391830	/nfs/dbraw/zinc/39/18/30/230391830.db2.gz	IMDBCUZFBKBACV-WOJGMQOQSA-N	1	1	286.762	3.792	10	30		CHEEMO
N#Cc1ccc(OCC[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc1	ZINC000035174450	172027739	/nfs/dbraw/zinc/02/77/39/172027739.db2.gz	YSWJASJXHCMWRK-AEFFLSMTSA-N	1	1	284.403	3.592	10	30		CHEEMO
Clc1ccc(C#CC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1	ZINC000177172178	329180674	/nfs/dbraw/zinc/18/06/74/329180674.db2.gz	DGSHSEYYKRIFTR-KRWDZBQOSA-N	1	1	299.805	3.642	10	30		CHEEMO
Clc1ccc(C#CC[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1	ZINC000177172178	329180676	/nfs/dbraw/zinc/18/06/76/329180676.db2.gz	DGSHSEYYKRIFTR-KRWDZBQOSA-N	1	1	299.805	3.642	10	30		CHEEMO
Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C#N)cc1F	ZINC000120925980	330393282	/nfs/dbraw/zinc/39/32/82/330393282.db2.gz	NFNXVOHRICSQDT-CYBMUJFWSA-N	1	1	268.335	3.857	10	30		CHEEMO
CC(C)[C@@H]([NH2+]Cc1cccnc1C#N)c1cccs1	ZINC000061658411	519799206	/nfs/dbraw/zinc/79/92/06/519799206.db2.gz	OLILIWRWLVOHKE-OAHLLOKOSA-N	1	1	271.389	3.502	10	30		CHEEMO
N#Cc1cccc(OCCC[N@H+]2CCC[C@H]2c2ccco2)c1	ZINC000156420117	526725908	/nfs/dbraw/zinc/72/59/08/526725908.db2.gz	BDFBRFWRIOUCQE-KRWDZBQOSA-N	1	1	296.370	3.757	10	30		CHEEMO
N#Cc1cccc(OCCC[N@H+]2CCC[C@@H]2c2ccco2)c1	ZINC000156419997	526725956	/nfs/dbraw/zinc/72/59/56/526725956.db2.gz	BDFBRFWRIOUCQE-QGZVFWFLSA-N	1	1	296.370	3.757	10	30		CHEEMO
C=CC[N@H+](Cc1ccco1)Cc1ccc2c(c1)OCCCO2	ZINC000055310586	566869672	/nfs/dbraw/zinc/86/96/72/566869672.db2.gz	GAQLEHZBTMJULB-UHFFFAOYSA-N	1	1	299.370	3.629	10	30		CHEEMO
C=CC[N@@H+](Cc1ccco1)Cc1ccc2c(c1)OCCCO2	ZINC000055310586	566869673	/nfs/dbraw/zinc/86/96/73/566869673.db2.gz	GAQLEHZBTMJULB-UHFFFAOYSA-N	1	1	299.370	3.629	10	30		CHEEMO
CC(C)/C=[NH+]/C(C)(C)CN1[C@@H](C(C)C)OCC1(C)C	ZINC000019367750	567877923	/nfs/dbraw/zinc/87/79/23/567877923.db2.gz	JAQBVFDRAFMCAM-IREQLNLFSA-N	1	1	268.445	3.585	10	30		CHEEMO
CC(C)/C=N/C(C)(C)C[N@@H+]1[C@@H](C(C)C)OCC1(C)C	ZINC000019367750	567877925	/nfs/dbraw/zinc/87/79/25/567877925.db2.gz	JAQBVFDRAFMCAM-IREQLNLFSA-N	1	1	268.445	3.585	10	30		CHEEMO
CC(C)/C=N/C(C)(C)C[N@H+]1[C@@H](C(C)C)OCC1(C)C	ZINC000019367750	567877926	/nfs/dbraw/zinc/87/79/26/567877926.db2.gz	JAQBVFDRAFMCAM-IREQLNLFSA-N	1	1	268.445	3.585	10	30		CHEEMO
O=[N+]([O-])c1ccc(/C=[NH+]\[C@@H]2C[C@H]2c2ccccc2)cc1	ZINC000222330397	570312564	/nfs/dbraw/zinc/31/25/64/570312564.db2.gz	GOIHYSQQEDOKCD-GUNNMUBUSA-N	1	1	266.300	3.570	10	30		CHEEMO
C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc(C#N)cc1F	ZINC000302032608	261345954	/nfs/dbraw/zinc/34/59/54/261345954.db2.gz	SOOSMCDQEIWFJT-AWEZNQCLSA-N	1	1	297.377	3.630	10	30		CHEEMO
C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(F)c(Cl)c1	ZINC000112535054	327286256	/nfs/dbraw/zinc/28/62/56/327286256.db2.gz	ZDPWKVLETJTWIA-QWRGUYRKSA-N	1	1	279.746	3.573	10	30		CHEEMO
Cc1csc([C@@H]2CCC[N@@H+](CCCC(C)(C)C#N)C2)n1	ZINC000174838358	329163969	/nfs/dbraw/zinc/16/39/69/329163969.db2.gz	QSRYOTHQVFTNRI-CQSZACIVSA-N	1	1	291.464	3.961	10	30		CHEEMO
Cc1nc([C@@H]2CCC[N@H+]2CC(C)(C)CCC#N)cs1	ZINC000189939371	329390487	/nfs/dbraw/zinc/39/04/87/329390487.db2.gz	JMGGRZUWBQTAQO-AWEZNQCLSA-N	1	1	277.437	3.918	10	30		CHEEMO
C=CCOCC[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl	ZINC000301763181	332858823	/nfs/dbraw/zinc/85/88/23/332858823.db2.gz	WALROQXDNKCKDV-VIFPVBQESA-N	1	1	292.181	3.986	10	30		CHEEMO
Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H](C)C#N	ZINC000054181442	526660577	/nfs/dbraw/zinc/66/05/77/526660577.db2.gz	BYWRRUXKFLNJSN-ZJUUUORDSA-N	1	1	265.426	3.559	10	30		CHEEMO
CCC[N@@H+](CCCF)[C@H]1CCC2=C(CCCC2=O)C1	ZINC000027640666	171526041	/nfs/dbraw/zinc/52/60/41/171526041.db2.gz	NPIYYZMVYLRLON-AWEZNQCLSA-N	1	1	267.388	3.660	10	30		CHEEMO
C[C@H](Cc1cccs1)[NH2+][C@@H](CC#N)c1ccccc1	ZINC000071269965	176103299	/nfs/dbraw/zinc/10/32/99/176103299.db2.gz	OZSNWRZJHCDJJB-CJNGLKHVSA-N	1	1	270.401	3.924	10	30		CHEEMO
CC1(C)CO[C@H](c2ccccc2)C[N@H+]1CCCCC#N	ZINC000066896648	260249736	/nfs/dbraw/zinc/24/97/36/260249736.db2.gz	ITRDEVCMLCJZNA-INIZCTEOSA-N	1	1	272.392	3.532	10	30		CHEEMO
N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cc(C(F)(F)F)c1	ZINC000159246374	262285156	/nfs/dbraw/zinc/28/51/56/262285156.db2.gz	QREUPFFTOPAPRL-MFKMUULPSA-N	1	1	286.272	3.626	10	30		CHEEMO
C=CCC[C@H]([NH2+]Cc1nnc(C(C)C)n1C)c1ccccc1	ZINC000180048156	264394931	/nfs/dbraw/zinc/39/49/31/264394931.db2.gz	CRHQRNORDSUEGX-INIZCTEOSA-N	1	1	298.434	3.736	10	30		CHEEMO
C[C@H](Nc1ccc2c(c1)C[N@H+](C)C2)c1ccc(C#N)cc1	ZINC000173989781	329152109	/nfs/dbraw/zinc/15/21/09/329152109.db2.gz	CZACGRPESPHFSS-ZDUSSCGKSA-N	1	1	277.371	3.677	10	30		CHEEMO
Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCCC(C)(C)C#N	ZINC000174851066	329163932	/nfs/dbraw/zinc/16/39/32/329163932.db2.gz	UNSLSDVUBKMVLQ-OAHLLOKOSA-N	1	1	288.439	3.504	10	30		CHEEMO
C[C@@H](Nc1ccc2c(c1)C[N@H+](C)C2)c1cccc(C#N)c1	ZINC000182908055	329246054	/nfs/dbraw/zinc/24/60/54/329246054.db2.gz	DHPQJBXFYQCNKH-CYBMUJFWSA-N	1	1	277.371	3.677	10	30		CHEEMO
C=CCCCCC[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C	ZINC000193338643	333248398	/nfs/dbraw/zinc/24/83/98/333248398.db2.gz	MQBZKTORPIGPQM-MRXNPFEDSA-N	1	1	275.440	3.920	10	30		CHEEMO
N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1	ZINC000061891049	526501360	/nfs/dbraw/zinc/50/13/60/526501360.db2.gz	PUMWEHLKSGQZJH-GXFFZTMASA-N	1	1	269.175	3.775	10	30		CHEEMO
O=[N+]([O-])c1ccc(/C=[NH+]\[C@H]2C[C@H]2c2ccccc2)cc1	ZINC000103767754	566905910	/nfs/dbraw/zinc/90/59/10/566905910.db2.gz	GOIHYSQQEDOKCD-SJCIKDTPSA-N	1	1	266.300	3.570	10	30		CHEEMO
C[C@](C#N)(CCc1ccccc1)[NH+]1CCCCCC1	ZINC000038086224	174096796	/nfs/dbraw/zinc/09/67/96/174096796.db2.gz	RGGXSKYRALQHCA-QGZVFWFLSA-N	1	1	256.393	3.777	10	30		CHEEMO
N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)c2cccnc12	ZINC000166444962	331307147	/nfs/dbraw/zinc/30/71/47/331307147.db2.gz	KZPONJYKIGCHNF-NHYWBVRUSA-N	1	1	285.778	3.670	10	30		CHEEMO
C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1ccc(F)c(Cl)c1	ZINC000251698109	334367455	/nfs/dbraw/zinc/36/74/55/334367455.db2.gz	MZNIOWDAROPHCO-NURSFMCSSA-N	1	1	266.747	3.822	10	30		CHEEMO
CCC(C=O)(CC)C[N@H+]1CCC[C@H]2CCCC[C@@H]21	ZINC000051177320	521381574	/nfs/dbraw/zinc/38/15/74/521381574.db2.gz	GYVLVFJFZRILJV-CABCVRRESA-N	1	1	251.414	3.646	10	30		CHEEMO
O=[N+]([O-])c1ccc(/C=[NH+]\[C@H]2C[C@@H]2c2ccccc2)cc1	ZINC000103767759	566906408	/nfs/dbraw/zinc/90/64/08/566906408.db2.gz	GOIHYSQQEDOKCD-QIESAVBPSA-N	1	1	266.300	3.570	10	30		CHEEMO
CCCCCCC[C@H](CN)[N@@H+](CC1CC1)C(C)C	ZINC000103423897	185838842	/nfs/dbraw/zinc/83/88/42/185838842.db2.gz	HEFUKVWBPPCRTO-MRXNPFEDSA-N	1	1	254.462	3.795	10	30		CHEEMO
C=C(C)C[C@@H]1CC[C@H](C)[N@@H+]1[C@H](CO)c1ccccc1	ZINC000005723368	170133146	/nfs/dbraw/zinc/13/31/46/170133146.db2.gz	USPZNKIXCDTNCP-BHYGNILZSA-N	1	1	259.393	3.539	10	30		CHEEMO
Cc1ccccc1N[NH+]=Cc1ccc(N(C)C)cc1	ZINC000007892104	170306496	/nfs/dbraw/zinc/30/64/96/170306496.db2.gz	MNXGWYCPGBHMBI-SFQUDFHCSA-N	1	1	253.349	3.507	10	30		CHEEMO
CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)o2)c2ccccc2O1	ZINC000153033478	261072280	/nfs/dbraw/zinc/07/22/80/261072280.db2.gz	ZOPLCSRTVIUAAE-OAHLLOKOSA-N	1	1	282.343	3.543	10	30		CHEEMO
C=CCCCCC[N@@H+]1CCO[C@@H](c2nc(C)cs2)C1	ZINC000193324289	264633689	/nfs/dbraw/zinc/63/36/89/264633689.db2.gz	KIIFUENGYDBJLV-CQSZACIVSA-N	1	1	280.437	3.571	10	30		CHEEMO
C=CCCCCC[N@H+]1CCO[C@@H](c2nc(C)cs2)C1	ZINC000193324289	264633693	/nfs/dbraw/zinc/63/36/93/264633693.db2.gz	KIIFUENGYDBJLV-CQSZACIVSA-N	1	1	280.437	3.571	10	30		CHEEMO
CCCCCCCC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C	ZINC000177158876	329181537	/nfs/dbraw/zinc/18/15/37/329181537.db2.gz	CBZDOCDVOSENFK-INIZCTEOSA-N	1	1	291.439	3.543	10	30		CHEEMO
N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)c2cccnc12	ZINC000166444845	331307216	/nfs/dbraw/zinc/30/72/16/331307216.db2.gz	KZPONJYKIGCHNF-XHDPSFHLSA-N	1	1	285.778	3.670	10	30		CHEEMO
CCO[C@@H]1C[C@H]([N@@H+](C)CCCC(C)(C)C#N)C12CCCC2	ZINC000174872819	333009706	/nfs/dbraw/zinc/00/97/06/333009706.db2.gz	LEYUTKJVHMRFJJ-JKSUJKDBSA-N	1	1	292.467	3.986	10	30		CHEEMO
CC(C)[C@H]([NH2+]Cc1cccnc1C#N)c1cccs1	ZINC000061658410	519821139	/nfs/dbraw/zinc/82/11/39/519821139.db2.gz	OLILIWRWLVOHKE-HNNXBMFYSA-N	1	1	271.389	3.502	10	30		CHEEMO
C=CC[N@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(O)c1-3	ZINC000013860706	581094258	/nfs/dbraw/zinc/09/42/58/581094258.db2.gz	AUVXRDCLWMODQH-INIZCTEOSA-N	1	1	277.367	3.701	10	30		CHEEMO
CC[C@@H]1CC[C@@H](C#N)[C@H]([N@H+](C)Cc2ccsc2)C1	ZINC000035719191	172372828	/nfs/dbraw/zinc/37/28/28/172372828.db2.gz	HSPZSQVKQLEQQK-VHDGCEQUSA-N	1	1	262.422	3.898	10	30		CHEEMO
CC[C@@H]1CC[C@@H](C#N)[C@H]([N@@H+](C)Cc2ccsc2)C1	ZINC000035719191	172372830	/nfs/dbraw/zinc/37/28/30/172372830.db2.gz	HSPZSQVKQLEQQK-VHDGCEQUSA-N	1	1	262.422	3.898	10	30		CHEEMO
N#Cc1c(C[N@@H+]2CCC[C@@H]2c2ccco2)cn2ccccc12	ZINC000116298242	267138099	/nfs/dbraw/zinc/13/80/99/267138099.db2.gz	HYECQLIDXVZBLD-QGZVFWFLSA-N	1	1	291.354	3.741	10	30		CHEEMO
N#Cc1c(C[N@H+]2CCC[C@@H]2c2ccco2)cn2ccccc12	ZINC000116298242	267138101	/nfs/dbraw/zinc/13/81/01/267138101.db2.gz	HYECQLIDXVZBLD-QGZVFWFLSA-N	1	1	291.354	3.741	10	30		CHEEMO
C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(F)c(Cl)c1	ZINC000112535057	327286385	/nfs/dbraw/zinc/28/63/85/327286385.db2.gz	ZDPWKVLETJTWIA-MNOVXSKESA-N	1	1	279.746	3.573	10	30		CHEEMO
CCCCCCCC[N@@H+]1C[C@@H](OC)C[C@@H]1c1nc(C)no1	ZINC000189338614	329379813	/nfs/dbraw/zinc/37/98/13/329379813.db2.gz	IYIFXWLXEMERMK-LSDHHAIUSA-N	1	1	295.427	3.500	10	30		CHEEMO
CCCCCCCC[N@H+]1C[C@@H](OC)C[C@@H]1c1nc(C)no1	ZINC000189338614	329379814	/nfs/dbraw/zinc/37/98/14/329379814.db2.gz	IYIFXWLXEMERMK-LSDHHAIUSA-N	1	1	295.427	3.500	10	30		CHEEMO
C=CCC[C@@H](O)C[N@H+](Cc1ccc(C)o1)Cc1ccccc1	ZINC000036097675	566994198	/nfs/dbraw/zinc/99/41/98/566994198.db2.gz	IXQKHHLKYNFDSL-GOSISDBHSA-N	1	1	299.414	3.917	10	30		CHEEMO
CCCCCCCC[N@H+]1C[C@@H](C)NC[C@@H]1C(C)C	ZINC000106168016	186104423	/nfs/dbraw/zinc/10/44/23/186104423.db2.gz	MWBXUPXTLGRBIN-HZPDHXFCSA-N	1	1	254.462	3.665	10	30		CHEEMO
Cc1oc2ccccc2c1C[NH2+][C@@H]1CCC[C@@H]1C#N	ZINC000123308994	268035323	/nfs/dbraw/zinc/03/53/23/268035323.db2.gz	KDVAFLBIECCIFY-IUODEOHRSA-N	1	1	254.333	3.523	10	30		CHEEMO
CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1c1nccs1	ZINC000377933381	329035322	/nfs/dbraw/zinc/03/53/22/329035322.db2.gz	UWMAWZUHASMSRB-GFCCVEGCSA-N	1	1	263.410	3.610	10	30		CHEEMO
CC(C)(C#N)CCC[N@H+]1CCC[C@H](c2nccs2)C1	ZINC000174838436	329163886	/nfs/dbraw/zinc/16/38/86/329163886.db2.gz	WESTYKZBHUYDAY-ZDUSSCGKSA-N	1	1	277.437	3.652	10	30		CHEEMO
C=CCCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O	ZINC000236542056	333373593	/nfs/dbraw/zinc/37/35/93/333373593.db2.gz	UEJILYPPLWLRBZ-BBWFWOEESA-N	1	1	265.441	3.748	10	30		CHEEMO
N#C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1Cl	ZINC000054823488	526498852	/nfs/dbraw/zinc/49/88/52/526498852.db2.gz	YWYCZCFFTOSQNM-WFASDCNBSA-N	1	1	262.784	3.902	10	30		CHEEMO
C=CCC[C@H](O)C[N@H+](Cc1ccc(C)o1)Cc1ccccc1	ZINC000036097677	566994472	/nfs/dbraw/zinc/99/44/72/566994472.db2.gz	IXQKHHLKYNFDSL-SFHVURJKSA-N	1	1	299.414	3.917	10	30		CHEEMO
CCCCCCC[C@@](C)([NH2+]C(C)C)C(=O)OCC	ZINC000102941832	185799601	/nfs/dbraw/zinc/79/96/01/185799601.db2.gz	DRKDPCJLSLQDBR-OAHLLOKOSA-N	1	1	257.418	3.667	10	30		CHEEMO
C[NH+](C)CC#Cc1ccc(C(=O)/C=C\c2ccccc2)s1	ZINC000033376390	171787530	/nfs/dbraw/zinc/78/75/30/171787530.db2.gz	SFGKRLRWZHCYKN-BENRWUELSA-N	1	1	295.407	3.557	10	30		CHEEMO
CC[C@H](C)[N@H+](Cc1ccncc1)Cc1ccccc1C#N	ZINC000055226396	175574299	/nfs/dbraw/zinc/57/42/99/175574299.db2.gz	QOFJYDKGHHZFQG-HNNXBMFYSA-N	1	1	279.387	3.754	10	30		CHEEMO
CC[C@H](C)[N@@H+](Cc1ccncc1)Cc1ccccc1C#N	ZINC000055226396	175574301	/nfs/dbraw/zinc/57/43/01/175574301.db2.gz	QOFJYDKGHHZFQG-HNNXBMFYSA-N	1	1	279.387	3.754	10	30		CHEEMO
C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1ccc(Br)cc1	ZINC000054826944	330242619	/nfs/dbraw/zinc/24/26/19/330242619.db2.gz	VBBNSVRUTYBSMG-SUHUHFCYSA-N	1	1	293.208	3.792	10	30		CHEEMO
CCO[C@@H]1C[C@@H]([N@@H+](C)CCCC(C)(C)C#N)C12CCCC2	ZINC000174872841	333009702	/nfs/dbraw/zinc/00/97/02/333009702.db2.gz	LEYUTKJVHMRFJJ-HZPDHXFCSA-N	1	1	292.467	3.986	10	30		CHEEMO
COc1ccc2ccccc2c1C[NH2+][C@H]1CCC[C@H]1C#N	ZINC000061891861	333475103	/nfs/dbraw/zinc/47/51/03/333475103.db2.gz	DTGHCLHYINVDTO-YOEHRIQHSA-N	1	1	280.371	3.630	10	30		CHEEMO
C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1ccc(OC(F)(F)F)cc1	ZINC000251792561	334369864	/nfs/dbraw/zinc/36/98/64/334369864.db2.gz	WDUJBPJTWBHHIC-JKOKRWQUSA-N	1	1	298.308	3.928	10	30		CHEEMO
N#C[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1Cl	ZINC000054823487	526499575	/nfs/dbraw/zinc/49/95/75/526499575.db2.gz	YWYCZCFFTOSQNM-SWLSCSKDSA-N	1	1	262.784	3.902	10	30		CHEEMO
CCCCCCCC[N@H+]1C[C@H](C)NC[C@@H]1C(C)C	ZINC000106168012	186103608	/nfs/dbraw/zinc/10/36/08/186103608.db2.gz	MWBXUPXTLGRBIN-JKSUJKDBSA-N	1	1	254.462	3.665	10	30		CHEEMO
C=CC[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1	ZINC000127672886	264262988	/nfs/dbraw/zinc/26/29/88/264262988.db2.gz	KWYKASWZUTWZGQ-GFCCVEGCSA-N	1	1	250.411	3.632	10	30		CHEEMO
C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1cccc(Br)c1	ZINC000054825821	330242594	/nfs/dbraw/zinc/24/25/94/330242594.db2.gz	HSTXIUVZOUPTSJ-SUHUHFCYSA-N	1	1	293.208	3.792	10	30		CHEEMO
C=CCC1(CC=C)CCCC[N@H+]1Cc1ccncc1	ZINC000055568640	518689864	/nfs/dbraw/zinc/68/98/64/518689864.db2.gz	BQSHSZAYHBVAQH-UHFFFAOYSA-N	1	1	256.393	3.959	10	30		CHEEMO
CCCCCCC[C@H](CN)[N@@H+](CCCC)C1CC1	ZINC000103967332	185869744	/nfs/dbraw/zinc/86/97/44/185869744.db2.gz	ICLHHYHQNOVNOW-MRXNPFEDSA-N	1	1	254.462	3.939	10	30		CHEEMO
CCCCCCC[C@H](C[NH3+])N(CCCC)C1CC1	ZINC000103967332	185869745	/nfs/dbraw/zinc/86/97/45/185869745.db2.gz	ICLHHYHQNOVNOW-MRXNPFEDSA-N	1	1	254.462	3.939	10	30		CHEEMO
C[C@@H](Cc1cccs1)[NH2+][C@H](CC#N)c1ccccc1	ZINC000071269967	176103584	/nfs/dbraw/zinc/10/35/84/176103584.db2.gz	OZSNWRZJHCDJJB-XJKSGUPXSA-N	1	1	270.401	3.924	10	30		CHEEMO
C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(F)c(Cl)c1	ZINC000112535060	327286302	/nfs/dbraw/zinc/28/63/02/327286302.db2.gz	ZDPWKVLETJTWIA-GHMZBOCLSA-N	1	1	279.746	3.573	10	30		CHEEMO
C=CCCCCC[N@@H+]1CCc2c(nc(C(C)C)n2C)C1	ZINC000193339672	333248272	/nfs/dbraw/zinc/24/82/72/333248272.db2.gz	YCEIYXGSKDNMQY-UHFFFAOYSA-N	1	1	275.440	3.648	10	30		CHEEMO
Cn1cc(C[N@H+]2CCC[C@@H]2/C=C/c2cccs2)cc1C#N	ZINC000365256832	1119792104	/nfs/dbraw/zinc/79/21/04/1119792104.db2.gz	OZYGFLKMTVXNFV-LQYUOIDQSA-N	1	1	297.427	3.636	10	30		CHEEMO
CCCCCCC[C@H]([NH2+][C@H](C)CC)C(=O)OCC	ZINC000103112177	185807951	/nfs/dbraw/zinc/80/79/51/185807951.db2.gz	FEWNKFMGYMAEOK-KGLIPLIRSA-N	1	1	257.418	3.667	10	30		CHEEMO
CCC[C@](C)(C=O)C[N@@H+](C)C1CCC(CC)CC1	ZINC000104011665	185881525	/nfs/dbraw/zinc/88/15/25/185881525.db2.gz	RAUVVDDQJYZEPP-GPANFISMSA-N	1	1	253.430	3.892	10	30		CHEEMO
C=CCC[C@@H]([NH2+]Cc1nnc(C(C)C)n1C)c1ccccc1	ZINC000180048172	264394646	/nfs/dbraw/zinc/39/46/46/264394646.db2.gz	CRHQRNORDSUEGX-MRXNPFEDSA-N	1	1	298.434	3.736	10	30		CHEEMO
C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1ccc(Br)cc1	ZINC000160055623	330857650	/nfs/dbraw/zinc/85/76/50/330857650.db2.gz	VBBNSVRUTYBSMG-JKOKRWQUSA-N	1	1	293.208	3.792	10	30		CHEEMO
C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1ccc(OC(F)F)cc1	ZINC000061891718	333475113	/nfs/dbraw/zinc/47/51/13/333475113.db2.gz	CNOOBYHGZFBUEU-ZKYQVNSYSA-N	1	1	280.318	3.631	10	30		CHEEMO
C=C(C)CN(CC)Cc1occc1C[NH2+]C(C)(C)C	ZINC000052423304	518600148	/nfs/dbraw/zinc/60/01/48/518600148.db2.gz	UBOQCVGEKJKTDQ-UHFFFAOYSA-N	1	1	264.413	3.566	10	30		CHEEMO
C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc(F)cc1C#N	ZINC000302025284	261345896	/nfs/dbraw/zinc/34/58/96/261345896.db2.gz	PSJXCGAZLPAYCI-AWEZNQCLSA-N	1	1	297.377	3.630	10	30		CHEEMO
Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCCC(C)(C)C#N	ZINC000174851057	329163926	/nfs/dbraw/zinc/16/39/26/329163926.db2.gz	UNSLSDVUBKMVLQ-HNNXBMFYSA-N	1	1	288.439	3.504	10	30		CHEEMO
N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(C(F)(F)F)c1	ZINC000159246259	330845365	/nfs/dbraw/zinc/84/53/65/330845365.db2.gz	QREUPFFTOPAPRL-ZWNOBZJWSA-N	1	1	286.272	3.626	10	30		CHEEMO
CCc1oc2ccccc2c1C[NH2+][C@H]1CCC[C@H]1C#N	ZINC000061892041	333475047	/nfs/dbraw/zinc/47/50/47/333475047.db2.gz	QONMHYNXTQKNBZ-WFASDCNBSA-N	1	1	268.360	3.777	10	30		CHEEMO
C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1ccc(F)c(Cl)c1	ZINC000251698106	334367427	/nfs/dbraw/zinc/36/74/27/334367427.db2.gz	MZNIOWDAROPHCO-CHIMOYNISA-N	1	1	266.747	3.822	10	30		CHEEMO
N#C[C@H]1CCC[C@H]1[NH2+][C@H]1CCSc2c(F)cccc21	ZINC000061892342	526513597	/nfs/dbraw/zinc/51/35/97/526513597.db2.gz	LOJIDVWOQVFHMU-HONMWMINSA-N	1	1	276.380	3.644	10	30		CHEEMO
CC[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)C[C@H](CC)O1	ZINC000675079059	567025683	/nfs/dbraw/zinc/02/56/83/567025683.db2.gz	DVWGSPIRYKXBOV-IYBDPMFKSA-N	1	1	278.440	3.740	10	30		CHEEMO
CC(C)(C)c1cc(C[NH2+]CCC#N)cc(C(C)(C)C)c1O	ZINC000020199310	171063085	/nfs/dbraw/zinc/06/30/85/171063085.db2.gz	NIXLCRKFORYEQY-UHFFFAOYSA-N	1	1	288.435	3.990	10	30		CHEEMO
C=C[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2c1cc2ccccc2[nH]1	ZINC000022001118	171348365	/nfs/dbraw/zinc/34/83/65/171348365.db2.gz	OOWNZMAMEIOHSE-OGHNNQOOSA-N	1	1	252.361	3.737	10	30		CHEEMO
CCN(C[C@H](C)C#N)c1cc(C)[nH+]c2ccccc21	ZINC000042449887	174742895	/nfs/dbraw/zinc/74/28/95/174742895.db2.gz	HATCRZIEMIYAES-GFCCVEGCSA-N	1	1	253.349	3.529	10	30		CHEEMO
CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)o2)c2ccccc2O1	ZINC000153033367	261072304	/nfs/dbraw/zinc/07/23/04/261072304.db2.gz	ZOPLCSRTVIUAAE-HNNXBMFYSA-N	1	1	282.343	3.543	10	30		CHEEMO
CC#CCC[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1	ZINC000155785020	327396511	/nfs/dbraw/zinc/39/65/11/327396511.db2.gz	ZYRMVGHCRCFSFZ-AWEZNQCLSA-N	1	1	276.449	3.859	10	30		CHEEMO
Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@H](C)C#N	ZINC000054181439	526661405	/nfs/dbraw/zinc/66/14/05/526661405.db2.gz	BYWRRUXKFLNJSN-NXEZZACHSA-N	1	1	265.426	3.559	10	30		CHEEMO
CCCCCCC[N@H+]1C[C@@H](CC)NC[C@@H]1C(C)C	ZINC000106169309	186103651	/nfs/dbraw/zinc/10/36/51/186103651.db2.gz	YGRIBZKITYTEOA-HZPDHXFCSA-N	1	1	254.462	3.665	10	30		CHEEMO
CC(C)/C=[NH+]/C(C)(C)CN1[C@H](C(C)C)OCC1(C)C	ZINC000107625367	186181571	/nfs/dbraw/zinc/18/15/71/186181571.db2.gz	JAQBVFDRAFMCAM-VEJKBTLKSA-N	1	1	268.445	3.585	10	30		CHEEMO
CC(C)/C=N/C(C)(C)C[N@@H+]1[C@H](C(C)C)OCC1(C)C	ZINC000107625367	186181573	/nfs/dbraw/zinc/18/15/73/186181573.db2.gz	JAQBVFDRAFMCAM-VEJKBTLKSA-N	1	1	268.445	3.585	10	30		CHEEMO
CC(C)/C=N/C(C)(C)C[N@H+]1[C@H](C(C)C)OCC1(C)C	ZINC000107625367	186181575	/nfs/dbraw/zinc/18/15/75/186181575.db2.gz	JAQBVFDRAFMCAM-VEJKBTLKSA-N	1	1	268.445	3.585	10	30		CHEEMO
CN(C)c1ccc(C=[NH+]Nc2ccc(Cl)cc2)cc1	ZINC000006319879	170191160	/nfs/dbraw/zinc/19/11/60/170191160.db2.gz	SHDKHIBCWANLEN-GZTJUZNOSA-N	1	1	273.767	3.852	10	30		CHEEMO
CC[C@@H]1CC[C@@H](C#N)[C@H]([N@H+](C)Cc2cccs2)C1	ZINC000035717355	172371720	/nfs/dbraw/zinc/37/17/20/172371720.db2.gz	PIGNDEAUEQRSOM-VNHYZAJKSA-N	1	1	262.422	3.898	10	30		CHEEMO
CC[C@@H]1CC[C@@H](C#N)[C@H]([N@@H+](C)Cc2cccs2)C1	ZINC000035717355	172371722	/nfs/dbraw/zinc/37/17/22/172371722.db2.gz	PIGNDEAUEQRSOM-VNHYZAJKSA-N	1	1	262.422	3.898	10	30		CHEEMO
N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccco2)c(F)c1	ZINC000116287993	267136872	/nfs/dbraw/zinc/13/68/72/267136872.db2.gz	GVEBPAJOCXDPAP-OAHLLOKOSA-N	1	1	270.307	3.627	10	30		CHEEMO
N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccco2)c(F)c1	ZINC000116287993	267136874	/nfs/dbraw/zinc/13/68/74/267136874.db2.gz	GVEBPAJOCXDPAP-OAHLLOKOSA-N	1	1	270.307	3.627	10	30		CHEEMO
C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1ccc(F)c(Cl)c1	ZINC000061891740	333474904	/nfs/dbraw/zinc/47/49/04/333474904.db2.gz	MZNIOWDAROPHCO-PXWWUCIGSA-N	1	1	266.747	3.822	10	30		CHEEMO
C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1cc2ccccc2o1	ZINC000251693941	334367334	/nfs/dbraw/zinc/36/73/34/334367334.db2.gz	LVFXADJJZCHJKA-FPMFFAJLSA-N	1	1	254.333	3.776	10	30		CHEEMO
C=CC[N@H+]1CCc2ccccc2[C@H](c2ccccc2)C1	ZINC000021983396	171344666	/nfs/dbraw/zinc/34/46/66/171344666.db2.gz	SOOKFCWCHCJXHV-IBGZPJMESA-N	1	1	263.384	3.863	10	30		CHEEMO
N#CCCC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1	ZINC000114481516	266296866	/nfs/dbraw/zinc/29/68/66/266296866.db2.gz	LFDYKAXMYDCTOT-MRXNPFEDSA-N	1	1	294.402	3.560	10	30		CHEEMO
C=CCOCC[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl	ZINC000301763179	332858688	/nfs/dbraw/zinc/85/86/88/332858688.db2.gz	WALROQXDNKCKDV-SECBINFHSA-N	1	1	292.181	3.986	10	30		CHEEMO
N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1	ZINC000163441630	331039295	/nfs/dbraw/zinc/03/92/95/331039295.db2.gz	GBNXHDPSOGLNAJ-GWCFXTLKSA-N	1	1	286.272	3.626	10	30		CHEEMO
C=CCCCCC[N@@H+]1CCC[C@H](n2cc(C)cn2)C1	ZINC000193339019	333248407	/nfs/dbraw/zinc/24/84/07/333248407.db2.gz	JIXMPERFYDYOBV-INIZCTEOSA-N	1	1	261.413	3.575	10	30		CHEEMO
CCCCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)cc1	ZINC000061891695	333475013	/nfs/dbraw/zinc/47/50/13/333475013.db2.gz	AQSFPBADFMQSMY-WBVHZDCISA-N	1	1	272.392	3.647	10	30		CHEEMO
CC[C@@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1nccs1	ZINC000086038546	260206945	/nfs/dbraw/zinc/20/69/45/260206945.db2.gz	AKOXLGOMZWDAOI-ISXOHVOVSA-N	1	1	297.427	3.808	10	30		CHEEMO
C[C@H]([NH2+]CCC#N)c1ccc(-c2ccccc2)cc1	ZINC000020199599	262232618	/nfs/dbraw/zinc/23/26/18/262232618.db2.gz	AQTNXWHXRAOBNU-AWEZNQCLSA-N	1	1	250.345	3.918	10	30		CHEEMO
Clc1cccc(C#CC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1	ZINC000121828693	263298239	/nfs/dbraw/zinc/29/82/39/263298239.db2.gz	DAYNLRWXKFFKME-KRWDZBQOSA-N	1	1	299.805	3.642	10	30		CHEEMO
Clc1cccc(C#CC[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1	ZINC000121828693	263298242	/nfs/dbraw/zinc/29/82/42/263298242.db2.gz	DAYNLRWXKFFKME-KRWDZBQOSA-N	1	1	299.805	3.642	10	30		CHEEMO
N#CCCC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1	ZINC000114481517	266296843	/nfs/dbraw/zinc/29/68/43/266296843.db2.gz	LFDYKAXMYDCTOT-INIZCTEOSA-N	1	1	294.402	3.560	10	30		CHEEMO
C=CC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1	ZINC000180141892	329217918	/nfs/dbraw/zinc/21/79/18/329217918.db2.gz	PQLUOSOQHOMLRS-UXDRXVOSSA-N	1	1	284.447	3.736	10	30		CHEEMO
CCO[C@H]1C[C@@H]([N@@H+](C)CCCC(C)(C)C#N)C12CCCC2	ZINC000174872852	333009510	/nfs/dbraw/zinc/00/95/10/333009510.db2.gz	LEYUTKJVHMRFJJ-CVEARBPZSA-N	1	1	292.467	3.986	10	30		CHEEMO
C=CCCCCC[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1	ZINC000193339011	333248307	/nfs/dbraw/zinc/24/83/07/333248307.db2.gz	JIXMPERFYDYOBV-MRXNPFEDSA-N	1	1	261.413	3.575	10	30		CHEEMO
C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1cc2ccccc2o1	ZINC000251693944	334367389	/nfs/dbraw/zinc/36/73/89/334367389.db2.gz	LVFXADJJZCHJKA-UBHSHLNASA-N	1	1	254.333	3.776	10	30		CHEEMO
N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)c2cccnc12	ZINC000166444710	331307166	/nfs/dbraw/zinc/30/71/66/331307166.db2.gz	KZPONJYKIGCHNF-ABAIWWIYSA-N	1	1	285.778	3.670	10	30		CHEEMO
N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F	ZINC000167110094	331307941	/nfs/dbraw/zinc/30/79/41/331307941.db2.gz	JOGFQLDASPEGLV-RNCFNFMXSA-N	1	1	286.272	3.626	10	30		CHEEMO
CCc1oc2ccccc2c1C[NH2+][C@H]1CCC[C@@H]1C#N	ZINC000061892039	333474981	/nfs/dbraw/zinc/47/49/81/333474981.db2.gz	QONMHYNXTQKNBZ-DOMZBBRYSA-N	1	1	268.360	3.777	10	30		CHEEMO
Cc1csc([C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)n1	ZINC000156971172	526421538	/nfs/dbraw/zinc/42/15/38/526421538.db2.gz	VBLQXVKRIVGJBG-MRXNPFEDSA-N	1	1	297.427	3.703	10	30		CHEEMO
N#C[C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1Cl	ZINC000054823485	526512159	/nfs/dbraw/zinc/51/21/59/526512159.db2.gz	YWYCZCFFTOSQNM-IUODEOHRSA-N	1	1	262.784	3.902	10	30		CHEEMO
O=[N+]([O-])c1ccc(/C=[NH+]\[C@@H]2C[C@@H]2c2ccccc2)cc1	ZINC000100479211	566904425	/nfs/dbraw/zinc/90/44/25/566904425.db2.gz	GOIHYSQQEDOKCD-QZAYQTGJSA-N	1	1	266.300	3.570	10	30		CHEEMO
N#CCCCC[N@@H+]1CCC[C@H](c2cc(F)ccc2F)C1	ZINC000191685839	1125327325	/nfs/dbraw/zinc/32/73/25/1125327325.db2.gz	ASGZFGLOQVWWFM-ZDUSSCGKSA-N	1	1	278.346	3.838	10	30		CHEEMO
C[C@@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1cccc(C#N)c1	ZINC000192941263	533509925	/nfs/dbraw/zinc/50/99/25/533509925.db2.gz	HGOZQYGOOSAXBM-BEFAXECRSA-N	1	1	293.414	3.512	10	30		CHEEMO
C=C1c2ccc(O)cc2[C@]23CCCC[C@@H]2[C@H]1[N@@H+](C)CC3	ZINC000077287238	177249275	/nfs/dbraw/zinc/24/92/75/177249275.db2.gz	GNDGFLGDUVAUMO-NJAFHUGGSA-N	1	1	269.388	3.551	10	30	in-vitro	CHEEMO
CC[C@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1nccs1	ZINC000086038542	260206445	/nfs/dbraw/zinc/20/64/45/260206445.db2.gz	AKOXLGOMZWDAOI-CKDBGZEDSA-N	1	1	297.427	3.808	10	30		CHEEMO
Fc1ccc(C#CC[N@@H+]2CCC[C@H]2c2ccco2)cc1	ZINC000120177175	267390198	/nfs/dbraw/zinc/39/01/98/267390198.db2.gz	BPFFCNWSZJCTRK-INIZCTEOSA-N	1	1	269.319	3.607	10	30		CHEEMO
Fc1ccc(C#CC[N@H+]2CCC[C@H]2c2ccco2)cc1	ZINC000120177175	267390201	/nfs/dbraw/zinc/39/02/01/267390201.db2.gz	BPFFCNWSZJCTRK-INIZCTEOSA-N	1	1	269.319	3.607	10	30		CHEEMO
N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(C(F)(F)F)c1	ZINC000159246489	330845371	/nfs/dbraw/zinc/84/53/71/330845371.db2.gz	QREUPFFTOPAPRL-GXFFZTMASA-N	1	1	286.272	3.626	10	30		CHEEMO
C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1ccc(OC(F)F)cc1	ZINC000251236134	334358538	/nfs/dbraw/zinc/35/85/38/334358538.db2.gz	CNOOBYHGZFBUEU-JKOKRWQUSA-N	1	1	280.318	3.631	10	30		CHEEMO
C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1ccc(OC(F)(F)F)cc1	ZINC000251792564	334369756	/nfs/dbraw/zinc/36/97/56/334369756.db2.gz	WDUJBPJTWBHHIC-VHRBIJSZSA-N	1	1	298.308	3.928	10	30		CHEEMO
Cc1csc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)n1	ZINC000156980514	526421733	/nfs/dbraw/zinc/42/17/33/526421733.db2.gz	HUANGJINBNHEFI-MRXNPFEDSA-N	1	1	297.427	3.703	10	30		CHEEMO
CCCCCCCC[N@H+]1C[C@H](CC)NC[C@@H]1CC	ZINC000106169112	186103977	/nfs/dbraw/zinc/10/39/77/186103977.db2.gz	DQZHXBWPIQKTDZ-HOTGVXAUSA-N	1	1	254.462	3.809	10	30		CHEEMO
CCCCCCCCN1C[C@H](CC)[NH2+]C[C@@H]1CC	ZINC000106169112	186103979	/nfs/dbraw/zinc/10/39/79/186103979.db2.gz	DQZHXBWPIQKTDZ-HOTGVXAUSA-N	1	1	254.462	3.809	10	30		CHEEMO
C=CCCCCC[N@@H+]1CCC[C@@H](n2ccnc2CC)C1	ZINC000193338717	333248422	/nfs/dbraw/zinc/24/84/22/333248422.db2.gz	DYOIFQXQMKNJRW-MRXNPFEDSA-N	1	1	275.440	3.829	10	30		CHEEMO
CC(C)c1[nH+]c2cc(N)ccc2n1-c1cccc(C#N)c1	ZINC000052842384	519868848	/nfs/dbraw/zinc/86/88/48/519868848.db2.gz	JVAMZKIMOVBKHV-UHFFFAOYSA-N	1	1	276.343	3.603	10	30		CHEEMO
C=CC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(O)c1-3	ZINC000013860705	581094290	/nfs/dbraw/zinc/09/42/90/581094290.db2.gz	AUVXRDCLWMODQH-MRXNPFEDSA-N	1	1	277.367	3.701	10	30		CHEEMO
Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)cs1	ZINC000189761473	1126935468	/nfs/dbraw/zinc/93/54/68/1126935468.db2.gz	HPGKIIYVAIDLBY-INIZCTEOSA-N	1	1	283.400	3.660	10	30		CHEEMO
Cc1nc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)cs1	ZINC000189761473	1126935471	/nfs/dbraw/zinc/93/54/71/1126935471.db2.gz	HPGKIIYVAIDLBY-INIZCTEOSA-N	1	1	283.400	3.660	10	30		CHEEMO
Clc1ccc(C#CC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1	ZINC000177172165	329183249	/nfs/dbraw/zinc/18/32/49/329183249.db2.gz	DGSHSEYYKRIFTR-QGZVFWFLSA-N	1	1	299.805	3.642	10	30		CHEEMO
Clc1ccc(C#CC[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1	ZINC000177172165	329183250	/nfs/dbraw/zinc/18/32/50/329183250.db2.gz	DGSHSEYYKRIFTR-QGZVFWFLSA-N	1	1	299.805	3.642	10	30		CHEEMO
CC(C)CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)cc1	ZINC000061891701	333475059	/nfs/dbraw/zinc/47/50/59/333475059.db2.gz	FOQKVPKHXUMRKF-WMZOPIPTSA-N	1	1	286.419	3.893	10	30		CHEEMO
C(#Cc1ccncc1)CC[N@@H+]1CC=C(c2ccccc2)CC1	ZINC000001533847	581093355	/nfs/dbraw/zinc/09/33/55/581093355.db2.gz	VPUYNZMAEQVXFX-UHFFFAOYSA-N	1	1	288.394	3.613	10	30		CHEEMO
C[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1cccc(C#N)c1	ZINC000192941249	227397282	/nfs/dbraw/zinc/39/72/82/227397282.db2.gz	HGOZQYGOOSAXBM-KXBFYZLASA-N	1	1	293.414	3.512	10	30		CHEEMO
C=CC[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1	ZINC000127673086	264263357	/nfs/dbraw/zinc/26/33/57/264263357.db2.gz	KWYKASWZUTWZGQ-LBPRGKRZSA-N	1	1	250.411	3.632	10	30		CHEEMO
N#Cc1c(C[N@@H+]2CCC[C@H]2c2ccco2)cn2ccccc12	ZINC000116298246	267137650	/nfs/dbraw/zinc/13/76/50/267137650.db2.gz	HYECQLIDXVZBLD-KRWDZBQOSA-N	1	1	291.354	3.741	10	30		CHEEMO
N#Cc1c(C[N@H+]2CCC[C@H]2c2ccco2)cn2ccccc12	ZINC000116298246	267137655	/nfs/dbraw/zinc/13/76/55/267137655.db2.gz	HYECQLIDXVZBLD-KRWDZBQOSA-N	1	1	291.354	3.741	10	30		CHEEMO
CC(C)(C#N)CCC[N@H+]1CCC[C@@H](c2nccs2)C1	ZINC000174838449	329163858	/nfs/dbraw/zinc/16/38/58/329163858.db2.gz	WESTYKZBHUYDAY-CYBMUJFWSA-N	1	1	277.437	3.652	10	30		CHEEMO
N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)c2cccnc12	ZINC000166444601	331307104	/nfs/dbraw/zinc/30/71/04/331307104.db2.gz	KZPONJYKIGCHNF-IAQYHMDHSA-N	1	1	285.778	3.670	10	30		CHEEMO
C=CCCCCC[NH2+]C1(c2noc(CC)n2)CCCC1	ZINC000193363370	333248668	/nfs/dbraw/zinc/24/86/68/333248668.db2.gz	SOMSKSIUCZRFQS-UHFFFAOYSA-N	1	1	277.412	3.737	10	30		CHEEMO
C=CC[N@@H+](Cc1cccnc1)Cc1ccnc2ccccc12	ZINC000065428918	570335904	/nfs/dbraw/zinc/33/59/04/570335904.db2.gz	ZGWPATDRPOZLQJ-UHFFFAOYSA-N	1	1	289.382	3.818	10	30		CHEEMO