smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CCC[N@H+](CCN1CCOCC1)CC1CC1	ZINC000081043745	136211225	/nfs/dbraw/zinc/21/12/25/136211225.db2.gz	KBGOWYWNPSXRIE-UHFFFAOYSA-N	1	1	237.347	0.944	50	30		BCEAMO
N#CCC[N@@H+](CCN1CCOCC1)CC1CC1	ZINC000081043745	136211226	/nfs/dbraw/zinc/21/12/26/136211226.db2.gz	KBGOWYWNPSXRIE-UHFFFAOYSA-N	1	1	237.347	0.944	50	30		BCEAMO
Cc1ccn(Cc2[nH+]ccn2C)c(=O)c1C#N	ZINC000097094704	398224754	/nfs/dbraw/zinc/22/47/54/398224754.db2.gz	GPKSCCRXHNLXEF-UHFFFAOYSA-N	1	1	228.255	0.810	50	30		BCEAMO
CCn1cc(C[N@@H+]2C[C@H](O)[C@@H](OC)C2)cc1C#N	ZINC000584901692	342714034	/nfs/dbraw/zinc/71/40/34/342714034.db2.gz	XHERPOOLCITZGM-STQMWFEESA-N	1	1	249.314	0.571	50	30		BCEAMO
CCn1cc(C[N@H+]2C[C@H](O)[C@@H](OC)C2)cc1C#N	ZINC000584901692	342714036	/nfs/dbraw/zinc/71/40/36/342714036.db2.gz	XHERPOOLCITZGM-STQMWFEESA-N	1	1	249.314	0.571	50	30		BCEAMO
CCN(CCNC(=[NH2+])N[C@H](C)COC)C(C)C	ZINC000072272567	343127378	/nfs/dbraw/zinc/12/73/78/343127378.db2.gz	GHUHVJHQWMARHI-LLVKDONJSA-N	1	1	244.383	0.656	50	30		BCEAMO
C#CC[N@@H+](CC#CC)CCC(=O)N1CCOCC1	ZINC000076089588	362969635	/nfs/dbraw/zinc/96/96/35/362969635.db2.gz	BOFSRSGQLYWVFS-UHFFFAOYSA-N	1	1	248.326	0.194	50	30		BCEAMO
C=CC(C)(C)OC[C@@H](O)C[NH+]1CCOCC1	ZINC000012421364	350669938	/nfs/dbraw/zinc/66/99/38/350669938.db2.gz	RKIOOVIAHRJBEQ-NSHDSACASA-N	1	1	229.320	0.661	50	30		BCEAMO
C=CCOC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000020413575	188231788	/nfs/dbraw/zinc/23/17/88/188231788.db2.gz	CEVOYCWAYIDADP-NSHDSACASA-N	1	1	221.256	0.991	50	30		BCEAMO
N=C(NC(N)=[NH2+])Nc1cccc([N+](=O)[O-])c1	ZINC000005785242	181187935	/nfs/dbraw/zinc/18/79/35/181187935.db2.gz	WEOIHIYCKWSSBW-UHFFFAOYSA-N	1	1	222.208	0.024	50	30		BCEAMO
C=C(C)C[N@@H+](CC)CCCS(=O)(=O)NC	ZINC000071908250	384156559	/nfs/dbraw/zinc/15/65/59/384156559.db2.gz	FZEOWZWOYLHGPB-UHFFFAOYSA-N	1	1	234.365	0.824	50	30		BCEAMO
C#CCCN1CCN(c2cc(C)[nH+]c(N)n2)CC1	ZINC000049432291	533055570	/nfs/dbraw/zinc/05/55/70/533055570.db2.gz	ICLDQVKOTNIUQL-UHFFFAOYSA-N	1	1	245.330	0.513	50	30		BCEAMO
CC1=C(C)N(O)C(=C[N+](=O)C(C)(C)/C=N/O)N1	ZINC000013455613	384357859	/nfs/dbraw/zinc/35/78/59/384357859.db2.gz	LGYMHBUHJJPWJY-WIMWZFCHSA-N	1	1	240.263	0.905	50	30		BCEAMO
C=CCCS(=O)(=O)NC[C@H]1CCC[N@@H+]1CC	ZINC000097102324	384360194	/nfs/dbraw/zinc/36/01/94/384360194.db2.gz	CDCCYCBHGSMFGP-LLVKDONJSA-N	1	1	246.376	0.966	50	30		BCEAMO
CC[C@H]1CN(CC#N)CC[N@H+]1C[C@@H](C)O	ZINC000072279729	384650154	/nfs/dbraw/zinc/65/01/54/384650154.db2.gz	SAKWPOCKIUDFQJ-MNOVXSKESA-N	1	1	211.309	0.287	50	30		BCEAMO
C[N@@H+](CC(=O)NCCC#N)C1CCCC1	ZINC000053436678	387782301	/nfs/dbraw/zinc/78/23/01/387782301.db2.gz	HHULJMDYKGAWFK-UHFFFAOYSA-N	1	1	209.293	0.891	50	30		BCEAMO
C[C@H]1C[N@H+](C)CCN1c1nccnc1C#N	ZINC000089939333	388374718	/nfs/dbraw/zinc/37/47/18/388374718.db2.gz	BLEGLAIBHKJZTC-VIFPVBQESA-N	1	1	217.276	0.489	50	30		BCEAMO
C[C@H]1C[N@@H+](C)CCN1c1nccnc1C#N	ZINC000089939333	388374722	/nfs/dbraw/zinc/37/47/22/388374722.db2.gz	BLEGLAIBHKJZTC-VIFPVBQESA-N	1	1	217.276	0.489	50	30		BCEAMO
C=C(C)C[N@@H+](CCOC)[C@H](C)C(N)=O	ZINC000069538293	388419933	/nfs/dbraw/zinc/41/99/33/388419933.db2.gz	GOBGNBGSDGXKGS-SECBINFHSA-N	1	1	200.282	0.385	50	30		BCEAMO
C=C(C)C[N@H+](CCOC)[C@H](C)C(N)=O	ZINC000069538293	388419938	/nfs/dbraw/zinc/41/99/38/388419938.db2.gz	GOBGNBGSDGXKGS-SECBINFHSA-N	1	1	200.282	0.385	50	30		BCEAMO
N#Cc1ccc(N2CC[NH+](CCO)CC2)c(F)c1	ZINC000036886754	132342979	/nfs/dbraw/zinc/34/29/79/132342979.db2.gz	JPWMPKOAQAPVHQ-UHFFFAOYSA-N	1	1	249.289	0.812	50	30		BCEAMO
COCC[NH+]1CCN(c2cc(C#N)ccn2)CC1	ZINC000043533862	132353479	/nfs/dbraw/zinc/35/34/79/132353479.db2.gz	XYSDUPHJMXZBOS-UHFFFAOYSA-N	1	1	246.314	0.722	50	30		BCEAMO
C=CCC[N@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1	ZINC000089496892	166265213	/nfs/dbraw/zinc/26/52/13/166265213.db2.gz	UZVHGVPDPQOXIL-ZJUUUORDSA-N	1	1	213.277	0.825	50	30		BCEAMO
C=CCN(CC1=CCC[N@@H+](C)C1)C(=O)COC	ZINC000067540305	166327002	/nfs/dbraw/zinc/32/70/02/166327002.db2.gz	GQJMDTAOXCMWQX-UHFFFAOYSA-N	1	1	238.331	0.909	50	30		BCEAMO
COCCOC[C@H]1CC[N@H+](CCC#N)C1	ZINC000096441642	174364535	/nfs/dbraw/zinc/36/45/35/174364535.db2.gz	DJTHMXUAOOPZOR-NSHDSACASA-N	1	1	212.293	0.885	50	30		BCEAMO
COCCOC[C@H]1CC[N@@H+](CCC#N)C1	ZINC000096441642	174364536	/nfs/dbraw/zinc/36/45/36/174364536.db2.gz	DJTHMXUAOOPZOR-NSHDSACASA-N	1	1	212.293	0.885	50	30		BCEAMO
COc1ccc(/C=N/N2CC[NH+](C)CC2)cc1O	ZINC000002769276	175049329	/nfs/dbraw/zinc/04/93/29/175049329.db2.gz	ZAKVRUKCNLANEM-GXDHUFHOSA-N	1	1	249.314	0.982	50	30		BCEAMO
C[C@H]1CCCC[N@H+]1CC(=O)NCCC#N	ZINC000012895940	177074035	/nfs/dbraw/zinc/07/40/35/177074035.db2.gz	SDUAWJKIWWVWGL-JTQLQIEISA-N	1	1	209.293	0.891	50	30		BCEAMO
CN(CCC#N)C(=O)C[N@@H+](C)CC1CC1	ZINC000037903015	522419612	/nfs/dbraw/zinc/41/96/12/522419612.db2.gz	IXGFDFJQAQZVBE-UHFFFAOYSA-N	1	1	209.293	0.700	50	30		BCEAMO
CC[C@H]1CN(CC#N)CC[N@H+]1C[C@H](C)O	ZINC000247238557	523267826	/nfs/dbraw/zinc/26/78/26/523267826.db2.gz	SAKWPOCKIUDFQJ-QWRGUYRKSA-N	1	1	211.309	0.287	50	30		BCEAMO
CC#CC[N@@H+]1CCC(F)(F)[C@@H](CO)C1	ZINC000334389810	534709389	/nfs/dbraw/zinc/70/93/89/534709389.db2.gz	SCANRBCRBUNBOT-SECBINFHSA-N	1	1	203.232	0.959	50	30		BCEAMO
CC#CC[N@H+]1CCC(F)(F)[C@@H](CO)C1	ZINC000334389810	534709395	/nfs/dbraw/zinc/70/93/95/534709395.db2.gz	SCANRBCRBUNBOT-SECBINFHSA-N	1	1	203.232	0.959	50	30		BCEAMO
C[C@H](O)C[N@H+]1CCN(CCC#N)C[C@H]1C	ZINC000106844070	525768843	/nfs/dbraw/zinc/76/88/43/525768843.db2.gz	RFXFFUDVOWXMOT-MNOVXSKESA-N	1	1	211.309	0.287	50	30		BCEAMO
C#CCC[NH+]1CCN(C[C@H](O)CC)CC1	ZINC000096494247	191142276	/nfs/dbraw/zinc/14/22/76/191142276.db2.gz	KCNPVNMGUJZNEW-GFCCVEGCSA-N	1	1	210.321	0.398	50	30		BCEAMO
C=CC[NH+]1CCN(Cc2nccn2C)CC1	ZINC000069443465	166354552	/nfs/dbraw/zinc/35/45/52/166354552.db2.gz	JJIFOSSIIZSIAG-UHFFFAOYSA-N	1	1	220.320	0.724	50	30		BCEAMO
C=C(C)C[N@@H+](C)C[C@H](O)CN1CCOCC1	ZINC000083244499	188270795	/nfs/dbraw/zinc/27/07/95/188270795.db2.gz	HCQMGMKKWXLVKO-LBPRGKRZSA-N	1	1	228.336	0.187	50	30		BCEAMO
N#Cc1nccn1CCC[NH+]1CCOCC1	ZINC000120819287	181172557	/nfs/dbraw/zinc/17/25/57/181172557.db2.gz	XNDUSSJCZRVLLV-UHFFFAOYSA-N	1	1	220.276	0.477	50	30		BCEAMO
[NH2+]=C(NOC(=O)N1CCOCC1)c1ccccc1	ZINC000006528980	181180937	/nfs/dbraw/zinc/18/09/37/181180937.db2.gz	WSRKXIGHYVUSNH-UHFFFAOYSA-N	1	1	249.270	0.776	50	30		BCEAMO
CO[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2C)C[C@@H]1O	ZINC000584887420	369036014	/nfs/dbraw/zinc/03/60/14/369036014.db2.gz	KJWAMTGTAKXRIJ-STQMWFEESA-N	1	1	249.314	0.397	50	30		BCEAMO
C[C@@H]1C[N@@H+](C)C[C@H]1NS(=O)(=O)CCCC#N	ZINC000257365891	384298620	/nfs/dbraw/zinc/29/86/20/384298620.db2.gz	AOALFMIDULUKRE-NXEZZACHSA-N	1	1	245.348	0.160	50	30		BCEAMO
C[C@H](O)C[NH+]1CCC(CN(C)CCC#N)CC1	ZINC000069896967	384814433	/nfs/dbraw/zinc/81/44/33/384814433.db2.gz	QPNLROHSPJJGOY-LBPRGKRZSA-N	1	1	239.363	0.925	50	30		BCEAMO
CN(CCC#N)CC1CC[NH+](CCO)CC1	ZINC000069630005	388422743	/nfs/dbraw/zinc/42/27/43/388422743.db2.gz	CCPVNVGJNJCEHV-UHFFFAOYSA-N	1	1	225.336	0.536	50	30		BCEAMO
N#Cc1ccc(N2CC[NH+](CCO)CC2)nc1	ZINC000014007916	132322471	/nfs/dbraw/zinc/32/24/71/132322471.db2.gz	FBIAEMRQPKPJLV-UHFFFAOYSA-N	1	1	232.287	0.068	50	30		BCEAMO
C#CCNC(=O)C[N@@H+](CCC)CC1CC1	ZINC000048374190	411191480	/nfs/dbraw/zinc/19/14/80/411191480.db2.gz	TZPDEPGHDSZPGW-UHFFFAOYSA-N	1	1	208.305	0.858	50	30		BCEAMO
CC[N@H+]1C[C@H](Nc2ccc(C#N)cn2)[C@@H](OC)C1	ZINC000584886544	411637846	/nfs/dbraw/zinc/63/78/46/411637846.db2.gz	IUBAILDEUGAQIU-RYUDHWBXSA-N	1	1	246.314	1.084	50	30		BCEAMO
CC[C@@H]1CN(CC#N)CC[N@H+]1CCOC	ZINC000069840672	171075293	/nfs/dbraw/zinc/07/52/93/171075293.db2.gz	ZDYQYULQIVUCNM-LLVKDONJSA-N	1	1	211.309	0.553	50	30		BCEAMO
CN1CC[N@@H+](C)C[C@@H]1CNc1cc(C#N)ccn1	ZINC000225344681	173076859	/nfs/dbraw/zinc/07/68/59/173076859.db2.gz	XRARYEOLMMTQSW-LBPRGKRZSA-N	1	1	245.330	0.611	50	30		BCEAMO
C[N@H+]1CCOC[C@@H](CNc2cccc(C#N)n2)C1	ZINC000072158826	173097682	/nfs/dbraw/zinc/09/76/82/173097682.db2.gz	MMSJFCNGVWPLPC-NSHDSACASA-N	1	1	246.314	0.943	50	30		BCEAMO
C[C@@H]1CCC[N@@H+](CC(=O)NCCC#N)C1	ZINC000027342003	176097184	/nfs/dbraw/zinc/09/71/84/176097184.db2.gz	MWRIKHFZWASYHL-SNVBAGLBSA-N	1	1	209.293	0.748	50	30		BCEAMO
C[C@H]1CCC[N@@H+](CC(=O)NCCC#N)C1	ZINC000027342006	177096660	/nfs/dbraw/zinc/09/66/60/177096660.db2.gz	MWRIKHFZWASYHL-JTQLQIEISA-N	1	1	209.293	0.748	50	30		BCEAMO
N#Cc1cc2n(n1)CC[N@@H+](C[C@H]1CCOC1)C2	ZINC000670446025	487494014	/nfs/dbraw/zinc/49/40/14/487494014.db2.gz	YJZCKJRNWQQVQS-SNVBAGLBSA-N	1	1	232.287	0.607	50	30		BCEAMO
C=C(C)CN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1	ZINC000106844361	518603653	/nfs/dbraw/zinc/60/36/53/518603653.db2.gz	QYMIUHLYGAUGDS-RYUDHWBXSA-N	1	1	212.337	0.949	50	30		BCEAMO
C=C(C)C[N@H+]1CCN(C[C@H](C)O)[C@@H](C)C1	ZINC000106844361	518603660	/nfs/dbraw/zinc/60/36/60/518603660.db2.gz	QYMIUHLYGAUGDS-RYUDHWBXSA-N	1	1	212.337	0.949	50	30		BCEAMO
C=C(C)C[N@@H+]1CCN(C[C@H](C)O)[C@@H](C)C1	ZINC000106844361	518603665	/nfs/dbraw/zinc/60/36/65/518603665.db2.gz	QYMIUHLYGAUGDS-RYUDHWBXSA-N	1	1	212.337	0.949	50	30		BCEAMO
COCC[N@H+]1CCN([C@H](C)CC#N)C[C@@H]1C	ZINC000106776759	523859103	/nfs/dbraw/zinc/85/91/03/523859103.db2.gz	SMLXCXHVPIJQBN-NEPJUHHUSA-N	1	1	225.336	0.941	50	30		BCEAMO
CNC(=O)ONC(=[NH2+])c1ccc(C)cc1	ZINC000022342522	642319278	/nfs/dbraw/zinc/31/92/78/642319278.db2.gz	RJJANDOEGIURLN-UHFFFAOYSA-N	1	1	207.233	0.971	50	30		BCEAMO
C[C@@H]1C[N@@H+](C)[C@H](C)C/C1=N\NC(N)=S	ZINC000015635769	642924830	/nfs/dbraw/zinc/92/48/30/642924830.db2.gz	YAOJGOYGZHFMHH-CSNSAUQASA-N	1	1	214.338	0.536	50	30		BCEAMO
Cn1c[nH+]cc1CCNc1ccc(C#N)nn1	ZINC000170076116	187227371	/nfs/dbraw/zinc/22/73/71/187227371.db2.gz	SDQUNNNUPWNNKD-UHFFFAOYSA-N	1	1	228.259	0.736	50	30		BCEAMO
C=CCCS(=O)(=O)NC[C@H]1CCC[N@@H+]1C	ZINC000195578769	347648732	/nfs/dbraw/zinc/64/87/32/347648732.db2.gz	KVWBXVQDPJEBOD-SNVBAGLBSA-N	1	1	232.349	0.576	50	30		BCEAMO
N#CCC[NH2+]C[C@@H]1CN(C2CC2)CCO1	ZINC000069590100	188285417	/nfs/dbraw/zinc/28/54/17/188285417.db2.gz	UUEYDHIUCCTLJH-LLVKDONJSA-N	1	1	209.293	0.353	50	30		BCEAMO
N#CCCNC[C@@H]1C[N@@H+](C2CC2)CCO1	ZINC000069590100	188285419	/nfs/dbraw/zinc/28/54/19/188285419.db2.gz	UUEYDHIUCCTLJH-LLVKDONJSA-N	1	1	209.293	0.353	50	30		BCEAMO
N#CCCNC[C@@H]1C[N@H+](C2CC2)CCO1	ZINC000069590100	188285421	/nfs/dbraw/zinc/28/54/21/188285421.db2.gz	UUEYDHIUCCTLJH-LLVKDONJSA-N	1	1	209.293	0.353	50	30		BCEAMO
C=C(C)C[N@H+]1CCC[C@H](NS(C)(=O)=O)C1	ZINC000058429771	353412123	/nfs/dbraw/zinc/41/21/23/353412123.db2.gz	BKBISLFNVDDCGK-JTQLQIEISA-N	1	1	232.349	0.576	50	30		BCEAMO
CN(C[C@@H]1CCC[N@H+]1C)c1ncc(C#N)c(N)n1	ZINC000584895050	369042378	/nfs/dbraw/zinc/04/23/78/369042378.db2.gz	SMAANIHKUVHSBC-JTQLQIEISA-N	1	1	246.318	0.291	50	30		BCEAMO
N#C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CCO1	ZINC000330287466	371234483	/nfs/dbraw/zinc/23/44/83/371234483.db2.gz	BFKXASMDHJINGQ-VXGBXAGGSA-N	1	1	249.314	0.364	50	30		BCEAMO
COC(=O)[C@@H]([NH3+])Cc1cccc(C#N)c1	ZINC000039169185	372890457	/nfs/dbraw/zinc/89/04/57/372890457.db2.gz	MTEFGBPISYQHIK-JTQLQIEISA-N	1	1	204.229	0.601	50	30		BCEAMO
C#CCNC(=O)N1CCC[N@H+](CC(C)C)CC1	ZINC000069977993	374108486	/nfs/dbraw/zinc/10/84/86/374108486.db2.gz	WGKXACYIMSPJQY-UHFFFAOYSA-N	1	1	237.347	0.993	50	30		BCEAMO
C=C(C)C[N@@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1	ZINC000089496872	384787811	/nfs/dbraw/zinc/78/78/11/384787811.db2.gz	XMARMSBXUIDAJO-ZJUUUORDSA-N	1	1	213.277	0.825	50	30		BCEAMO
C=C(C)C[N@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1	ZINC000089496872	384787817	/nfs/dbraw/zinc/78/78/17/384787817.db2.gz	XMARMSBXUIDAJO-ZJUUUORDSA-N	1	1	213.277	0.825	50	30		BCEAMO
CNC(=[NH2+])NCCCN1C[C@@H](C)O[C@H](C)C1	ZINC000058363334	384998099	/nfs/dbraw/zinc/99/80/99/384998099.db2.gz	YZNGQORGEQGOFK-NXEZZACHSA-N	1	1	228.340	0.020	50	30		BCEAMO
N#Cc1ccc(N2CC[N@@H+]3CCOC[C@H]3C2)cn1	ZINC000364882193	385127804	/nfs/dbraw/zinc/12/78/04/385127804.db2.gz	KTRRHYVCHNUOCT-CYBMUJFWSA-N	1	1	244.298	0.474	50	30		BCEAMO
N#Cc1ccc(N2CC[N@H+]3CCOC[C@H]3C2)cn1	ZINC000364882193	385127807	/nfs/dbraw/zinc/12/78/07/385127807.db2.gz	KTRRHYVCHNUOCT-CYBMUJFWSA-N	1	1	244.298	0.474	50	30		BCEAMO
O=C1CC[N@H+](CC#Cc2ccc(F)cc2)CCN1	ZINC000095431185	386520018	/nfs/dbraw/zinc/52/00/18/386520018.db2.gz	NJIXAWPIVCBHCY-UHFFFAOYSA-N	1	1	246.285	0.999	50	30		BCEAMO
O=C1CC[N@@H+](CC#Cc2ccc(F)cc2)CCN1	ZINC000095431185	386520026	/nfs/dbraw/zinc/52/00/26/386520026.db2.gz	NJIXAWPIVCBHCY-UHFFFAOYSA-N	1	1	246.285	0.999	50	30		BCEAMO
C[N@H+]1CCN(c2cccc(C#N)n2)C[C@@H]1CCO	ZINC000072447442	132397412	/nfs/dbraw/zinc/39/74/12/132397412.db2.gz	RNPMCEMJIDGNQB-LBPRGKRZSA-N	1	1	246.314	0.456	50	30		BCEAMO
COC(=O)c1cccc(NC(=N)NC(N)=[NH2+])c1	ZINC000020459043	397965630	/nfs/dbraw/zinc/96/56/30/397965630.db2.gz	KSQPABBKBMNPIL-UHFFFAOYSA-N	1	1	235.247	0.093	50	30		BCEAMO
C#CCNC(=O)N1CC[C@H](C[N@H+](C)CCC)C1	ZINC000096431343	166177363	/nfs/dbraw/zinc/17/73/63/166177363.db2.gz	PVNWDJMNXBAVFZ-GFCCVEGCSA-N	1	1	237.347	0.993	50	30		BCEAMO
C#CCNC(=O)NC[C@@H]1CCC[N@H+](C)C1	ZINC000075607269	166178438	/nfs/dbraw/zinc/17/84/38/166178438.db2.gz	FJOZQNIHYPVOOO-JTQLQIEISA-N	1	1	209.293	0.261	50	30		BCEAMO
C#CCNC(=O)NC[C@H]1CCCC[N@@H+]1CC	ZINC000071897553	166179509	/nfs/dbraw/zinc/17/95/09/166179509.db2.gz	FOHZBDLOPOKRKA-LLVKDONJSA-N	1	1	223.320	0.793	50	30		BCEAMO
C=CC[N@H+](CC#Cc1ccccc1)C[C@@H](O)CO	ZINC000055168383	166324561	/nfs/dbraw/zinc/32/45/61/166324561.db2.gz	NGAMLJOGOKJAIY-OAHLLOKOSA-N	1	1	245.322	0.879	50	30		BCEAMO
C=CC[N@@H+](CC#Cc1ccccc1)C[C@@H](O)CO	ZINC000055168383	166324563	/nfs/dbraw/zinc/32/45/63/166324563.db2.gz	NGAMLJOGOKJAIY-OAHLLOKOSA-N	1	1	245.322	0.879	50	30		BCEAMO
C=CCNC(=O)N1CCC[N@H+](CC)CC1	ZINC000071913561	166375013	/nfs/dbraw/zinc/37/50/13/166375013.db2.gz	UMQNWDXCUCJEGQ-UHFFFAOYSA-N	1	1	211.309	0.910	50	30		BCEAMO
C[NH+]1CCN(/C=C\C(=O)C(F)(F)F)CC1	ZINC000034766232	173063563	/nfs/dbraw/zinc/06/35/63/173063563.db2.gz	HFVPPIFYFLQVQL-IHWYPQMZSA-N	1	1	222.210	0.879	50	30		BCEAMO
C[N@H+]1CCc2c(C#N)c(N)n(N)c(=S)c2C1	ZINC000019810714	173168138	/nfs/dbraw/zinc/16/81/38/173168138.db2.gz	MPCWKHNWMHUMAA-UHFFFAOYSA-N	1	1	235.316	0.373	50	30		BCEAMO
COCC[N@H+]1CCN(CCCC#N)C[C@H]1C	ZINC000069817689	174309673	/nfs/dbraw/zinc/30/96/73/174309673.db2.gz	OGHLXYHNUYTECV-GFCCVEGCSA-N	1	1	225.336	0.943	50	30		BCEAMO
COCCN1CC[N@H+](CCCC#N)C[C@H]1C	ZINC000069817689	174309675	/nfs/dbraw/zinc/30/96/75/174309675.db2.gz	OGHLXYHNUYTECV-GFCCVEGCSA-N	1	1	225.336	0.943	50	30		BCEAMO
COCCN1CC[N@@H+](CCCC#N)C[C@H]1C	ZINC000069817689	174309676	/nfs/dbraw/zinc/30/96/76/174309676.db2.gz	OGHLXYHNUYTECV-GFCCVEGCSA-N	1	1	225.336	0.943	50	30		BCEAMO
COCC[N@H+]1CCN([C@@H](C)CC#N)C[C@H]1C	ZINC000069972509	174310439	/nfs/dbraw/zinc/31/04/39/174310439.db2.gz	SMLXCXHVPIJQBN-NWDGAFQWSA-N	1	1	225.336	0.941	50	30		BCEAMO
C[C@H](C#N)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C	ZINC000215966189	177253125	/nfs/dbraw/zinc/25/31/25/177253125.db2.gz	RHHGPWPASAXCHJ-MXWKQRLJSA-N	1	1	211.309	0.285	50	30		BCEAMO
C=CC[N@H+]1CCC[C@H]1C(=O)NCCn1cncn1	ZINC000534664008	323159168	/nfs/dbraw/zinc/15/91/68/323159168.db2.gz	PKWAWANYNDLSNH-NSHDSACASA-N	1	1	249.318	0.045	50	30		BCEAMO
N#Cc1cc2n(n1)CC[N@@H+](C[C@@H]1CCOC1)C2	ZINC000670446023	487493923	/nfs/dbraw/zinc/49/39/23/487493923.db2.gz	YJZCKJRNWQQVQS-JTQLQIEISA-N	1	1	232.287	0.607	50	30		BCEAMO
C=C(C)CN1CC[N@H+](C[C@H](C)O)[C@H](C)C1	ZINC000241738556	518603949	/nfs/dbraw/zinc/60/39/49/518603949.db2.gz	QYMIUHLYGAUGDS-NEPJUHHUSA-N	1	1	212.337	0.949	50	30		BCEAMO
C=C(C)C[N@H+]1CCN(C[C@H](C)O)[C@H](C)C1	ZINC000241738556	518603955	/nfs/dbraw/zinc/60/39/55/518603955.db2.gz	QYMIUHLYGAUGDS-NEPJUHHUSA-N	1	1	212.337	0.949	50	30		BCEAMO
C=C(C)C[N@@H+]1CCN(C[C@H](C)O)[C@H](C)C1	ZINC000241738556	518603962	/nfs/dbraw/zinc/60/39/62/518603962.db2.gz	QYMIUHLYGAUGDS-NEPJUHHUSA-N	1	1	212.337	0.949	50	30		BCEAMO
C=CCN1CC[N@@H+](C[C@H](C)O)[C@@H](CC)C1	ZINC000247404671	518865694	/nfs/dbraw/zinc/86/56/94/518865694.db2.gz	YXXZHLQBSBEOQK-RYUDHWBXSA-N	1	1	212.337	0.949	50	30		BCEAMO
CC[C@@H](CC#N)NC(=O)[C@@H]1C[N@H+](C)CCO1	ZINC000097140574	631300635	/nfs/dbraw/zinc/30/06/35/631300635.db2.gz	JDPIKBJMFWFWQY-UWVGGRQHSA-N	1	1	225.292	0.125	50	30		BCEAMO
CC[C@@H](CC#N)NC(=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000097140574	631300639	/nfs/dbraw/zinc/30/06/39/631300639.db2.gz	JDPIKBJMFWFWQY-UWVGGRQHSA-N	1	1	225.292	0.125	50	30		BCEAMO
CC[C@H](CC#N)NC(=O)[C@H]1C[N@H+](C)CCO1	ZINC000097140579	631301664	/nfs/dbraw/zinc/30/16/64/631301664.db2.gz	JDPIKBJMFWFWQY-NXEZZACHSA-N	1	1	225.292	0.125	50	30		BCEAMO
CC[C@H](CC#N)NC(=O)[C@H]1C[N@@H+](C)CCO1	ZINC000097140579	631301668	/nfs/dbraw/zinc/30/16/68/631301668.db2.gz	JDPIKBJMFWFWQY-NXEZZACHSA-N	1	1	225.292	0.125	50	30		BCEAMO
C=CCNC(=O)N1CC[NH+](C[C@H](O)CC)CC1	ZINC000095461035	166375747	/nfs/dbraw/zinc/37/57/47/166375747.db2.gz	CRSUDCDIYOTSLY-LLVKDONJSA-N	1	1	241.335	0.271	50	30		BCEAMO
CC(=NNC1=[NH+]CCN1)c1ccc([N+](=O)[O-])cc1	ZINC000000150262	188272545	/nfs/dbraw/zinc/27/25/45/188272545.db2.gz	LCZXCBZJDCNSEK-RIYZIHGNSA-N	1	1	247.258	0.868	50	30		BCEAMO
[NH2+]=C(NC(=O)c1ccccc1)N1CCOCC1	ZINC000013153654	181179280	/nfs/dbraw/zinc/17/92/80/181179280.db2.gz	RLSWHNDIGCWNCD-UHFFFAOYSA-N	1	1	233.271	0.474	50	30		BCEAMO
N=C1C(Nc2cccc(Cl)c2)=NC(=[NH2+])N1N	ZINC000075253880	356915822	/nfs/dbraw/zinc/91/58/22/356915822.db2.gz	LQQFGSLHVHQGCG-UHFFFAOYSA-N	1	1	236.666	0.851	50	30		BCEAMO
CC[NH+]=C(NCCOC)NCCN1CCCC1	ZINC000075583035	359334762	/nfs/dbraw/zinc/33/47/62/359334762.db2.gz	OOCUKXXQABVHRK-UHFFFAOYSA-N	1	1	242.367	0.284	50	30		BCEAMO
CCCC12CN3CC(C[N@@H+](C1)CC3)C2=NO	ZINC000252599275	363983612	/nfs/dbraw/zinc/98/36/12/363983612.db2.gz	DHZBGTDXQSUBSX-UHFFFAOYSA-N	1	1	223.320	0.864	50	30		BCEAMO
N#C[C@@H]1CC[C@H]([N@@H+]2CCN3C(=O)NC[C@@H]3C2)C1	ZINC000330263722	371231705	/nfs/dbraw/zinc/23/17/05/371231705.db2.gz	WXVHGBFSUXBUBN-OUAUKWLOSA-N	1	1	234.303	0.592	50	30		BCEAMO
C[C@@H](O)C[N@H+]1CCN(CCCC#N)C[C@H]1C	ZINC000071864346	384402593	/nfs/dbraw/zinc/40/25/93/384402593.db2.gz	ONOKVCHKNTZGKJ-VXGBXAGGSA-N	1	1	225.336	0.677	50	30		BCEAMO
CC(C)C[C@@H](C#N)C[N@H+]1CC[C@H](C(N)=O)C1	ZINC000583651367	384856671	/nfs/dbraw/zinc/85/66/71/384856671.db2.gz	LSMNIIGVGNQMAM-QWRGUYRKSA-N	1	1	223.320	0.979	50	30		BCEAMO
CC(C)(C)OC(=O)N1C[C@@H]([NH3+])[C@@H](C#N)C1	ZINC000058041216	384980835	/nfs/dbraw/zinc/98/08/35/384980835.db2.gz	HTFUSRKVFAHZAU-JGVFFNPUSA-N	1	1	211.265	0.704	50	30		BCEAMO
C=CCOC(=O)N1CCN2CC[N@@H+](C)C[C@@H]2C1	ZINC000106244689	387006739	/nfs/dbraw/zinc/00/67/39/387006739.db2.gz	MIUCDHPISTZPRX-LLVKDONJSA-N	1	1	239.319	0.241	50	30		BCEAMO
C=CCOC(=O)N1CCN2CC[N@H+](C)C[C@@H]2C1	ZINC000106244689	387006746	/nfs/dbraw/zinc/00/67/46/387006746.db2.gz	MIUCDHPISTZPRX-LLVKDONJSA-N	1	1	239.319	0.241	50	30		BCEAMO
C[C@H](O)C[N@H+]1CCN(CCCC#N)C[C@@H]1C	ZINC000229373619	387168549	/nfs/dbraw/zinc/16/85/49/387168549.db2.gz	ONOKVCHKNTZGKJ-RYUDHWBXSA-N	1	1	225.336	0.677	50	30		BCEAMO
COc1cc(C#N)ccc1C[NH2+]C1(C(N)=O)CC1	ZINC000170594643	388239563	/nfs/dbraw/zinc/23/95/63/388239563.db2.gz	FFGOTLWCYQVWTK-UHFFFAOYSA-N	1	1	245.282	0.674	50	30		BCEAMO
C=CCNC(=[NH2+])NCCN1CCCC[C@H]1C	ZINC000058405078	388383091	/nfs/dbraw/zinc/38/30/91/388383091.db2.gz	XNOALOBWTHGATF-LLVKDONJSA-N	1	1	224.352	0.951	50	30		BCEAMO
CCN(CC)[C@@H](C)CNC(=[NH2+])NC1CC1	ZINC000069350414	388414900	/nfs/dbraw/zinc/41/49/00/388414900.db2.gz	ZYCQTBRJYZZGQW-VIFPVBQESA-N	1	1	212.341	0.783	50	30		BCEAMO
CC[C@H]1CN(CC#N)CC[N@H+]1CCOC	ZINC000069840674	388427673	/nfs/dbraw/zinc/42/76/73/388427673.db2.gz	ZDYQYULQIVUCNM-NSHDSACASA-N	1	1	211.309	0.553	50	30		BCEAMO
[NH2+]=C(NCCCCN1CCOCC1)NC1CC1	ZINC000161510418	388598507	/nfs/dbraw/zinc/59/85/07/388598507.db2.gz	ITEXNGIWZCDVBP-UHFFFAOYSA-N	1	1	240.351	0.166	50	30		BCEAMO
C[NH+]1CCN(c2nccnc2C#N)CC1	ZINC000039477665	132347012	/nfs/dbraw/zinc/34/70/12/132347012.db2.gz	PXZRSKBNKIYCCT-UHFFFAOYSA-N	1	1	203.249	0.100	50	30		BCEAMO
CN1CCN(C(=[NH2+])NC(=O)c2ccccc2)CC1	ZINC000013153693	173063008	/nfs/dbraw/zinc/06/30/08/173063008.db2.gz	MHOMMUILWJPQIV-UHFFFAOYSA-N	1	1	246.314	0.389	50	30		BCEAMO
C[NH+]1CCN(C(N)=NC(=O)c2ccccc2)CC1	ZINC000013153693	173063010	/nfs/dbraw/zinc/06/30/10/173063010.db2.gz	MHOMMUILWJPQIV-UHFFFAOYSA-N	1	1	246.314	0.389	50	30		BCEAMO
CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1cc(C#N)c[nH]1	ZINC000267112451	173143567	/nfs/dbraw/zinc/14/35/67/173143567.db2.gz	CCBSQYSQQJQELE-JTQLQIEISA-N	1	1	246.314	0.910	50	30		BCEAMO
C[C@H]1C[N@@H+](C)[C@@H](C)C/C1=N\NC(N)=S	ZINC000015635767	642925972	/nfs/dbraw/zinc/92/59/72/642925972.db2.gz	YAOJGOYGZHFMHH-PDIDVQAISA-N	1	1	214.338	0.536	50	30		BCEAMO
CC#CC[N@@H+]1CC[C@@]2(C1)NC(=O)N(C(C)C)C2=O	ZINC000084670769	344458723	/nfs/dbraw/zinc/45/87/23/344458723.db2.gz	UJCRYTCGSXHCGP-ZDUSSCGKSA-N	1	1	249.314	0.414	50	30		BCEAMO
CC#CC[N@H+]1CC[C@@]2(C1)NC(=O)N(C(C)C)C2=O	ZINC000084670769	344458725	/nfs/dbraw/zinc/45/87/25/344458725.db2.gz	UJCRYTCGSXHCGP-ZDUSSCGKSA-N	1	1	249.314	0.414	50	30		BCEAMO
Cc1nc(NC(N)=[NH2+])nc2cc3c(cc12)OCO3	ZINC000006130222	180005795	/nfs/dbraw/zinc/00/57/95/180005795.db2.gz	CXJGGSITRFOXON-UHFFFAOYSA-N	1	1	245.242	0.572	50	30		BCEAMO
CCOc1ccc(CO[NH+]=C(N)N)cc1	ZINC000032134047	350411930	/nfs/dbraw/zinc/41/19/30/350411930.db2.gz	ISSNTZRHIJVTDJ-UHFFFAOYSA-N	1	1	209.249	0.790	50	30		BCEAMO
C=CC[N@H+](CCC(=O)OC)CC(OC)OC	ZINC000095469389	166342527	/nfs/dbraw/zinc/34/25/27/166342527.db2.gz	NZTULFDQKAKPHS-UHFFFAOYSA-N	1	1	231.292	0.656	50	30		BCEAMO
C[N@@H+](CCNC(=O)/C=N/O)Cc1ccccc1	ZINC000001952810	359585720	/nfs/dbraw/zinc/58/57/20/359585720.db2.gz	PLHMCKHJCWEXRB-NTEUORMPSA-N	1	1	235.287	0.695	50	30		BCEAMO
O=[N+]([O-])c1ccccc1C=NNC1=[NH+]CCN1	ZINC000013110560	360939264	/nfs/dbraw/zinc/93/92/64/360939264.db2.gz	KVTJKIWNHJRDBI-UHFFFAOYSA-N	1	1	233.231	0.478	50	30		BCEAMO
CCCNC(=[NH2+])NCCN1CCCCC1	ZINC000052043892	169183838	/nfs/dbraw/zinc/18/38/38/169183838.db2.gz	WEABCACBBIPYHX-UHFFFAOYSA-N	1	1	212.341	0.787	50	30		BCEAMO
C[NH+](C)CCC[NH2+]CCCC(=O)/C=N/[O-]	ZINC000036242291	383891378	/nfs/dbraw/zinc/89/13/78/383891378.db2.gz	HBXWCPNWRYDOIL-FMIVXFBMSA-N	1	1	215.297	0.337	50	30		BCEAMO
CNC(=[NH2+])NCCCN1C[C@H](C)O[C@@H](C)C1	ZINC000058363330	385000515	/nfs/dbraw/zinc/00/05/15/385000515.db2.gz	YZNGQORGEQGOFK-UWVGGRQHSA-N	1	1	228.340	0.020	50	30		BCEAMO
COC(=O)[C@@H]([NH3+])Cc1ccc(C#N)cc1	ZINC000095640247	385431974	/nfs/dbraw/zinc/43/19/74/385431974.db2.gz	YQFIQNIOQYPOTP-JTQLQIEISA-N	1	1	204.229	0.601	50	30		BCEAMO
C=C(C)C[N@@H+](C)C[C@@H](O)CN1CCOCC1	ZINC000083244500	385819134	/nfs/dbraw/zinc/81/91/34/385819134.db2.gz	HCQMGMKKWXLVKO-GFCCVEGCSA-N	1	1	228.336	0.187	50	30		BCEAMO
C=C(C)C[NH+]1CCN(C(=O)N(C)C)CC1	ZINC000058403699	386303273	/nfs/dbraw/zinc/30/32/73/386303273.db2.gz	TWXGWLZTSDNWLM-UHFFFAOYSA-N	1	1	211.309	0.862	50	30		BCEAMO
C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1cccc(C#N)c1	ZINC000585116636	386673089	/nfs/dbraw/zinc/67/30/89/386673089.db2.gz	DBIUXBKVCSKCHJ-KBPBESRZSA-N	1	1	246.310	0.876	50	30		BCEAMO
C=C(C)C[N@@H+](C)C[C@H]1CCS(=O)(=O)C1	ZINC000089914040	388372577	/nfs/dbraw/zinc/37/25/77/388372577.db2.gz	DEAVBWOHEIREQB-SNVBAGLBSA-N	1	1	217.334	0.929	50	30		BCEAMO
C=CC[NH+]1CCN(c2ncc(F)cn2)CC1	ZINC000273586535	132306090	/nfs/dbraw/zinc/30/60/90/132306090.db2.gz	FPQITLWMRAPEEJ-UHFFFAOYSA-N	1	1	222.267	0.924	50	30		BCEAMO
C=CC[N@H+](CC#Cc1ccccc1)C[C@H](O)CO	ZINC000055168380	166323176	/nfs/dbraw/zinc/32/31/76/166323176.db2.gz	NGAMLJOGOKJAIY-HNNXBMFYSA-N	1	1	245.322	0.879	50	30		BCEAMO
C=CC[N@@H+](CC#Cc1ccccc1)C[C@H](O)CO	ZINC000055168380	166323179	/nfs/dbraw/zinc/32/31/79/166323179.db2.gz	NGAMLJOGOKJAIY-HNNXBMFYSA-N	1	1	245.322	0.879	50	30		BCEAMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1CO	ZINC000050114628	166328533	/nfs/dbraw/zinc/32/85/33/166328533.db2.gz	OGANYEMJUFLWLY-LBPRGKRZSA-N	1	1	238.331	0.644	50	30		BCEAMO
CC[C@@H]1CN(CC#N)CC[N@H+]1C[C@@H](C)O	ZINC000072279728	171075388	/nfs/dbraw/zinc/07/53/88/171075388.db2.gz	SAKWPOCKIUDFQJ-GHMZBOCLSA-N	1	1	211.309	0.287	50	30		BCEAMO
C[NH+]1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC000003306773	173072152	/nfs/dbraw/zinc/07/21/52/173072152.db2.gz	LROHRAWHVXIYAH-UHFFFAOYSA-N	1	1	229.283	0.946	50	30		BCEAMO
COc1ccc2c(C)nc(NC(N)=[NH2+])nc2c1	ZINC000019228541	175204934	/nfs/dbraw/zinc/20/49/34/175204934.db2.gz	ZJBMSSBTCGJZEE-UHFFFAOYSA-N	1	1	231.259	0.852	50	30	in-vitro	BCEAMO
COc1nc(NC(N)=[NH2+])nc2ccc(C)cc21	ZINC000017163023	175394048	/nfs/dbraw/zinc/39/40/48/175394048.db2.gz	IBZPHBHVVLWJMU-UHFFFAOYSA-N	1	1	231.259	0.852	50	30		BCEAMO
C=C(Cl)C[N@H+](C)C[C@@H](O)CN1CCOCC1	ZINC000083688955	487927805	/nfs/dbraw/zinc/92/78/05/487927805.db2.gz	JKIUYHROVXWCSR-LLVKDONJSA-N	1	1	248.754	0.364	50	30		BCEAMO
C=C(Cl)C[N@@H+](C)C[C@@H](O)CN1CCOCC1	ZINC000083688955	487927810	/nfs/dbraw/zinc/92/78/10/487927810.db2.gz	JKIUYHROVXWCSR-LLVKDONJSA-N	1	1	248.754	0.364	50	30		BCEAMO
CC[C@@H](CC#N)NC(=O)[C@H]1C[N@H+](C)CCO1	ZINC000097140577	631301096	/nfs/dbraw/zinc/30/10/96/631301096.db2.gz	JDPIKBJMFWFWQY-VHSXEESVSA-N	1	1	225.292	0.125	50	30		BCEAMO
CC[C@@H](CC#N)NC(=O)[C@H]1C[N@@H+](C)CCO1	ZINC000097140577	631301100	/nfs/dbraw/zinc/30/11/00/631301100.db2.gz	JDPIKBJMFWFWQY-VHSXEESVSA-N	1	1	225.292	0.125	50	30		BCEAMO
Cc1cc(N[NH+]=CN(C)C)n2ncnc2n1	ZINC000005242233	178111412	/nfs/dbraw/zinc/11/14/12/178111412.db2.gz	OWVVSHQPJHVYFD-IZZDOVSWSA-N	1	1	219.252	0.350	50	30		BCEAMO
C=C(C)CN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1	ZINC000071877518	398331570	/nfs/dbraw/zinc/33/15/70/398331570.db2.gz	QYMIUHLYGAUGDS-NWDGAFQWSA-N	1	1	212.337	0.949	50	30		BCEAMO
C=C(C)C[N@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1	ZINC000071877518	398331572	/nfs/dbraw/zinc/33/15/72/398331572.db2.gz	QYMIUHLYGAUGDS-NWDGAFQWSA-N	1	1	212.337	0.949	50	30		BCEAMO
C=C(C)C[N@@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1	ZINC000071877518	398331575	/nfs/dbraw/zinc/33/15/75/398331575.db2.gz	QYMIUHLYGAUGDS-NWDGAFQWSA-N	1	1	212.337	0.949	50	30		BCEAMO
C[C@H](CC#N)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1	ZINC000247182614	343130478	/nfs/dbraw/zinc/13/04/78/343130478.db2.gz	NSDFZCDNIWSBSF-WOPDTQHZSA-N	1	1	225.336	0.675	50	30		BCEAMO
C=C(C)CN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1	ZINC000071877517	187359753	/nfs/dbraw/zinc/35/97/53/187359753.db2.gz	QYMIUHLYGAUGDS-VXGBXAGGSA-N	1	1	212.337	0.949	50	30		BCEAMO
C=C(C)C[N@H+]1CCN(C[C@@H](C)O)[C@H](C)C1	ZINC000071877517	187359755	/nfs/dbraw/zinc/35/97/55/187359755.db2.gz	QYMIUHLYGAUGDS-VXGBXAGGSA-N	1	1	212.337	0.949	50	30		BCEAMO
C=C(C)C[N@@H+]1CCN(C[C@@H](C)O)[C@H](C)C1	ZINC000071877517	187359756	/nfs/dbraw/zinc/35/97/56/187359756.db2.gz	QYMIUHLYGAUGDS-VXGBXAGGSA-N	1	1	212.337	0.949	50	30		BCEAMO
C=CCN(C)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000195570699	347647897	/nfs/dbraw/zinc/64/78/97/347647897.db2.gz	HEAPRBFICXDFGQ-WDEREUQCSA-N	1	1	241.335	0.533	50	30		BCEAMO
C=CCN(C)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000195570699	347647899	/nfs/dbraw/zinc/64/78/99/347647899.db2.gz	HEAPRBFICXDFGQ-WDEREUQCSA-N	1	1	241.335	0.533	50	30		BCEAMO
C#CC[N@H+]1CCOCC2(CCOCC2)C1	ZINC000097372257	384777077	/nfs/dbraw/zinc/77/70/77/384777077.db2.gz	BAAYIYCZQTXOKF-UHFFFAOYSA-N	1	1	209.289	0.749	50	30		BCEAMO
C#CC[N@@H+](CCC(F)(F)F)C[C@H](O)CO	ZINC000083812536	166170209	/nfs/dbraw/zinc/17/02/09/166170209.db2.gz	MAHIIUOOSGFPFK-QMMMGPOBSA-N	1	1	225.210	0.227	50	30		BCEAMO
C#CC[N@H+](CCC(F)(F)F)C[C@H](O)CO	ZINC000083812536	166170213	/nfs/dbraw/zinc/17/02/13/166170213.db2.gz	MAHIIUOOSGFPFK-QMMMGPOBSA-N	1	1	225.210	0.227	50	30		BCEAMO
C#CCNC(=O)N1CC[C@@H](C[N@H+](C)CCC)C1	ZINC000096431342	166177466	/nfs/dbraw/zinc/17/74/66/166177466.db2.gz	PVNWDJMNXBAVFZ-LBPRGKRZSA-N	1	1	237.347	0.993	50	30		BCEAMO
C#CCNC(=O)NC[C@H]1CCC[N@H+](C)C1	ZINC000075607267	166179681	/nfs/dbraw/zinc/17/96/81/166179681.db2.gz	FJOZQNIHYPVOOO-SNVBAGLBSA-N	1	1	209.293	0.261	50	30		BCEAMO
C=CCN(CC=C)c1nc(N)nc(N)[nH+]1	ZINC000001673370	166339183	/nfs/dbraw/zinc/33/91/83/166339183.db2.gz	ROHTVIURAJBDES-UHFFFAOYSA-N	1	1	206.253	0.214	50	30		BCEAMO
C=CC[NH+]1CCC(NS(C)(=O)=O)CC1	ZINC000065591296	166353834	/nfs/dbraw/zinc/35/38/34/166353834.db2.gz	YIYLSQABQHFISN-UHFFFAOYSA-N	1	1	218.322	0.186	50	30		BCEAMO
C=CCN1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1	ZINC000072279749	166357095	/nfs/dbraw/zinc/35/70/95/166357095.db2.gz	YXXZHLQBSBEOQK-VXGBXAGGSA-N	1	1	212.337	0.949	50	30		BCEAMO
CN(CCC#N)C(=O)C[NH+]1CCSCC1	ZINC000034674352	172663017	/nfs/dbraw/zinc/66/30/17/172663017.db2.gz	JTLWDOYSHXLSRJ-UHFFFAOYSA-N	1	1	227.333	0.407	50	30		BCEAMO
COCC[NH+]1CCN(CCCCC#N)CC1	ZINC000069921878	174309422	/nfs/dbraw/zinc/30/94/22/174309422.db2.gz	GDVAXGFJGZNMKD-UHFFFAOYSA-N	1	1	225.336	0.944	50	30		BCEAMO
C[C@@H]1CCCC[N@H+]1CC(=O)NCCC#N	ZINC000012895932	176069106	/nfs/dbraw/zinc/06/91/06/176069106.db2.gz	SDUAWJKIWWVWGL-SNVBAGLBSA-N	1	1	209.293	0.891	50	30		BCEAMO
CNC(NCCN1CCC[C@@H](C)C1)=[NH+]C	ZINC000241132868	524038692	/nfs/dbraw/zinc/03/86/92/524038692.db2.gz	JMLXHCXDOSGLPU-SNVBAGLBSA-N	1	1	212.341	0.513	50	30		BCEAMO
Cc1ccc([N+](=O)[O-])cc1NC(=N)NC(N)=[NH2+]	ZINC000002510658	342721828	/nfs/dbraw/zinc/72/18/28/342721828.db2.gz	HCVJMFONRZHXPR-UHFFFAOYSA-N	1	1	236.235	0.332	50	30		BCEAMO
C[C@H]1C[N@@H+](C)C[C@@H]1NS(=O)(=O)CCCC#N	ZINC000076058326	343366062	/nfs/dbraw/zinc/36/60/62/343366062.db2.gz	AOALFMIDULUKRE-UWVGGRQHSA-N	1	1	245.348	0.160	50	30		BCEAMO
C[C@@H]1C[N@@H+](C)C[C@@H]1NS(=O)(=O)CCCC#N	ZINC000076058323	343366181	/nfs/dbraw/zinc/36/61/81/343366181.db2.gz	AOALFMIDULUKRE-ZJUUUORDSA-N	1	1	245.348	0.160	50	30		BCEAMO
C=C(C)C[NH+]1CCN(CC(=O)N(C)C)CC1	ZINC000048343679	187356212	/nfs/dbraw/zinc/35/62/12/187356212.db2.gz	XFIIUZLDTKPHNX-UHFFFAOYSA-N	1	1	225.336	0.268	50	30		BCEAMO
CC[NH+]1CCN(/C(=N/C#N)SC)CC1	ZINC000087587318	351334646	/nfs/dbraw/zinc/33/46/46/351334646.db2.gz	CSBHTLRYDNJPQO-LUAWRHEFSA-N	1	1	212.322	0.824	50	30		BCEAMO
C=CCNC(=O)C[N@@H+]1CCC[C@H](OCC)C1	ZINC000071915714	166364716	/nfs/dbraw/zinc/36/47/16/166364716.db2.gz	FINYEGSQJVPGPY-NSHDSACASA-N	1	1	226.320	0.790	50	30		BCEAMO
C=C(C)C[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1	ZINC000058429774	353411751	/nfs/dbraw/zinc/41/17/51/353411751.db2.gz	BKBISLFNVDDCGK-SNVBAGLBSA-N	1	1	232.349	0.576	50	30		BCEAMO
COCCC[N@H+]1CCCC[C@H]1/C(N)=N/O	ZINC000070662770	361702176	/nfs/dbraw/zinc/70/21/76/361702176.db2.gz	AOGBHSCFFYQDBU-VIFPVBQESA-N	1	1	215.297	0.624	50	30		BCEAMO
CCC12CN3CC(C[N@@H+](C1)CC3)C2=NO	ZINC000252634419	364625326	/nfs/dbraw/zinc/62/53/26/364625326.db2.gz	WNKLFGSHMFKUDT-UHFFFAOYSA-N	1	1	209.293	0.474	50	30		BCEAMO
Cc1c(C)n(CC[NH+]2CCOCC2)c(N)c1C#N	ZINC000019933962	371203911	/nfs/dbraw/zinc/20/39/11/371203911.db2.gz	MTCWTRJJZRAQOC-UHFFFAOYSA-N	1	1	248.330	0.891	50	30		BCEAMO
N#CCC[NH2+]C[C@H]1CN(C2CC2)CCO1	ZINC000069590104	373487014	/nfs/dbraw/zinc/48/70/14/373487014.db2.gz	UUEYDHIUCCTLJH-NSHDSACASA-N	1	1	209.293	0.353	50	30		BCEAMO
N#CCCNC[C@H]1C[N@@H+](C2CC2)CCO1	ZINC000069590104	373487021	/nfs/dbraw/zinc/48/70/21/373487021.db2.gz	UUEYDHIUCCTLJH-NSHDSACASA-N	1	1	209.293	0.353	50	30		BCEAMO
N#CCCNC[C@H]1C[N@H+](C2CC2)CCO1	ZINC000069590104	373487022	/nfs/dbraw/zinc/48/70/22/373487022.db2.gz	UUEYDHIUCCTLJH-NSHDSACASA-N	1	1	209.293	0.353	50	30		BCEAMO
O=[N+]([O-])c1ccc(C=NNC2=[NH+]CCN2)o1	ZINC000022588976	182928018	/nfs/dbraw/zinc/92/80/18/182928018.db2.gz	SXIMMENGICWMQC-VZUCSPMQSA-N	1	1	223.192	0.071	50	30		BCEAMO
C[N@@H+](CCCCC#N)CCNS(C)(=O)=O	ZINC000071904670	384149070	/nfs/dbraw/zinc/14/90/70/384149070.db2.gz	NSNLXEXXCCDFRK-UHFFFAOYSA-N	1	1	233.337	0.161	50	30		BCEAMO
C=CCCS(=O)(=O)NC[C@@H]1CCC[N@@H+]1CC	ZINC000097102325	384359978	/nfs/dbraw/zinc/35/99/78/384359978.db2.gz	CDCCYCBHGSMFGP-NSHDSACASA-N	1	1	246.376	0.966	50	30		BCEAMO
C#CC[N@@H+](C)Cc1cnc(N(C)C)nc1	ZINC000097236118	384459002	/nfs/dbraw/zinc/45/90/02/384459002.db2.gz	UJPGTYVMLMDOJY-UHFFFAOYSA-N	1	1	204.277	0.608	50	30		BCEAMO
C#CC[N@H+](C)Cc1cnc(N(C)C)nc1	ZINC000097236118	384459005	/nfs/dbraw/zinc/45/90/05/384459005.db2.gz	UJPGTYVMLMDOJY-UHFFFAOYSA-N	1	1	204.277	0.608	50	30		BCEAMO
CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@H](C#N)C1	ZINC000058041227	384979639	/nfs/dbraw/zinc/97/96/39/384979639.db2.gz	HTFUSRKVFAHZAU-YUMQZZPRSA-N	1	1	211.265	0.704	50	30		BCEAMO
C[N@H+]1CCN(Cc2cccc(C#N)c2)[C@@H](CO)C1	ZINC000585117216	386674820	/nfs/dbraw/zinc/67/48/20/386674820.db2.gz	VEAVGKQCXZCOHJ-CQSZACIVSA-N	1	1	245.326	0.667	50	30		BCEAMO
C[C@@H]1C[N@H+](C)CCN1c1nccnc1C#N	ZINC000089939332	388374448	/nfs/dbraw/zinc/37/44/48/388374448.db2.gz	BLEGLAIBHKJZTC-SECBINFHSA-N	1	1	217.276	0.489	50	30		BCEAMO
C[C@@H]1C[N@@H+](C)CCN1c1nccnc1C#N	ZINC000089939332	388374450	/nfs/dbraw/zinc/37/44/50/388374450.db2.gz	BLEGLAIBHKJZTC-SECBINFHSA-N	1	1	217.276	0.489	50	30		BCEAMO
CC[C@H]1CN(CCC#N)CC[N@H+]1CCOC	ZINC000069840481	388427219	/nfs/dbraw/zinc/42/72/19/388427219.db2.gz	MAXCMMLMIYFWFD-LBPRGKRZSA-N	1	1	225.336	0.943	50	30		BCEAMO
COc1cc(C=NN2CC[NH+](C)CC2)ccc1O	ZINC000254372330	388713502	/nfs/dbraw/zinc/71/35/02/388713502.db2.gz	VAVQINOOUSXGLK-UHFFFAOYSA-N	1	1	249.314	0.982	50	30		BCEAMO
C#CC(C)(C)OC[C@@H](O)CN1CC[NH+](C)CC1	ZINC000022916832	166113528	/nfs/dbraw/zinc/11/35/28/166113528.db2.gz	RHQDRLBJRBYJPS-LBPRGKRZSA-N	1	1	240.347	0.023	50	30		BCEAMO
C#CCNC(=O)NC[C@@H]1CCCC[N@@H+]1CC	ZINC000071897554	166179407	/nfs/dbraw/zinc/17/94/07/166179407.db2.gz	FOHZBDLOPOKRKA-NSHDSACASA-N	1	1	223.320	0.793	50	30		BCEAMO
C[NH+]1CCN(c2nc(N)c(C#N)cc2C#N)CC1	ZINC000002561425	173094782	/nfs/dbraw/zinc/09/47/82/173094782.db2.gz	GSIDDXJEFGHYOX-UHFFFAOYSA-N	1	1	242.286	0.159	50	30		BCEAMO
C[C@@H](O)C[N@H+]1CCN(CCCC#N)C[C@@H]1C	ZINC000071864347	177248314	/nfs/dbraw/zinc/24/83/14/177248314.db2.gz	ONOKVCHKNTZGKJ-NWDGAFQWSA-N	1	1	225.336	0.677	50	30		BCEAMO
CC(C)NC(=O)CO[NH+]=C(N)C1CCCC1	ZINC000054210936	535271332	/nfs/dbraw/zinc/27/13/32/535271332.db2.gz	QCBJYHJMBJGABU-UHFFFAOYSA-N	1	1	227.308	0.990	50	30		BCEAMO
C=CC[NH+]1CCN(c2ncccn2)CC1	ZINC000096797759	721863003	/nfs/dbraw/zinc/86/30/03/721863003.db2.gz	CKXRJGSQCGPGGK-UHFFFAOYSA-N	1	1	204.277	0.785	50	30		BCEAMO
C[N@@H+](CCCOc1ccc(C#N)cc1)CC(N)=O	ZINC000037268530	361801126	/nfs/dbraw/zinc/80/11/26/361801126.db2.gz	PLQQPFVQDWKDGI-UHFFFAOYSA-N	1	1	247.298	0.744	50	30		BCEAMO
CN(C)c1ccc(/C=[NH+]/NC(N)=S)cc1	ZINC000017889010	342929417	/nfs/dbraw/zinc/92/94/17/342929417.db2.gz	MUDHKEQEBJQRRG-KPKJPENVSA-N	1	1	222.317	0.920	50	30		BCEAMO
COC(=O)c1sc(NC(N)=[NH2+])nc1C	ZINC000019939018	342963922	/nfs/dbraw/zinc/96/39/22/342963922.db2.gz	HEJAGYJMFVQJAE-UHFFFAOYSA-N	1	1	214.250	0.143	50	30		BCEAMO
C#CCNC(=O)N1CCC[N@H+](CCC)CC1	ZINC000070040215	343133703	/nfs/dbraw/zinc/13/37/03/343133703.db2.gz	DTLVNXVGGKSTSC-UHFFFAOYSA-N	1	1	223.320	0.747	50	30		BCEAMO
CC#CC[N@@H+]1CCC(F)(F)[C@H](CO)C1	ZINC000334389812	346481836	/nfs/dbraw/zinc/48/18/36/346481836.db2.gz	SCANRBCRBUNBOT-VIFPVBQESA-N	1	1	203.232	0.959	50	30		BCEAMO
CC#CC[N@H+]1CCC(F)(F)[C@H](CO)C1	ZINC000334389812	346481840	/nfs/dbraw/zinc/48/18/40/346481840.db2.gz	SCANRBCRBUNBOT-VIFPVBQESA-N	1	1	203.232	0.959	50	30		BCEAMO
C=CCN(C)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000195570696	347648118	/nfs/dbraw/zinc/64/81/18/347648118.db2.gz	HEAPRBFICXDFGQ-QWRGUYRKSA-N	1	1	241.335	0.533	50	30		BCEAMO
C=CCN(C)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000195570696	347648119	/nfs/dbraw/zinc/64/81/19/347648119.db2.gz	HEAPRBFICXDFGQ-QWRGUYRKSA-N	1	1	241.335	0.533	50	30		BCEAMO
C=CCNC(=O)C[N@H+]1CCCSCC1	ZINC000089985541	166365118	/nfs/dbraw/zinc/36/51/18/166365118.db2.gz	RKEHITFCCLVSAW-UHFFFAOYSA-N	1	1	214.334	0.728	50	30		BCEAMO
C#CCNC(=O)C[N@@H+]1CCc2ccccc2C1	ZINC000034863004	188234048	/nfs/dbraw/zinc/23/40/48/188234048.db2.gz	OAWKQIGGDACIJU-UHFFFAOYSA-N	1	1	228.295	0.794	50	30		BCEAMO
C#CCNC(=O)C[N@H+]1CCc2ccccc2C1	ZINC000034863004	188234049	/nfs/dbraw/zinc/23/40/49/188234049.db2.gz	OAWKQIGGDACIJU-UHFFFAOYSA-N	1	1	228.295	0.794	50	30		BCEAMO
N#Cc1cccnc1N1CCC[N@H+](CCO)CC1	ZINC000071349630	181152307	/nfs/dbraw/zinc/15/23/07/181152307.db2.gz	INXLPEAOVVNSDF-UHFFFAOYSA-N	1	1	246.314	0.458	50	30		BCEAMO
C[C@@H](C#N)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C	ZINC000044124565	368376115	/nfs/dbraw/zinc/37/61/15/368376115.db2.gz	RHHGPWPASAXCHJ-HBNTYKKESA-N	1	1	211.309	0.285	50	30		BCEAMO
CC(C)C12CN3CC(C[N@@H+](C1)CC3)/C2=N\O	ZINC000100437070	384641762	/nfs/dbraw/zinc/64/17/62/384641762.db2.gz	LMHINNNBCHWPEB-ACCUITESSA-N	1	1	223.320	0.720	50	30		BCEAMO
C[C@H](O)C[N@H+]1CCN([C@@H](C)CC#N)C[C@@H]1C	ZINC000229374995	388391295	/nfs/dbraw/zinc/39/12/95/388391295.db2.gz	NSDFZCDNIWSBSF-SRVKXCTJSA-N	1	1	225.336	0.675	50	30		BCEAMO
C=CCc1c(C)nc(N)nc1N1CC[NH2+][C@H](C)C1	ZINC000095377226	132240665	/nfs/dbraw/zinc/24/06/65/132240665.db2.gz	IZYSHSYIDZWYEK-SECBINFHSA-N	1	1	247.346	0.894	50	30		BCEAMO
N#Cc1ccccc1N1CC[NH+](CCO)CC1	ZINC000015525283	132323089	/nfs/dbraw/zinc/32/30/89/132323089.db2.gz	IBYFYUBWFHKKCS-UHFFFAOYSA-N	1	1	231.299	0.673	50	30		BCEAMO
C=CC[N@@H+](CC(=O)NC(N)=O)Cc1ccccc1	ZINC000027775750	166322472	/nfs/dbraw/zinc/32/24/72/166322472.db2.gz	WQNYGVXRUKPSMV-UHFFFAOYSA-N	1	1	247.298	0.870	50	30		BCEAMO
C=CC[N@H+](CC(=O)NC(N)=O)Cc1ccccc1	ZINC000027775750	166322475	/nfs/dbraw/zinc/32/24/75/166322475.db2.gz	WQNYGVXRUKPSMV-UHFFFAOYSA-N	1	1	247.298	0.870	50	30		BCEAMO
C=CCNC(=O)C[N@@H+]1CCC[C@@H](OCC)C1	ZINC000071915713	166365225	/nfs/dbraw/zinc/36/52/25/166365225.db2.gz	FINYEGSQJVPGPY-LLVKDONJSA-N	1	1	226.320	0.790	50	30		BCEAMO
CCn1cc(C[N@@H+]2CCOC[C@@H](O)C2)cc1C#N	ZINC000077487431	172164957	/nfs/dbraw/zinc/16/49/57/172164957.db2.gz	ZBDVLNHIFHEBQA-ZDUSSCGKSA-N	1	1	249.314	0.573	50	30		BCEAMO
CCn1cc(C[N@H+]2CCOC[C@@H](O)C2)cc1C#N	ZINC000077487431	172164959	/nfs/dbraw/zinc/16/49/59/172164959.db2.gz	ZBDVLNHIFHEBQA-ZDUSSCGKSA-N	1	1	249.314	0.573	50	30		BCEAMO
C[NH+]1CCN(/N=C/c2cccnc2)CC1	ZINC000003771024	173064280	/nfs/dbraw/zinc/06/42/80/173064280.db2.gz	YJYHPJLEZLMAEQ-JLHYYAGUSA-N	1	1	204.277	0.663	50	30		BCEAMO
COCC[N@H+]1CCN([C@H](C)CC#N)C[C@H]1C	ZINC000241846638	523859611	/nfs/dbraw/zinc/85/96/11/523859611.db2.gz	SMLXCXHVPIJQBN-VXGBXAGGSA-N	1	1	225.336	0.941	50	30		BCEAMO
C[C@H]1CCCN(CCNC(=[NH2+])NC2CC2)C1	ZINC000252509803	524086263	/nfs/dbraw/zinc/08/62/63/524086263.db2.gz	YWAZJGZKQSHPAC-JTQLQIEISA-N	1	1	224.352	0.785	50	30		BCEAMO
C[C@@H]1CCCN(CCNC(=[NH2+])NC2CC2)C1	ZINC000252509804	524220957	/nfs/dbraw/zinc/22/09/57/524220957.db2.gz	YWAZJGZKQSHPAC-SNVBAGLBSA-N	1	1	224.352	0.785	50	30		BCEAMO
CC(=O)c1ccc(NC(=N)NC(N)=[NH2+])cc1	ZINC000005434465	342763755	/nfs/dbraw/zinc/76/37/55/342763755.db2.gz	UJKOPWHENIWDKJ-UHFFFAOYSA-N	1	1	219.248	0.318	50	30		BCEAMO
C[C@H](O)C[N@H+]1CCN(CCCC#N)C[C@H]1C	ZINC000106840892	398286156	/nfs/dbraw/zinc/28/61/56/398286156.db2.gz	ONOKVCHKNTZGKJ-NEPJUHHUSA-N	1	1	225.336	0.677	50	30		BCEAMO
CC(C)C12CN3CC(C[N@@H+](C1)CC3)/C2=N/O	ZINC000022917382	343056539	/nfs/dbraw/zinc/05/65/39/343056539.db2.gz	LMHINNNBCHWPEB-QBFSEMIESA-N	1	1	223.320	0.720	50	30		BCEAMO
C[C@@H](C#N)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C	ZINC000044124569	344535846	/nfs/dbraw/zinc/53/58/46/344535846.db2.gz	RHHGPWPASAXCHJ-AXFHLTTASA-N	1	1	211.309	0.285	50	30		BCEAMO
CCSCC[NH+]1CCN(C(=O)CC#N)CC1	ZINC000577526670	365979410	/nfs/dbraw/zinc/97/94/10/365979410.db2.gz	ISXWEHABGQYQMA-UHFFFAOYSA-N	1	1	241.360	0.797	50	30		BCEAMO
N#Cc1ncn(CCC[NH+]2CCOCC2)c1C#N	ZINC000125946773	181176300	/nfs/dbraw/zinc/17/63/00/181176300.db2.gz	WANGVPKSXYFCJT-UHFFFAOYSA-N	1	1	245.286	0.349	50	30		BCEAMO
COCCNC(=[NH2+])NC[C@@H](C)N(C)C1CC1	ZINC000065532923	361590330	/nfs/dbraw/zinc/59/03/30/361590330.db2.gz	AAASZYZTMLIIOY-SECBINFHSA-N	1	1	228.340	0.020	50	30		BCEAMO
O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@H]2CO2)C1	ZINC000000517882	183002744	/nfs/dbraw/zinc/00/27/44/183002744.db2.gz	JVHGRPPYKMTKRC-WOPDTQHZSA-N	1	1	246.310	0.666	50	30		BCEAMO
C=C(C)C[NH+]1CCN(C(=O)COC)CC1	ZINC000047995001	383941807	/nfs/dbraw/zinc/94/18/07/383941807.db2.gz	AYRGVIIYRFWUSP-UHFFFAOYSA-N	1	1	212.293	0.353	50	30		BCEAMO
CCC12CN3CC(C[N@@H+](C1)CC3)/C2=N\O	ZINC000100592513	384647766	/nfs/dbraw/zinc/64/77/66/384647766.db2.gz	WNKLFGSHMFKUDT-ZRDIBKRKSA-N	1	1	209.293	0.474	50	30		BCEAMO
C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1cccc(C#N)c1	ZINC000585116638	386672631	/nfs/dbraw/zinc/67/26/31/386672631.db2.gz	DBIUXBKVCSKCHJ-UONOGXRCSA-N	1	1	246.310	0.876	50	30		BCEAMO
C=C(C)C[N@@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1	ZINC000089496871	387655435	/nfs/dbraw/zinc/65/54/35/387655435.db2.gz	XMARMSBXUIDAJO-NXEZZACHSA-N	1	1	213.277	0.825	50	30		BCEAMO
C=C(C)C[N@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1	ZINC000089496871	387655439	/nfs/dbraw/zinc/65/54/39/387655439.db2.gz	XMARMSBXUIDAJO-NXEZZACHSA-N	1	1	213.277	0.825	50	30		BCEAMO
C[N@H+]1CCN(c2cccc(C#N)n2)C[C@H]1CCO	ZINC000106983587	388599384	/nfs/dbraw/zinc/59/93/84/388599384.db2.gz	RNPMCEMJIDGNQB-GFCCVEGCSA-N	1	1	246.314	0.456	50	30		BCEAMO
N#Cc1cccnc1N1CC[NH+](CCO)CC1	ZINC000014007838	132322384	/nfs/dbraw/zinc/32/23/84/132322384.db2.gz	PXVIXXKRIPFJGL-UHFFFAOYSA-N	1	1	232.287	0.068	50	30		BCEAMO
C=CCC[N@H+]1CCO[C@H](CC(=O)OC)C1	ZINC000089400685	166265375	/nfs/dbraw/zinc/26/53/75/166265375.db2.gz	FYLWCKJCBSJTPO-SNVBAGLBSA-N	1	1	213.277	0.826	50	30		BCEAMO
C=CCC[N@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1	ZINC000089496890	166263432	/nfs/dbraw/zinc/26/34/32/166263432.db2.gz	UZVHGVPDPQOXIL-NXEZZACHSA-N	1	1	213.277	0.825	50	30		BCEAMO
C=CCC[N@@H+]1CCO[C@H](CC(=O)OC)C1	ZINC000089400685	166265372	/nfs/dbraw/zinc/26/53/72/166265372.db2.gz	FYLWCKJCBSJTPO-SNVBAGLBSA-N	1	1	213.277	0.826	50	30		BCEAMO
C=CCNC(=O)N1CC[NH+](C[C@@H](O)CC)CC1	ZINC000095461034	166376776	/nfs/dbraw/zinc/37/67/76/166376776.db2.gz	CRSUDCDIYOTSLY-NSHDSACASA-N	1	1	241.335	0.271	50	30		BCEAMO
CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc(C#N)c[nH]1	ZINC000267112455	173111842	/nfs/dbraw/zinc/11/18/42/173111842.db2.gz	CCBSQYSQQJQELE-SNVBAGLBSA-N	1	1	246.314	0.910	50	30		BCEAMO
COCCOC[C@@H]1CC[N@@H+](CCC#N)C1	ZINC000096441641	174362350	/nfs/dbraw/zinc/36/23/50/174362350.db2.gz	DJTHMXUAOOPZOR-LLVKDONJSA-N	1	1	212.293	0.885	50	30		BCEAMO
COCCOC[C@@H]1CC[N@H+](CCC#N)C1	ZINC000096441641	174362348	/nfs/dbraw/zinc/36/23/48/174362348.db2.gz	DJTHMXUAOOPZOR-LLVKDONJSA-N	1	1	212.293	0.885	50	30		BCEAMO
C[C@H](CC#N)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1	ZINC000106906608	526218527	/nfs/dbraw/zinc/21/85/27/526218527.db2.gz	NSDFZCDNIWSBSF-UTUOFQBUSA-N	1	1	225.336	0.675	50	30		BCEAMO
O=[N+]([O-])c1ccccc1C=NNC1=[NH+]CCN1	ZINC000000477435	342688579	/nfs/dbraw/zinc/68/85/79/342688579.db2.gz	KVTJKIWNHJRDBI-NTUHNPAUSA-N	1	1	233.231	0.478	50	30		BCEAMO
Cc1[nH]c(C[N@@H+]2CC[C@H](O)[C@H](O)C2)cc1C#N	ZINC000584901636	342713952	/nfs/dbraw/zinc/71/39/52/342713952.db2.gz	OTTMWVPUSZFUFM-NWDGAFQWSA-N	1	1	235.287	0.122	50	30		BCEAMO
Cc1[nH]c(C[N@H+]2CC[C@H](O)[C@H](O)C2)cc1C#N	ZINC000584901636	342713954	/nfs/dbraw/zinc/71/39/54/342713954.db2.gz	OTTMWVPUSZFUFM-NWDGAFQWSA-N	1	1	235.287	0.122	50	30		BCEAMO
C#CCNC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000040466046	538971405	/nfs/dbraw/zinc/97/14/05/538971405.db2.gz	PHNMOGVWAIKIFQ-PHIMTYICSA-N	1	1	208.305	0.714	50	30		BCEAMO
CN(C)c1ccc(C=[NH+]NC(N)=S)cc1	ZINC000016891938	362948317	/nfs/dbraw/zinc/94/83/17/362948317.db2.gz	MUDHKEQEBJQRRG-UHFFFAOYSA-N	1	1	222.317	0.920	50	30		BCEAMO
CC1(C)CN(CCCC#N)CC[N@H+]1CCO	ZINC000225455144	188181526	/nfs/dbraw/zinc/18/15/26/188181526.db2.gz	PVCSGGIYNAJFSE-UHFFFAOYSA-N	1	1	225.336	0.679	50	30		BCEAMO
CC1(C)C[N@H+](CCCC#N)CCN1CCO	ZINC000225455144	188181528	/nfs/dbraw/zinc/18/15/28/188181528.db2.gz	PVCSGGIYNAJFSE-UHFFFAOYSA-N	1	1	225.336	0.679	50	30		BCEAMO
CC[NH+]1CCN(/C(=N\C#N)SC)CC1	ZINC000100782494	353558984	/nfs/dbraw/zinc/55/89/84/353558984.db2.gz	CSBHTLRYDNJPQO-PKNBQFBNSA-N	1	1	212.322	0.824	50	30		BCEAMO
COCCNC(=[NH2+])NC[C@H](C)N(C)C1CC1	ZINC000065532918	361591135	/nfs/dbraw/zinc/59/11/35/361591135.db2.gz	AAASZYZTMLIIOY-VIFPVBQESA-N	1	1	228.340	0.020	50	30		BCEAMO
CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@H](C#N)C1	ZINC000058041236	166656217	/nfs/dbraw/zinc/65/62/17/166656217.db2.gz	HTFUSRKVFAHZAU-SFYZADRCSA-N	1	1	211.265	0.704	50	30		BCEAMO
CCC#CC[N@H+]1CC[C@@H]2OCc3cnnn3[C@H]2C1	ZINC000299782076	384450739	/nfs/dbraw/zinc/45/07/39/384450739.db2.gz	PEPYAZBGFIIZSX-STQMWFEESA-N	1	1	246.314	0.837	50	30		BCEAMO
CNC(=[NH2+])NCCCN1C[C@@H](C)O[C@@H](C)C1	ZINC000058363329	384999087	/nfs/dbraw/zinc/99/90/87/384999087.db2.gz	YZNGQORGEQGOFK-AOOOYVTPSA-N	1	1	228.340	0.020	50	30		BCEAMO
C[N@H+]1CCN(Cc2cccc(C#N)c2)[C@H](CO)C1	ZINC000585117215	386674846	/nfs/dbraw/zinc/67/48/46/386674846.db2.gz	VEAVGKQCXZCOHJ-AWEZNQCLSA-N	1	1	245.326	0.667	50	30		BCEAMO
C=CCOC[C@H](O)CN1CC[NH+](CC)CC1	ZINC000020707215	386722601	/nfs/dbraw/zinc/72/26/01/386722601.db2.gz	WMUURRTYIIIZHC-GFCCVEGCSA-N	1	1	228.336	0.187	50	30		BCEAMO
C[NH+]1CCN(c2cccnc2C#N)CC1	ZINC000129803223	386940641	/nfs/dbraw/zinc/94/06/41/386940641.db2.gz	HBLHAIXRTUQSGQ-UHFFFAOYSA-N	1	1	202.261	0.705	50	30		BCEAMO
C=C(C)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1	ZINC000069322420	388414393	/nfs/dbraw/zinc/41/43/93/388414393.db2.gz	AUMZNEUOBKDCMH-LLVKDONJSA-N	1	1	246.376	0.824	50	30		BCEAMO
C[NH+]1CCN(c2ncccc2C#N)CC1	ZINC000000334968	132313374	/nfs/dbraw/zinc/31/33/74/132313374.db2.gz	HZIUSLVQWZDMIE-UHFFFAOYSA-N	1	1	202.261	0.705	50	30		BCEAMO
Cc1nnc(N2CC[NH+](C)CC2)c(C#N)c1C	ZINC000024052493	132332877	/nfs/dbraw/zinc/33/28/77/132332877.db2.gz	CBAZYTBPSRTRRB-UHFFFAOYSA-N	1	1	231.303	0.717	50	30		BCEAMO
C#CC[NH2+]CC(=O)Nc1ccccc1F	ZINC000020033393	166188210	/nfs/dbraw/zinc/18/82/10/166188210.db2.gz	IBQWGVRJCOGOSL-UHFFFAOYSA-N	1	1	206.220	0.987	50	30		BCEAMO
C=CCC[C@H](O)C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1	ZINC000095966175	166303298	/nfs/dbraw/zinc/30/32/98/166303298.db2.gz	VMOIGEGNYWYMIK-MNOVXSKESA-N	1	1	247.360	0.432	50	30		BCEAMO
C=CCC[C@H](O)C[N@H+](C)[C@@H]1CCS(=O)(=O)C1	ZINC000095966175	166303299	/nfs/dbraw/zinc/30/32/99/166303299.db2.gz	VMOIGEGNYWYMIK-MNOVXSKESA-N	1	1	247.360	0.432	50	30		BCEAMO
CCOC(=O)c1ccc(NC(=N)NC(N)=[NH2+])cc1	ZINC000005575643	170294700	/nfs/dbraw/zinc/29/47/00/170294700.db2.gz	UBTZZZSMYKDIKG-UHFFFAOYSA-N	1	1	249.274	0.293	50	30		BCEAMO
CN(C)/C=[NH+]\c1nonc1-c1ncon1	ZINC000101442005	172352239	/nfs/dbraw/zinc/35/22/39/172352239.db2.gz	KHNPITVUNFXTOI-BAQGIRSFSA-N	1	1	208.181	0.341	50	30		BCEAMO
C[N@H+](CCOc1ccccc1C#N)CC(N)=O	ZINC000037268518	172772176	/nfs/dbraw/zinc/77/21/76/172772176.db2.gz	QQJKGSKLKVGXGM-UHFFFAOYSA-N	1	1	233.271	0.354	50	30		BCEAMO
C[N@@H+](CCOc1ccccc1C#N)CC(N)=O	ZINC000037268518	172772178	/nfs/dbraw/zinc/77/21/78/172772178.db2.gz	QQJKGSKLKVGXGM-UHFFFAOYSA-N	1	1	233.271	0.354	50	30		BCEAMO
C[NH+]1CCN(/C=C/C(=O)C(F)(F)F)CC1	ZINC000025326763	173062462	/nfs/dbraw/zinc/06/24/62/173062462.db2.gz	HFVPPIFYFLQVQL-NSCUHMNNSA-N	1	1	222.210	0.879	50	30		BCEAMO
C[NH+]1CCN(/N=C/c2ccc3c(c2)OCO3)CC1	ZINC000002769297	173063516	/nfs/dbraw/zinc/06/35/16/173063516.db2.gz	FPEPXPHYMKIFAT-NTEUORMPSA-N	1	1	247.298	0.997	50	30		BCEAMO
CNC(=O)[C@H]1C[N@@H+](CCCCC#N)CCO1	ZINC000097082054	173308065	/nfs/dbraw/zinc/30/80/65/173308065.db2.gz	SXLWSRHOWLGEIX-SNVBAGLBSA-N	1	1	225.292	0.127	50	30		BCEAMO
COc1nc(C)nc(Cl)c1NC1=[NH+]CCN1	ZINC000001854466	175392016	/nfs/dbraw/zinc/39/20/16/175392016.db2.gz	WPNJAUFVNXKLIM-UHFFFAOYSA-N	1	1	241.682	0.627	50	30	world	BCEAMO
C[C@@H](O)C[N@H+]1CCN(CCC#N)C[C@@H]1C	ZINC000071876917	177247057	/nfs/dbraw/zinc/24/70/57/177247057.db2.gz	RFXFFUDVOWXMOT-WDEREUQCSA-N	1	1	211.309	0.287	50	30		BCEAMO
CC[C@H](CC#N)NC(=O)[C@@H]1C[N@H+](C)CCO1	ZINC000097140575	631299784	/nfs/dbraw/zinc/29/97/84/631299784.db2.gz	JDPIKBJMFWFWQY-ZJUUUORDSA-N	1	1	225.292	0.125	50	30		BCEAMO
CC[C@H](CC#N)NC(=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000097140575	631299790	/nfs/dbraw/zinc/29/97/90/631299790.db2.gz	JDPIKBJMFWFWQY-ZJUUUORDSA-N	1	1	225.292	0.125	50	30		BCEAMO
C#CC[N@@H+]1CCC=C(CCNC(=O)N(C)C)C1	ZINC000065421206	712392551	/nfs/dbraw/zinc/39/25/51/712392551.db2.gz	NCADIWSJPDLGLR-UHFFFAOYSA-N	1	1	235.331	0.913	50	30		BCEAMO
C[N@H+](CCOc1ccc(C#N)cc1)CC(N)=O	ZINC000037268520	361801202	/nfs/dbraw/zinc/80/12/02/361801202.db2.gz	SAHHBBLFWDOHSJ-UHFFFAOYSA-N	1	1	233.271	0.354	50	30		BCEAMO
C[N@@H+](CCOc1ccc(C#N)cc1)CC(N)=O	ZINC000037268520	361801207	/nfs/dbraw/zinc/80/12/07/361801207.db2.gz	SAHHBBLFWDOHSJ-UHFFFAOYSA-N	1	1	233.271	0.354	50	30		BCEAMO
COCCC[N@H+]1CCCC[C@@H]1/C(N)=N\O	ZINC000070662769	343141906	/nfs/dbraw/zinc/14/19/06/343141906.db2.gz	AOGBHSCFFYQDBU-SECBINFHSA-N	1	1	215.297	0.624	50	30		BCEAMO
CC#CC[N@@H+]1CC[C@]2(C1)NC(=O)N(C(C)C)C2=O	ZINC000084670768	344458685	/nfs/dbraw/zinc/45/86/85/344458685.db2.gz	UJCRYTCGSXHCGP-CYBMUJFWSA-N	1	1	249.314	0.414	50	30		BCEAMO
CC#CC[N@H+]1CC[C@]2(C1)NC(=O)N(C(C)C)C2=O	ZINC000084670768	344458688	/nfs/dbraw/zinc/45/86/88/344458688.db2.gz	UJCRYTCGSXHCGP-CYBMUJFWSA-N	1	1	249.314	0.414	50	30		BCEAMO
C=CCN(C)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000195570702	347647693	/nfs/dbraw/zinc/64/76/93/347647693.db2.gz	HEAPRBFICXDFGQ-GHMZBOCLSA-N	1	1	241.335	0.533	50	30		BCEAMO
C=CCN(C)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000195570702	347647698	/nfs/dbraw/zinc/64/76/98/347647698.db2.gz	HEAPRBFICXDFGQ-GHMZBOCLSA-N	1	1	241.335	0.533	50	30		BCEAMO
Cc1nc(NC(N)=[NH2+])sc1C(=O)OC(C)C	ZINC000014607238	180005050	/nfs/dbraw/zinc/00/50/50/180005050.db2.gz	FOQJWHFASLHYSX-UHFFFAOYSA-N	1	1	242.304	0.922	50	30		BCEAMO
C=CCNC(=O)C[N@H+](CCCO)C(C)C	ZINC000050105513	166365539	/nfs/dbraw/zinc/36/55/39/166365539.db2.gz	YRUBUKBLLJYAPS-UHFFFAOYSA-N	1	1	214.309	0.381	50	30		BCEAMO
C=C(C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC	ZINC000225545090	188180887	/nfs/dbraw/zinc/18/08/87/188180887.db2.gz	MWBIXZBUBSFCGK-LLVKDONJSA-N	1	1	224.352	0.951	50	30		BCEAMO
C[N@H+](CC(N)=O)Cc1cccc(C#N)c1	ZINC000026323169	357022909	/nfs/dbraw/zinc/02/29/09/357022909.db2.gz	OSFRWXBPCCTXIM-UHFFFAOYSA-N	1	1	203.245	0.475	50	30		BCEAMO
C[N@@H+](CC(N)=O)Cc1cccc(C#N)c1	ZINC000026323169	357022912	/nfs/dbraw/zinc/02/29/12/357022912.db2.gz	OSFRWXBPCCTXIM-UHFFFAOYSA-N	1	1	203.245	0.475	50	30		BCEAMO
CN(C[C@H]1CCC[N@H+]1C)c1ncc(C#N)c(N)n1	ZINC000584895051	369042457	/nfs/dbraw/zinc/04/24/57/369042457.db2.gz	SMAANIHKUVHSBC-SNVBAGLBSA-N	1	1	246.318	0.291	50	30		BCEAMO
N#C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CCO1	ZINC000330287465	371234320	/nfs/dbraw/zinc/23/43/20/371234320.db2.gz	BFKXASMDHJINGQ-RYUDHWBXSA-N	1	1	249.314	0.364	50	30		BCEAMO
CN(C)CCO/N=C1\C[NH+]2CCC1CC2	ZINC000004128370	384042374	/nfs/dbraw/zinc/04/23/74/384042374.db2.gz	GZCVZDFSQXKAPH-VAWYXSNFSA-N	1	1	211.309	0.646	50	30		BCEAMO
CC(C)CC12CN3CC(C[N@@H+](C1)CC3)/C2=N/N	ZINC000103709093	384781652	/nfs/dbraw/zinc/78/16/52/384781652.db2.gz	VWJIBSMAKKKTGF-QINSGFPZSA-N	1	1	236.363	0.595	50	30		BCEAMO
N#Cc1ccc(N2CC[N@@H+]3CCOC[C@@H]3C2)cn1	ZINC000364882194	385126435	/nfs/dbraw/zinc/12/64/35/385126435.db2.gz	KTRRHYVCHNUOCT-ZDUSSCGKSA-N	1	1	244.298	0.474	50	30		BCEAMO
N#Cc1ccc(N2CC[N@H+]3CCOC[C@@H]3C2)cn1	ZINC000364882194	385126443	/nfs/dbraw/zinc/12/64/43/385126443.db2.gz	KTRRHYVCHNUOCT-ZDUSSCGKSA-N	1	1	244.298	0.474	50	30		BCEAMO
C[N@H+](CCOc1ccccc1)CC(=O)NCC#N	ZINC000065503633	388036765	/nfs/dbraw/zinc/03/67/65/388036765.db2.gz	ZFUNQIWOJFJEHA-UHFFFAOYSA-N	1	1	247.298	0.637	50	30		BCEAMO
C[N@@H+](CCOc1ccccc1)CC(=O)NCC#N	ZINC000065503633	388036769	/nfs/dbraw/zinc/03/67/69/388036769.db2.gz	ZFUNQIWOJFJEHA-UHFFFAOYSA-N	1	1	247.298	0.637	50	30		BCEAMO
C=C(C)C[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1	ZINC000089914039	388372492	/nfs/dbraw/zinc/37/24/92/388372492.db2.gz	DEAVBWOHEIREQB-JTQLQIEISA-N	1	1	217.334	0.929	50	30		BCEAMO
C=CCNC(=[NH2+])NCCN1CCCC[C@@H]1C	ZINC000058405079	388382676	/nfs/dbraw/zinc/38/26/76/388382676.db2.gz	XNOALOBWTHGATF-NSHDSACASA-N	1	1	224.352	0.951	50	30		BCEAMO
CCNC(NC[C@@H](C1CC1)N(C)C)=[NH+]CC	ZINC000066245669	388657102	/nfs/dbraw/zinc/65/71/02/388657102.db2.gz	AXRVFACNTPITPX-NSHDSACASA-N	1	1	226.368	0.902	50	30		BCEAMO
COCC[NH+]1CCN(c2ccc(C#N)cn2)CC1	ZINC000054369891	132364134	/nfs/dbraw/zinc/36/41/34/132364134.db2.gz	YZGGMIZMDHECRV-UHFFFAOYSA-N	1	1	246.314	0.722	50	30		BCEAMO
C[NH+]1CCN(/N=C/c2cccc(O)c2)CC1	ZINC000005034490	173064780	/nfs/dbraw/zinc/06/47/80/173064780.db2.gz	JYJNBTFKIADKLK-JLHYYAGUSA-N	1	1	219.288	0.974	50	30		BCEAMO
CN1CC[N@@H+](C)C[C@H]1CNc1cc(C#N)ccn1	ZINC000068806342	173075463	/nfs/dbraw/zinc/07/54/63/173075463.db2.gz	XRARYEOLMMTQSW-GFCCVEGCSA-N	1	1	245.330	0.611	50	30		BCEAMO
COCCNC(=[NH2+])NCCN1CCC(C)CC1	ZINC000058380086	174084023	/nfs/dbraw/zinc/08/40/23/174084023.db2.gz	CEFGMFNCARSXDE-UHFFFAOYSA-N	1	1	242.367	0.269	50	30		BCEAMO
COCC[N@H+]1CCN(CCCC#N)C[C@@H]1C	ZINC000069817690	174310750	/nfs/dbraw/zinc/31/07/50/174310750.db2.gz	OGHLXYHNUYTECV-LBPRGKRZSA-N	1	1	225.336	0.943	50	30		BCEAMO
COCCN1CC[N@H+](CCCC#N)C[C@@H]1C	ZINC000069817690	174310752	/nfs/dbraw/zinc/31/07/52/174310752.db2.gz	OGHLXYHNUYTECV-LBPRGKRZSA-N	1	1	225.336	0.943	50	30		BCEAMO
COCCN1CC[N@@H+](CCCC#N)C[C@@H]1C	ZINC000069817690	174310754	/nfs/dbraw/zinc/31/07/54/174310754.db2.gz	OGHLXYHNUYTECV-LBPRGKRZSA-N	1	1	225.336	0.943	50	30		BCEAMO
CNC(NCCN1CCC[C@H](C)C1)=[NH+]C	ZINC000241132867	524038808	/nfs/dbraw/zinc/03/88/08/524038808.db2.gz	JMLXHCXDOSGLPU-JTQLQIEISA-N	1	1	212.341	0.513	50	30		BCEAMO
Cc1cc(O)n(CCC[NH+](C)C)c(=O)c1C#N	ZINC000020649616	178201427	/nfs/dbraw/zinc/20/14/27/178201427.db2.gz	JNWKGIYXOBPFOY-UHFFFAOYSA-N	1	1	235.287	0.686	50	30		BCEAMO
CCN(CCNC(=[NH2+])N[C@@H](C)COC)C(C)C	ZINC000072272566	343127517	/nfs/dbraw/zinc/12/75/17/343127517.db2.gz	GHUHVJHQWMARHI-NSHDSACASA-N	1	1	244.383	0.656	50	30		BCEAMO
C=CCCS(=O)(=O)NC[C@@H]1CCC[N@@H+]1C	ZINC000195578766	347648686	/nfs/dbraw/zinc/64/86/86/347648686.db2.gz	KVWBXVQDPJEBOD-JTQLQIEISA-N	1	1	232.349	0.576	50	30		BCEAMO
C=CC[N@@H+]1CCCN(CC(=O)N(C)C)CC1	ZINC000069438287	166356484	/nfs/dbraw/zinc/35/64/84/166356484.db2.gz	GJRBPCSTDNJGDL-UHFFFAOYSA-N	1	1	225.336	0.268	50	30		BCEAMO
C=CCN1CCC[N@@H+](CC(=O)N(C)C)CC1	ZINC000069438287	166356487	/nfs/dbraw/zinc/35/64/87/166356487.db2.gz	GJRBPCSTDNJGDL-UHFFFAOYSA-N	1	1	225.336	0.268	50	30		BCEAMO
C=CCN1CCC[N@H+](CC(=O)N(C)C)CC1	ZINC000069438287	166356488	/nfs/dbraw/zinc/35/64/88/166356488.db2.gz	GJRBPCSTDNJGDL-UHFFFAOYSA-N	1	1	225.336	0.268	50	30		BCEAMO
N#Cc1nccnc1NCCC[NH+]1CCOCC1	ZINC000054377202	181173933	/nfs/dbraw/zinc/17/39/33/181173933.db2.gz	HJIOIFZCPHYJDI-UHFFFAOYSA-N	1	1	247.302	0.482	50	30		BCEAMO
N=C(NC(N)=[NH2+])Nc1ccccc1Cl	ZINC000016450314	181187610	/nfs/dbraw/zinc/18/76/10/181187610.db2.gz	MKWFJPZMYHPQIA-UHFFFAOYSA-N	1	1	211.656	0.769	50	30		BCEAMO
[NH3+]CCc1nc(NC(=O)c2ccccc2)n[nH]1	ZINC000070461070	384111268	/nfs/dbraw/zinc/11/12/68/384111268.db2.gz	MGBDUACZDUHXBM-UHFFFAOYSA-N	1	1	231.259	0.942	50	30		BCEAMO
C[C@H]1C[N@@H+](C)C[C@H]1NS(=O)(=O)CCCC#N	ZINC000257365892	384299671	/nfs/dbraw/zinc/29/96/71/384299671.db2.gz	AOALFMIDULUKRE-VHSXEESVSA-N	1	1	245.348	0.160	50	30		BCEAMO
CC(C)C[C@H](C#N)C[N@H+]1CC[C@@H](C(N)=O)C1	ZINC000583651365	384857540	/nfs/dbraw/zinc/85/75/40/384857540.db2.gz	LSMNIIGVGNQMAM-GHMZBOCLSA-N	1	1	223.320	0.979	50	30		BCEAMO
COC(=O)[C@H]([NH3+])Cc1ccc(C#N)cc1	ZINC000095639975	385409809	/nfs/dbraw/zinc/40/98/09/385409809.db2.gz	YQFIQNIOQYPOTP-SNVBAGLBSA-N	1	1	204.229	0.601	50	30		BCEAMO
CC(C)C12CN3CC(C[N@@H+](C1)CC3)C2=NO	ZINC000252619095	387486488	/nfs/dbraw/zinc/48/64/88/387486488.db2.gz	LMHINNNBCHWPEB-UHFFFAOYSA-N	1	1	223.320	0.720	50	30		BCEAMO
C[NH+]1CCN(N=Cc2ccc(O)cc2)CC1	ZINC000606347369	388389246	/nfs/dbraw/zinc/38/92/46/388389246.db2.gz	PEJPAXRJHOFVRO-UHFFFAOYSA-N	1	1	219.288	0.974	50	30		BCEAMO
C=C(C)C[N@@H+]1CCO[C@H](Cn2cncn2)C1	ZINC000069878301	388428475	/nfs/dbraw/zinc/42/84/75/388428475.db2.gz	MNBCCWIXFPXOLU-NSHDSACASA-N	1	1	222.292	0.555	50	30		BCEAMO
C=C(C)C[N@H+]1CCO[C@H](Cn2cncn2)C1	ZINC000069878301	388428477	/nfs/dbraw/zinc/42/84/77/388428477.db2.gz	MNBCCWIXFPXOLU-NSHDSACASA-N	1	1	222.292	0.555	50	30		BCEAMO
C[NH+]1CCN(/N=C2/c3ccccc3NC2=O)CC1	ZINC000013775451	173063352	/nfs/dbraw/zinc/06/33/52/173063352.db2.gz	WWLDCSYUVRFJRB-UHFFFAOYSA-N	1	1	244.298	0.590	50	30		BCEAMO
C#CC[N@@H+](CCO)CCOCC(F)(F)F	ZINC000071902330	487521737	/nfs/dbraw/zinc/52/17/37/487521737.db2.gz	POPSVECHKDRTAD-UHFFFAOYSA-N	1	1	225.210	0.493	50	30		BCEAMO
C[C@H](C#N)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C	ZINC000257358026	525921925	/nfs/dbraw/zinc/92/19/25/525921925.db2.gz	RHHGPWPASAXCHJ-GMTAPVOTSA-N	1	1	211.309	0.285	50	30		BCEAMO
C[C@@H]1C/C(=N\NC(N)=S)[C@@H](C)C[N@H+]1C	ZINC000015635765	642922658	/nfs/dbraw/zinc/92/26/58/642922658.db2.gz	YAOJGOYGZHFMHH-IFCYVCEWSA-N	1	1	214.338	0.536	50	30		BCEAMO
C[NH+]1CCN(N=Cc2ccccc2O)CC1	ZINC000383821375	342930615	/nfs/dbraw/zinc/93/06/15/342930615.db2.gz	ISZFNKPDJHLJBH-UHFFFAOYSA-N	1	1	219.288	0.974	50	30		BCEAMO
C=CCCS(=O)(=O)N1CC[NH2+]C[C@@H]1C	ZINC000123508160	166291039	/nfs/dbraw/zinc/29/10/39/166291039.db2.gz	CDKMHRWFHMCXKO-VIFPVBQESA-N	1	1	218.322	0.186	50	30		BCEAMO
N#Cc1ccc(CN2CC[NH2+]CC2=O)cc1	ZINC000051666508	181103393	/nfs/dbraw/zinc/10/33/93/181103393.db2.gz	NNVNYKNBSLCWCD-UHFFFAOYSA-N	1	1	215.256	0.490	50	30		BCEAMO
N#C[C@@H]1CC[C@H]([N@@H+]2CCN3C(=O)NC[C@H]3C2)C1	ZINC000330263723	371232209	/nfs/dbraw/zinc/23/22/09/371232209.db2.gz	WXVHGBFSUXBUBN-VWYCJHECSA-N	1	1	234.303	0.592	50	30		BCEAMO
N#C[C@@H]1CC[C@@H]([N@@H+]2CCN3C(=O)NC[C@@H]3C2)C1	ZINC000330263720	371232286	/nfs/dbraw/zinc/23/22/86/371232286.db2.gz	WXVHGBFSUXBUBN-GMTAPVOTSA-N	1	1	234.303	0.592	50	30		BCEAMO
N#C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CCO1	ZINC000330287464	371234651	/nfs/dbraw/zinc/23/46/51/371234651.db2.gz	BFKXASMDHJINGQ-NWDGAFQWSA-N	1	1	249.314	0.364	50	30		BCEAMO
O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@@H]2CO2)C1	ZINC000000517883	183002391	/nfs/dbraw/zinc/00/23/91/183002391.db2.gz	JVHGRPPYKMTKRC-GRYCIOLGSA-N	1	1	246.310	0.666	50	30		BCEAMO
C/C(=[NH+]\NC(N)=S)c1ccc(N)cc1	ZINC000012403593	384319689	/nfs/dbraw/zinc/31/96/89/384319689.db2.gz	IKXKPKRBUBTOBD-WUXMJOGZSA-N	1	1	208.290	0.826	50	30		BCEAMO
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH3+])C1	ZINC000058041218	384978368	/nfs/dbraw/zinc/97/83/68/384978368.db2.gz	HTFUSRKVFAHZAU-HTQZYQBOSA-N	1	1	211.265	0.704	50	30		BCEAMO
CNC(NC[C@H]1CCC[N@H+]1CC(C)C)=[NH+]C	ZINC000130555931	385261081	/nfs/dbraw/zinc/26/10/81/385261081.db2.gz	WSNRFLWLGJGOSA-LLVKDONJSA-N	1	1	226.368	0.902	50	30		BCEAMO
C[C@H](O)C[N@H+]1CCN(CCC#N)C[C@@H]1C	ZINC000229513452	387175202	/nfs/dbraw/zinc/17/52/02/387175202.db2.gz	RFXFFUDVOWXMOT-QWRGUYRKSA-N	1	1	211.309	0.287	50	30		BCEAMO
CCN(CC)[C@H](C)CNC(=[NH2+])NC1CC1	ZINC000069350415	388414863	/nfs/dbraw/zinc/41/48/63/388414863.db2.gz	ZYCQTBRJYZZGQW-SECBINFHSA-N	1	1	212.341	0.783	50	30		BCEAMO
C=C(C)C[N@@H+](CCOC)[C@@H](C)C(N)=O	ZINC000069538291	388419981	/nfs/dbraw/zinc/41/99/81/388419981.db2.gz	GOBGNBGSDGXKGS-VIFPVBQESA-N	1	1	200.282	0.385	50	30		BCEAMO
C=C(C)C[N@H+](CCOC)[C@@H](C)C(N)=O	ZINC000069538291	388419983	/nfs/dbraw/zinc/41/99/83/388419983.db2.gz	GOBGNBGSDGXKGS-VIFPVBQESA-N	1	1	200.282	0.385	50	30		BCEAMO
C[N@H+]1CCOC[C@H](CNc2cccc(C#N)n2)C1	ZINC000072158824	173100380	/nfs/dbraw/zinc/10/03/80/173100380.db2.gz	MMSJFCNGVWPLPC-LLVKDONJSA-N	1	1	246.314	0.943	50	30		BCEAMO
C=C(Cl)C[N@H+](C)C[C@H](O)CN1CCOCC1	ZINC000083688947	487928028	/nfs/dbraw/zinc/92/80/28/487928028.db2.gz	JKIUYHROVXWCSR-NSHDSACASA-N	1	1	248.754	0.364	50	30		BCEAMO
C=C(Cl)C[N@@H+](C)C[C@H](O)CN1CCOCC1	ZINC000083688947	487928033	/nfs/dbraw/zinc/92/80/33/487928033.db2.gz	JKIUYHROVXWCSR-NSHDSACASA-N	1	1	248.754	0.364	50	30		BCEAMO
C[C@H](O)C[N@H+]1CCN([C@@H](C)CC#N)C[C@H]1C	ZINC000106906606	525776146	/nfs/dbraw/zinc/77/61/46/525776146.db2.gz	NSDFZCDNIWSBSF-TUAOUCFPSA-N	1	1	225.336	0.675	50	30		BCEAMO
CN(C)c1ccc(C=[NH+]NC2=NCCN2)cc1	ZINC000000144978	342677024	/nfs/dbraw/zinc/67/70/24/342677024.db2.gz	MNYUDAUUKWWBLP-OQLLNIDSSA-N	1	1	231.303	0.635	50	30		BCEAMO
C#CCNC(=O)NCC[N@H+](CC)C1CC1	ZINC000171152329	187390620	/nfs/dbraw/zinc/39/06/20/187390620.db2.gz	VJQJIPNPGRJUAI-UHFFFAOYSA-N	1	1	209.293	0.403	50	30		BCEAMO
C=CCN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)C1CCCC1	ZINC000067885286	166311014	/nfs/dbraw/zinc/31/10/14/166311014.db2.gz	DOBCHTFAESQZAF-PWSUYJOCSA-N	1	1	237.347	0.633	50	30		BCEAMO
C=CC(C)(C)OC[C@H](O)C[NH+]1CCOCC1	ZINC000012421365	350669559	/nfs/dbraw/zinc/66/95/59/350669559.db2.gz	RKIOOVIAHRJBEQ-LLVKDONJSA-N	1	1	229.320	0.661	50	30		BCEAMO
NC(=[NH2+])Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-]	ZINC000018192653	181323403	/nfs/dbraw/zinc/32/34/03/181323403.db2.gz	JXLHJJRTUIVGGF-UHFFFAOYSA-N	1	1	225.164	0.408	50	30		BCEAMO
CC(C)C[C@@H](C#N)C[N@H+]1CC[C@@H](C(N)=O)C1	ZINC000583651368	384856220	/nfs/dbraw/zinc/85/62/20/384856220.db2.gz	LSMNIIGVGNQMAM-WDEREUQCSA-N	1	1	223.320	0.979	50	30		BCEAMO
C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1cccc(C#N)c1	ZINC000585116639	386673284	/nfs/dbraw/zinc/67/32/84/386673284.db2.gz	DBIUXBKVCSKCHJ-ZIAGYGMSSA-N	1	1	246.310	0.876	50	30		BCEAMO
C=C(C)C[N@@H+]1CCO[C@@H](Cn2cncn2)C1	ZINC000069878304	388428497	/nfs/dbraw/zinc/42/84/97/388428497.db2.gz	MNBCCWIXFPXOLU-LLVKDONJSA-N	1	1	222.292	0.555	50	30		BCEAMO
C=C(C)C[N@H+]1CCO[C@@H](Cn2cncn2)C1	ZINC000069878304	388428500	/nfs/dbraw/zinc/42/85/00/388428500.db2.gz	MNBCCWIXFPXOLU-LLVKDONJSA-N	1	1	222.292	0.555	50	30		BCEAMO
CC(C)(C#N)C(=O)NCC[N@@H+]1CC=CCC1	ZINC000225432520	388594905	/nfs/dbraw/zinc/59/49/05/388594905.db2.gz	MDZUZVSGTWVDIK-UHFFFAOYSA-N	1	1	221.304	0.914	50	30		BCEAMO
C[NH+]1CCN(N=Cc2ccc(O)c(O)c2)CC1	ZINC000254508378	388808653	/nfs/dbraw/zinc/80/86/53/388808653.db2.gz	LKHYSCOVCGKZAZ-UHFFFAOYSA-N	1	1	235.287	0.679	50	30		BCEAMO
N#Cc1c(F)cccc1N1CC[NH+](CCO)CC1	ZINC000025778679	132333327	/nfs/dbraw/zinc/33/33/27/132333327.db2.gz	KSAXSOJMGINMFO-UHFFFAOYSA-N	1	1	249.289	0.812	50	30		BCEAMO
C=CCN1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1	ZINC000072279750	166356730	/nfs/dbraw/zinc/35/67/30/166356730.db2.gz	YXXZHLQBSBEOQK-NEPJUHHUSA-N	1	1	212.337	0.949	50	30		BCEAMO
CC[C@@H]1CN(CCC#N)CC[N@H+]1CCOC	ZINC000069840479	171077866	/nfs/dbraw/zinc/07/78/66/171077866.db2.gz	MAXCMMLMIYFWFD-GFCCVEGCSA-N	1	1	225.336	0.943	50	30		BCEAMO
COCC[N@H+]1CCN([C@@H](C)CC#N)C[C@@H]1C	ZINC000069972514	174310553	/nfs/dbraw/zinc/31/05/53/174310553.db2.gz	SMLXCXHVPIJQBN-RYUDHWBXSA-N	1	1	225.336	0.941	50	30		BCEAMO
C[C@@H]1C[N@@H+](C)[C@@H](C)C/C1=N\NC(N)=S	ZINC000015635771	642921498	/nfs/dbraw/zinc/92/14/98/642921498.db2.gz	YAOJGOYGZHFMHH-YTDODQQISA-N	1	1	214.338	0.536	50	30		BCEAMO
CO/N=C(\CC(=O)OC)C1=CCC[N@@H+](C)C1	ZINC000096028240	371383722	/nfs/dbraw/zinc/38/37/22/371383722.db2.gz	NRZPNTXUTVLRFL-ZRDIBKRKSA-N	1	1	226.276	0.814	50	30		BCEAMO
O=C(C[NH+]1CCC(=NO)CC1)NC1CC1	ZINC000009156383	181957765	/nfs/dbraw/zinc/95/77/65/181957765.db2.gz	SXLZGZQVANCKNZ-UHFFFAOYSA-N	1	1	211.265	0.191	50	30		BCEAMO
COC(=O)/C(C(C)=O)=C(\C=C\[NH+](C)C)N(C)C	ZINC000018212538	384503732	/nfs/dbraw/zinc/50/37/32/384503732.db2.gz	SFNDNKOGIYSSQY-ZDVGBALWSA-N	1	1	240.303	0.639	50	30		BCEAMO
C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1cccc(C#N)c1	ZINC000585116637	386673305	/nfs/dbraw/zinc/67/33/05/386673305.db2.gz	DBIUXBKVCSKCHJ-KGLIPLIRSA-N	1	1	246.310	0.876	50	30		BCEAMO
C=CCOC[C@@H](O)CN1CC[NH+](CC)CC1	ZINC000020707219	386722663	/nfs/dbraw/zinc/72/26/63/386722663.db2.gz	WMUURRTYIIIZHC-LBPRGKRZSA-N	1	1	228.336	0.187	50	30		BCEAMO
C=CCOC(=O)CC[C@H]([NH3+])C(=O)OCC=C	ZINC000034620507	387123829	/nfs/dbraw/zinc/12/38/29/387123829.db2.gz	JQTAOTLIRWYSFQ-VIFPVBQESA-N	1	1	227.260	0.552	50	30		BCEAMO
C[C@@H](O)C[N@H+]1CCN(CCC#N)C[C@H]1C	ZINC000071876916	388447520	/nfs/dbraw/zinc/44/75/20/388447520.db2.gz	RFXFFUDVOWXMOT-GHMZBOCLSA-N	1	1	211.309	0.287	50	30		BCEAMO
C=CCCS(=O)(=O)N1CC([NH+](C)C)C1	ZINC000096010033	166289342	/nfs/dbraw/zinc/28/93/42/166289342.db2.gz	YGRHEFHOLCZINI-UHFFFAOYSA-N	1	1	218.322	0.138	50	30		BCEAMO
C=CC[NH+]1CCC(N(CC)S(C)(=O)=O)CC1	ZINC000089960927	166351894	/nfs/dbraw/zinc/35/18/94/166351894.db2.gz	YADPBISXFIABLW-UHFFFAOYSA-N	1	1	246.376	0.918	50	30		BCEAMO
COc1cccc(C=NN2CC[NH+](C)CC2)c1O	ZINC000606347367	411187269	/nfs/dbraw/zinc/18/72/69/411187269.db2.gz	MRXTUWSHTCBNAV-UHFFFAOYSA-N	1	1	249.314	0.982	50	30		BCEAMO
CCOC(=O)c1sc(NC(N)=[NH2+])nc1C	ZINC000019702520	170310814	/nfs/dbraw/zinc/31/08/14/170310814.db2.gz	HYYMOZMJVDQRAO-UHFFFAOYSA-N	1	1	228.277	0.533	50	30		BCEAMO
C=CC[N@H+]1CCC[C@H]1C(=O)NCCc1cc[nH]n1	ZINC000534653090	323157678	/nfs/dbraw/zinc/15/76/78/323157678.db2.gz	SCZGAPXAZXHKNC-LBPRGKRZSA-N	1	1	248.330	0.719	50	30		BCEAMO
C=CCC[C@H](O)C[N@@H+](C)[C@H]1CCS(=O)(=O)C1	ZINC000246057272	518721251	/nfs/dbraw/zinc/72/12/51/518721251.db2.gz	VMOIGEGNYWYMIK-QWRGUYRKSA-N	1	1	247.360	0.432	50	30		BCEAMO
C=CCC[C@H](O)C[N@H+](C)[C@H]1CCS(=O)(=O)C1	ZINC000246057272	518721254	/nfs/dbraw/zinc/72/12/54/518721254.db2.gz	VMOIGEGNYWYMIK-QWRGUYRKSA-N	1	1	247.360	0.432	50	30		BCEAMO
C=CCN1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1	ZINC000106906792	518866048	/nfs/dbraw/zinc/86/60/48/518866048.db2.gz	YXXZHLQBSBEOQK-NWDGAFQWSA-N	1	1	212.337	0.949	50	30		BCEAMO
CC[C@@H]1CN(CC#N)CC[N@H+]1C[C@H](C)O	ZINC000106906745	523431777	/nfs/dbraw/zinc/43/17/77/523431777.db2.gz	SAKWPOCKIUDFQJ-WDEREUQCSA-N	1	1	211.309	0.287	50	30		BCEAMO
C[NH+]=C(NCCN(C)C(C)C)NC1CC1	ZINC000252481429	398342835	/nfs/dbraw/zinc/34/28/35/398342835.db2.gz	CLSSQEWMPMSVHD-UHFFFAOYSA-N	1	1	212.341	0.654	50	30		BCEAMO
N#CCC[N@@H+]1CCC[C@@H](C2OCCO2)C1	ZINC000044124679	343492049	/nfs/dbraw/zinc/49/20/49/343492049.db2.gz	KHQCFRTUHVZNBP-SNVBAGLBSA-N	1	1	210.277	0.985	50	30		BCEAMO
N#CCC[N@H+]1CCC[C@@H](C2OCCO2)C1	ZINC000044124679	343492053	/nfs/dbraw/zinc/49/20/53/343492053.db2.gz	KHQCFRTUHVZNBP-SNVBAGLBSA-N	1	1	210.277	0.985	50	30		BCEAMO
C=CCN(C)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000195570697	347648133	/nfs/dbraw/zinc/64/81/33/347648133.db2.gz	HEAPRBFICXDFGQ-MNOVXSKESA-N	1	1	241.335	0.533	50	30		BCEAMO
C=CCN(C)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000195570697	347648134	/nfs/dbraw/zinc/64/81/34/347648134.db2.gz	HEAPRBFICXDFGQ-MNOVXSKESA-N	1	1	241.335	0.533	50	30		BCEAMO
C=C(Cl)C[NH+]1CCC(C(N)=O)CC1	ZINC000048368157	353156966	/nfs/dbraw/zinc/15/69/66/353156966.db2.gz	NBMXVDUMCFCJDG-UHFFFAOYSA-N	1	1	202.685	0.936	50	30		BCEAMO
C=C(C)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1	ZINC000069322429	188129559	/nfs/dbraw/zinc/12/95/59/188129559.db2.gz	AUMZNEUOBKDCMH-NSHDSACASA-N	1	1	246.376	0.824	50	30		BCEAMO
N#Cc1cc(C[NH2+]C2(C(N)=O)CC2)ccc1F	ZINC000097110460	181086427	/nfs/dbraw/zinc/08/64/27/181086427.db2.gz	XJCTWODFMVIWCD-UHFFFAOYSA-N	1	1	233.246	0.805	50	30		BCEAMO
N=C(NC(N)=[NH2+])Nc1cc(F)cc(F)c1	ZINC000002243313	181188027	/nfs/dbraw/zinc/18/80/27/181188027.db2.gz	AMGKKUWXIHUMII-UHFFFAOYSA-N	1	1	213.191	0.394	50	30		BCEAMO
CC#CC[N@H+](C)C1CCS(=O)(=O)CC1	ZINC000170648749	363551786	/nfs/dbraw/zinc/55/17/86/363551786.db2.gz	PFUSCIQPWKGDKP-UHFFFAOYSA-N	1	1	215.318	0.519	50	30		BCEAMO
CC#CC[N@@H+](C)C1CCS(=O)(=O)CC1	ZINC000170648749	363551788	/nfs/dbraw/zinc/55/17/88/363551788.db2.gz	PFUSCIQPWKGDKP-UHFFFAOYSA-N	1	1	215.318	0.519	50	30		BCEAMO
N#C[C@@H]1CC[C@@H]([N@@H+]2CCN3C(=O)NC[C@H]3C2)C1	ZINC000330263721	371232415	/nfs/dbraw/zinc/23/24/15/371232415.db2.gz	WXVHGBFSUXBUBN-MXWKQRLJSA-N	1	1	234.303	0.592	50	30		BCEAMO
N#C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CCO1	ZINC000330287463	371234689	/nfs/dbraw/zinc/23/46/89/371234689.db2.gz	BFKXASMDHJINGQ-NEPJUHHUSA-N	1	1	249.314	0.364	50	30		BCEAMO
C=C(C)C[N@@H+]1CCCN(CC(=O)N(C)C)CC1	ZINC000069452652	384137320	/nfs/dbraw/zinc/13/73/20/384137320.db2.gz	AKNJXQFQEMQTMZ-UHFFFAOYSA-N	1	1	239.363	0.658	50	30		BCEAMO
N#CCC[N@@H+]1CCC[C@H](C2OCCO2)C1	ZINC000044124675	384313862	/nfs/dbraw/zinc/31/38/62/384313862.db2.gz	KHQCFRTUHVZNBP-JTQLQIEISA-N	1	1	210.277	0.985	50	30		BCEAMO
N#CCC[N@H+]1CCC[C@H](C2OCCO2)C1	ZINC000044124675	384313867	/nfs/dbraw/zinc/31/38/67/384313867.db2.gz	KHQCFRTUHVZNBP-JTQLQIEISA-N	1	1	210.277	0.985	50	30		BCEAMO
C[C@@H](O)C[NH+]1CCC(CN(C)CCC#N)CC1	ZINC000069896969	384816825	/nfs/dbraw/zinc/81/68/25/384816825.db2.gz	QPNLROHSPJJGOY-GFCCVEGCSA-N	1	1	239.363	0.925	50	30		BCEAMO
CC(C)C[C@H](C#N)C[N@H+]1CC[C@H](C(N)=O)C1	ZINC000583651366	384855527	/nfs/dbraw/zinc/85/55/27/384855527.db2.gz	LSMNIIGVGNQMAM-MNOVXSKESA-N	1	1	223.320	0.979	50	30		BCEAMO
C=CCOC(=O)N1CCN2CC[N@@H+](C)C[C@H]2C1	ZINC000065375677	386641026	/nfs/dbraw/zinc/64/10/26/386641026.db2.gz	MIUCDHPISTZPRX-NSHDSACASA-N	1	1	239.319	0.241	50	30		BCEAMO
C=CCOC(=O)N1CCN2CC[N@H+](C)C[C@H]2C1	ZINC000065375677	386641033	/nfs/dbraw/zinc/64/10/33/386641033.db2.gz	MIUCDHPISTZPRX-NSHDSACASA-N	1	1	239.319	0.241	50	30		BCEAMO
CN(C)C=[NH+]c1nonc1-c1ncon1	ZINC000252616875	387486584	/nfs/dbraw/zinc/48/65/84/387486584.db2.gz	KHNPITVUNFXTOI-UHFFFAOYSA-N	1	1	208.181	0.341	50	30		BCEAMO
CCNC(NC[C@H](C1CC1)N(C)C)=[NH+]CC	ZINC000066245670	388657168	/nfs/dbraw/zinc/65/71/68/388657168.db2.gz	AXRVFACNTPITPX-LLVKDONJSA-N	1	1	226.368	0.902	50	30		BCEAMO
C#CC(C)(C)OC[C@H](O)CN1CC[NH+](C)CC1	ZINC000022916826	166113981	/nfs/dbraw/zinc/11/39/81/166113981.db2.gz	RHQDRLBJRBYJPS-GFCCVEGCSA-N	1	1	240.347	0.023	50	30		BCEAMO
C=CCC[N@@H+]1CCO[C@@H](CC(=O)OC)C1	ZINC000089400687	166265018	/nfs/dbraw/zinc/26/50/18/166265018.db2.gz	FYLWCKJCBSJTPO-JTQLQIEISA-N	1	1	213.277	0.826	50	30		BCEAMO
C=CCC[N@H+]1CCO[C@@H](CC(=O)OC)C1	ZINC000089400687	166265021	/nfs/dbraw/zinc/26/50/21/166265021.db2.gz	FYLWCKJCBSJTPO-JTQLQIEISA-N	1	1	213.277	0.826	50	30		BCEAMO
C=CCC[C@@H](O)C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1	ZINC000095966174	166297299	/nfs/dbraw/zinc/29/72/99/166297299.db2.gz	VMOIGEGNYWYMIK-GHMZBOCLSA-N	1	1	247.360	0.432	50	30		BCEAMO
C=CCC[C@@H](O)C[N@H+](C)[C@@H]1CCS(=O)(=O)C1	ZINC000095966174	166297301	/nfs/dbraw/zinc/29/73/01/166297301.db2.gz	VMOIGEGNYWYMIK-GHMZBOCLSA-N	1	1	247.360	0.432	50	30		BCEAMO
CCn1cc(C[N@@H+]2CCOC[C@H](O)C2)cc1C#N	ZINC000077487429	172164300	/nfs/dbraw/zinc/16/43/00/172164300.db2.gz	ZBDVLNHIFHEBQA-CYBMUJFWSA-N	1	1	249.314	0.573	50	30		BCEAMO
CCn1cc(C[N@H+]2CCOC[C@H](O)C2)cc1C#N	ZINC000077487429	172164302	/nfs/dbraw/zinc/16/43/02/172164302.db2.gz	ZBDVLNHIFHEBQA-CYBMUJFWSA-N	1	1	249.314	0.573	50	30		BCEAMO
CN(C)/C=[NH+]/c1c(C#N)nnc2ccnn21	ZINC000100097178	172352247	/nfs/dbraw/zinc/35/22/47/172352247.db2.gz	HWZDNJBEAPVJPG-IZZDOVSWSA-N	1	1	215.220	0.217	50	30		BCEAMO
Cn1ncc(C#N)c1/N=C/N1CC[NH+](C)CC1	ZINC000004278385	173065419	/nfs/dbraw/zinc/06/54/19/173065419.db2.gz	RXZAFDNTQVGKFZ-UKTHLTGXSA-N	1	1	232.291	0.199	50	30		BCEAMO
Cn1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1C#N	ZINC000194542143	173196644	/nfs/dbraw/zinc/19/66/44/173196644.db2.gz	IMLQSIAYSLDKOC-BETUJISGSA-N	1	1	244.342	0.890	50	30		BCEAMO
CNC(=O)[C@@H]1C[N@@H+](CCCCC#N)CCO1	ZINC000097082053	173299984	/nfs/dbraw/zinc/29/99/84/173299984.db2.gz	SXLWSRHOWLGEIX-JTQLQIEISA-N	1	1	225.292	0.127	50	30		BCEAMO
C=CCC[C@@H](O)C[N@@H+](C)[C@H]1CCS(=O)(=O)C1	ZINC000246057287	518714401	/nfs/dbraw/zinc/71/44/01/518714401.db2.gz	VMOIGEGNYWYMIK-WDEREUQCSA-N	1	1	247.360	0.432	50	30		BCEAMO
C=CCC[C@@H](O)C[N@H+](C)[C@H]1CCS(=O)(=O)C1	ZINC000246057287	518714408	/nfs/dbraw/zinc/71/44/08/518714408.db2.gz	VMOIGEGNYWYMIK-WDEREUQCSA-N	1	1	247.360	0.432	50	30		BCEAMO