smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H](C)[C@@H](N)C#CC(=O)OC(C)(C)C	ZINC000685953430	538898299	/nfs/dbraw/zinc/89/82/99/538898299.db2.gz	MKVHKXDMVNIYON-ZJUUUORDSA-N	0	3	211.305	1.705	10	30		BDEEHN
C=CC(=O)[C@@H](N)[C@H](C)OCc1ccccc1	ZINC000685961622	538908819	/nfs/dbraw/zinc/90/88/19/538908819.db2.gz	MGDYSIMJFMKNCM-GWCFXTLKSA-N	0	3	219.284	1.674	10	30		BDEEHN
CC(C)(C)OC(=O)C#C[C@H](N)C1CCC1	ZINC000685953011	538896803	/nfs/dbraw/zinc/89/68/03/538896803.db2.gz	IQOMWXQKRCQSON-JTQLQIEISA-N	0	3	209.289	1.459	10	30		BDEEHN
N#Cc1cnccc1[C@H]1CCNC[C@@H]1F	ZINC000098091643	187328292	/nfs/dbraw/zinc/32/82/92/187328292.db2.gz	LOHFWBVSRHAFSN-MNOVXSKESA-N	0	3	205.236	1.368	10	30		BDEEHN
N#C[C@H]1CCC[C@H]1NC1CCN(C2CC2)CC1	ZINC000310323437	136220592	/nfs/dbraw/zinc/22/05/92/136220592.db2.gz	ZMWOHVNIKOYKLY-BXUZGUMPSA-N	0	3	233.359	1.895	10	30		BDEEHN
N#Cc1cccc([C@H]2CCN(CCO)C2)c1	ZINC000616612977	349590485	/nfs/dbraw/zinc/59/04/85/349590485.db2.gz	FJKNMPOAKRHNNE-ZDUSSCGKSA-N	0	3	216.284	1.340	10	30		BDEEHN
CN(C)[C@H]1CCN(C(=O)C2(C#N)CCCCC2)C1	ZINC000071139970	361960333	/nfs/dbraw/zinc/96/03/33/361960333.db2.gz	HSJJWPRIACOFJK-LBPRGKRZSA-N	0	3	249.358	1.623	10	30		BDEEHN
C#CCOc1c(CNC)cccc1OCC	ZINC000037704853	187230189	/nfs/dbraw/zinc/23/01/89/187230189.db2.gz	HVTFENUCSPGRBF-UHFFFAOYSA-N	0	3	219.284	1.817	10	30		BDEEHN
CN(C)C(=O)CCCN[C@@H]1CCC[C@H]1C#N	ZINC000309977158	343124517	/nfs/dbraw/zinc/12/45/17/343124517.db2.gz	UELALRWPSKLAOY-WDEREUQCSA-N	0	3	223.320	1.137	10	30		BDEEHN
C=C[C@@H](OC)[C@H](N)c1ccc(OC)cc1	ZINC000238397988	343255593	/nfs/dbraw/zinc/25/55/93/343255593.db2.gz	CCTGPWOOFSHIEI-VXGBXAGGSA-N	0	3	207.273	1.896	10	30		BDEEHN
C[C@@H]1CO[C@H](c2ccc(C#N)cc2)CN1	ZINC000036673398	187250073	/nfs/dbraw/zinc/25/00/73/187250073.db2.gz	MVERVMLJBAMJOF-SKDRFNHKSA-N	0	3	202.257	1.608	10	30		BDEEHN
C=C(C)CN(CC)C(=O)C1(N)CCCC1	ZINC000037479423	187251922	/nfs/dbraw/zinc/25/19/22/187251922.db2.gz	ZCROQPYAHHZUES-UHFFFAOYSA-N	0	3	210.321	1.683	10	30		BDEEHN
C=CC(=O)Nc1sc2c(c1C#N)CCNC2	ZINC000036269560	187258685	/nfs/dbraw/zinc/25/86/85/187258685.db2.gz	UJQLYJKUDPTJTL-UHFFFAOYSA-N	0	3	233.296	1.390	10	30		BDEEHN
C[C@H](N)c1ccccc1OCC(=O)NCCC#N	ZINC000037697683	187260312	/nfs/dbraw/zinc/26/03/12/187260312.db2.gz	QTACKKGLFDNAIT-JTQLQIEISA-N	0	3	247.298	1.115	10	30		BDEEHN
COc1ccc([C@H](C#N)NCCN(C)C)cc1O	ZINC000037940684	187261597	/nfs/dbraw/zinc/26/15/97/187261597.db2.gz	FXGYZEGJELUFOI-NSHDSACASA-N	0	3	249.314	1.117	10	30		BDEEHN
CC(C)N1CCC(C#N)(NCC(F)(F)F)CC1	ZINC000037970921	187262319	/nfs/dbraw/zinc/26/23/19/187262319.db2.gz	LWMJDLFBRJAOFM-UHFFFAOYSA-N	0	3	249.280	1.905	10	30		BDEEHN
CC(C)OCc1cc(C#CCN)cs1	ZINC000043689317	343701094	/nfs/dbraw/zinc/70/10/94/343701094.db2.gz	RBYMVUHXIMHWKT-UHFFFAOYSA-N	0	3	209.314	1.983	10	30		BDEEHN
N#C[C@@H](c1ccc(Cl)cc1)N1CC(N)C1	ZINC000409440858	343856137	/nfs/dbraw/zinc/85/61/37/343856137.db2.gz	MLDFXCMYVOIGKS-NSHDSACASA-N	0	3	221.691	1.548	10	30		BDEEHN
C#CCNC[C@H]1CCCN1C(=O)OC(C)(C)C	ZINC000165619436	343937905	/nfs/dbraw/zinc/93/79/05/343937905.db2.gz	DFQZCAYJJOSTOK-LLVKDONJSA-N	0	3	238.331	1.609	10	30		BDEEHN
Cn1ccnc1CCNCC#Cc1ccccc1	ZINC000051814407	187357673	/nfs/dbraw/zinc/35/76/73/187357673.db2.gz	OICZQKFTYDNSAP-UHFFFAOYSA-N	0	3	239.322	1.604	10	30		BDEEHN
CC#CCN1C[C@@H]2CCCCN2C[C@@H]1C	ZINC000126260923	344172694	/nfs/dbraw/zinc/17/26/94/344172694.db2.gz	ZEHCVNWQURHHJP-STQMWFEESA-N	0	3	206.333	1.568	10	30		BDEEHN
CCN1CC[C@H](Nc2nc(C)cc(C#N)n2)C1	ZINC000389360906	344495748	/nfs/dbraw/zinc/49/57/48/344495748.db2.gz	XHQMBFQSUCJRRG-JTQLQIEISA-N	0	3	231.303	1.163	10	30		BDEEHN
Cc1ccc([C@@H](C)NC(=O)C(C)C#N)o1	ZINC000044825357	344551311	/nfs/dbraw/zinc/55/13/11/344551311.db2.gz	TYRFXWGGBXJFJW-VXNVDRBHSA-N	0	3	206.245	1.925	10	30		BDEEHN
C=C(C)C[C@@H](C)C(=O)N1CCN2CCC[C@H]2C1	ZINC000248603865	345431338	/nfs/dbraw/zinc/43/13/38/345431338.db2.gz	BPZWQLRSRBGXPJ-OLZOCXBDSA-N	0	3	236.359	1.895	10	30		BDEEHN
C=CCNC[C@@H](C)Sc1nnc2ccccn21	ZINC000061409128	187361463	/nfs/dbraw/zinc/36/14/63/187361463.db2.gz	SEUZDOIBWWZONH-SNVBAGLBSA-N	0	3	248.355	1.986	10	30		BDEEHN
CC(=O)N1CCC[C@H]1C#CCN1CCCC1	ZINC000004631809	187363792	/nfs/dbraw/zinc/36/37/92/187363792.db2.gz	JNDOCQKNQCJTBA-CYBMUJFWSA-N	0	3	220.316	1.097	10	30		BDEEHN
C[C@@H](N)C#Cc1occc1Br	ZINC000166996672	346180872	/nfs/dbraw/zinc/18/08/72/346180872.db2.gz	OCYBSILCNGNXLM-ZCFIWIBFSA-N	0	3	214.062	1.741	10	30		BDEEHN
N#Cc1sc(NC2CNC2)nc1Cl	ZINC000236075517	346189034	/nfs/dbraw/zinc/18/90/34/346189034.db2.gz	RTACYUCKNJJRID-UHFFFAOYSA-N	0	3	214.681	1.052	10	30		BDEEHN
C#C[C@H](N)[C@H]1CSc2ccccc2O1	ZINC000236290283	346221263	/nfs/dbraw/zinc/22/12/63/346221263.db2.gz	GJGHCRNMWQPEIT-WCBMZHEXSA-N	0	3	205.282	1.500	10	30		BDEEHN
C=CCCO[C@@H](C)C(=O)N1CC[C@H](N(C)C)C1	ZINC000170854925	346463126	/nfs/dbraw/zinc/46/31/26/346463126.db2.gz	CXKULUWQXOOPMI-RYUDHWBXSA-N	0	3	240.347	1.130	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1NCCCn1ccnc1	ZINC000309544863	347097549	/nfs/dbraw/zinc/09/75/49/347097549.db2.gz	ZKHYABKUYPREBF-RYUDHWBXSA-N	0	3	218.304	1.555	10	30		BDEEHN
C[C@@H](CCC#N)N1CC[C@H](N2CCOCC2)C1	ZINC000593014332	347844662	/nfs/dbraw/zinc/84/46/62/347844662.db2.gz	IPDPAXXBILPXPM-STQMWFEESA-N	0	3	237.347	1.085	10	30		BDEEHN
CC#CCN(C)[C@H]1CCCN(c2cccnn2)C1	ZINC000119108423	348200149	/nfs/dbraw/zinc/20/01/49/348200149.db2.gz	LLGWERHINXWCAQ-ZDUSSCGKSA-N	0	3	244.342	1.401	10	30		BDEEHN
CCN1CC[C@H](NC(=O)C2(C#N)CCCCC2)C1	ZINC000334576735	350694775	/nfs/dbraw/zinc/69/47/75/350694775.db2.gz	CJUYYWSDQFUVAI-LBPRGKRZSA-N	0	3	249.358	1.671	10	30		BDEEHN
N#C[C@H]1CCCC[C@H]1NCCC1(O)CCC1	ZINC000397668310	350959712	/nfs/dbraw/zinc/95/97/12/350959712.db2.gz	MIABMHDQBJOZTK-VXGBXAGGSA-N	0	3	222.332	1.963	10	30		BDEEHN
CCN1CCNC[C@H]1c1ccccc1C#N	ZINC000616636505	351127126	/nfs/dbraw/zinc/12/71/26/351127126.db2.gz	CJUWRHBMNKHNHX-ZDUSSCGKSA-N	0	3	215.300	1.524	10	30		BDEEHN
CN=C(NC)Nc1cnn(Cc2ccccc2)c1	ZINC000307015795	351421868	/nfs/dbraw/zinc/42/18/68/351421868.db2.gz	OCWJDHOHESRQOS-UHFFFAOYSA-N	0	3	243.314	1.549	10	30		BDEEHN
C#CCNCc1ccc2c(c1)OCCO2	ZINC000020084675	188005772	/nfs/dbraw/zinc/00/57/72/188005772.db2.gz	WVTWBJKBDDMOTR-UHFFFAOYSA-N	0	3	203.241	1.181	10	30		BDEEHN
C=C(Br)CN[C@H]1CCN(C)C1	ZINC000042546879	188042896	/nfs/dbraw/zinc/04/28/96/188042896.db2.gz	WIEFQNSLSXLHCF-QMMMGPOBSA-N	0	3	219.126	1.189	10	30		BDEEHN
N#CC1(Nc2cccc(F)c2)CCNCC1	ZINC000040695147	181030908	/nfs/dbraw/zinc/03/09/08/181030908.db2.gz	VNQLLJFBEGNCEK-UHFFFAOYSA-N	0	3	219.263	1.883	10	30		BDEEHN
N#C[C@H]1CCCC[C@H]1NC1CCOCC1	ZINC000054825376	181068415	/nfs/dbraw/zinc/06/84/15/181068415.db2.gz	AUPAOICEMUUJJR-ZYHUDNBSSA-N	0	3	208.305	1.837	10	30		BDEEHN
N#C[C@H]1CCC[C@H]1NCC1CCOCC1	ZINC000061892670	181069870	/nfs/dbraw/zinc/06/98/70/181069870.db2.gz	WLVKPYDSLCSZDB-VXGBXAGGSA-N	0	3	208.305	1.695	10	30		BDEEHN
N#Cc1cccc(CN[C@H]2CCC[C@H]2O)c1	ZINC000037749343	181138326	/nfs/dbraw/zinc/13/83/26/181138326.db2.gz	RBMLMCSERKBPFS-QWHCGFSZSA-N	0	3	216.284	1.561	10	30		BDEEHN
C[C@@H]1OCC[C@H]1NCc1cc(C#N)cs1	ZINC000134242167	355003879	/nfs/dbraw/zinc/00/38/79/355003879.db2.gz	GBZSLFHWTLGGQI-GZMMTYOYSA-N	0	3	222.313	1.887	10	30		BDEEHN
CCN1CCC[C@@H]1CN(C)c1ccncc1C#N	ZINC000399374764	356477854	/nfs/dbraw/zinc/47/78/54/356477854.db2.gz	AVGPXEYLJYLPDM-CYBMUJFWSA-N	0	3	244.342	1.874	10	30		BDEEHN
N#C[C@H]1CCC[C@@H]1NC(=O)C12CCCN1CCC2	ZINC000336450702	134147349	/nfs/dbraw/zinc/14/73/49/134147349.db2.gz	GURNTVDTPSGKJP-NEPJUHHUSA-N	0	3	247.342	1.423	10	30		BDEEHN
C#CCC1=C[C@@H](N)CN(C(=O)OC(C)(C)C)C1	ZINC000675077191	538512075	/nfs/dbraw/zinc/51/20/75/538512075.db2.gz	AJDLTWRXVZFCTI-LLVKDONJSA-N	0	3	236.315	1.514	10	30		BDEEHN
C=C(C)CN(CC)[C@@H]1CCCCNC1=O	ZINC000193119328	357861307	/nfs/dbraw/zinc/86/13/07/357861307.db2.gz	KIPNWHIZTSNBFP-LLVKDONJSA-N	0	3	210.321	1.553	10	30		BDEEHN
C=C[C@](C)(CC)C(=O)N1CC[C@H](N(C)C)C1	ZINC000135017215	358816560	/nfs/dbraw/zinc/81/65/60/358816560.db2.gz	QRFVDQFPALHICI-WCQYABFASA-N	0	3	224.348	1.751	10	30		BDEEHN
CS[C@@H]1CCC[C@@H]1NC(=O)C(C)C#N	ZINC000300357777	358970802	/nfs/dbraw/zinc/97/08/02/358970802.db2.gz	PKMYKNYLCPFBGK-HRDYMLBCSA-N	0	3	212.318	1.546	10	30		BDEEHN
N[C@@H](C#Cc1ccccc1)CC1OCCO1	ZINC000306156961	358947684	/nfs/dbraw/zinc/94/76/84/358947684.db2.gz	MOLCEVFCXQIJHD-LBPRGKRZSA-N	0	3	217.268	1.128	10	30		BDEEHN
C=C(C)CN1C[C@@H](C)[C@H](N2CCOCC2)C1	ZINC000246548324	359145701	/nfs/dbraw/zinc/14/57/01/359145701.db2.gz	TYPLBJMMKPVTOO-CHWSQXEVSA-N	0	3	224.348	1.215	10	30		BDEEHN
C=C(Cl)CN1C[C@@H]2CCCN2C[C@H]1C	ZINC000247463207	359222678	/nfs/dbraw/zinc/22/26/78/359222678.db2.gz	RAMNDJLSLMMNLA-MNOVXSKESA-N	0	3	214.740	1.907	10	30		BDEEHN
C[C@H](CS)CN1CCO[C@@H](C)[C@H]1C	ZINC000306557208	360430224	/nfs/dbraw/zinc/43/02/24/360430224.db2.gz	NOTASFJJNYPKQC-AEJSXWLSSA-N	0	3	203.351	1.662	10	30		BDEEHN
N#Cc1nc(CN)ccc1OC(F)(F)F	ZINC000238682376	361177759	/nfs/dbraw/zinc/17/77/59/361177759.db2.gz	MQVHBJPCWGZELV-UHFFFAOYSA-N	0	3	217.150	1.311	10	30		BDEEHN
NCC#Cc1ccc(Cl)c(NC(N)=O)c1	ZINC000061692065	181345639	/nfs/dbraw/zinc/34/56/39/181345639.db2.gz	AYECDFUXSFCGBZ-UHFFFAOYSA-N	0	3	223.663	1.141	10	30		BDEEHN
NCC#Cc1cc(CN2CCOC2=O)ccc1F	ZINC000049610128	181345937	/nfs/dbraw/zinc/34/59/37/181345937.db2.gz	PUKWCXKPOBZCRA-UHFFFAOYSA-N	0	3	248.257	1.088	10	30		BDEEHN
NCC#Cc1ccc(Cn2cccn2)cc1	ZINC000049610051	181346738	/nfs/dbraw/zinc/34/67/38/181346738.db2.gz	XTHNVZZTLRVISR-UHFFFAOYSA-N	0	3	211.268	1.242	10	30		BDEEHN
NCC(=O)N1CCC2(C1)CCC(CS)CC2	ZINC000095077467	181347256	/nfs/dbraw/zinc/34/72/56/181347256.db2.gz	ZPADZXVEUAWXHS-UHFFFAOYSA-N	0	3	242.388	1.284	10	30		BDEEHN
NCC#Cc1ccccc1CSc1nc[nH]n1	ZINC000049611298	181348317	/nfs/dbraw/zinc/34/83/17/181348317.db2.gz	GAGCPEONYAIUPI-UHFFFAOYSA-N	0	3	244.323	1.407	10	30		BDEEHN
CN(C)C(=O)CCCN[C@H]1CCCC[C@@H]1C#N	ZINC000390264884	371192752	/nfs/dbraw/zinc/19/27/52/371192752.db2.gz	PKWAPORAPHFGBI-NEPJUHHUSA-N	0	3	237.347	1.527	10	30		BDEEHN
COC(=O)[C@@H]1CCCN(CC2(CC#N)CC2)C1	ZINC000157173111	371532256	/nfs/dbraw/zinc/53/22/56/371532256.db2.gz	ZRGHZYKNQSRXRF-LLVKDONJSA-N	0	3	236.315	1.565	10	30		BDEEHN
O=C[C@@H]1CCCCN1[C@@H]1CCCC[C@@H]1O	ZINC000227223733	371805921	/nfs/dbraw/zinc/80/59/21/371805921.db2.gz	IFYQILGSUMGCNU-TUAOUCFPSA-N	0	3	211.305	1.343	10	30		BDEEHN
N/N=C(/NC1CCCC1)[C@H]1CCSC1	ZINC000070005314	374109683	/nfs/dbraw/zinc/10/96/83/374109683.db2.gz	MMUIMDZOBIJQHC-QMMMGPOBSA-N	0	3	213.350	1.544	10	30		BDEEHN
OCC#Cc1cc(CN2CCCC2)ccc1F	ZINC000049615602	183031793	/nfs/dbraw/zinc/03/17/93/183031793.db2.gz	NXTBLZXVTGJCFZ-UHFFFAOYSA-N	0	3	233.286	1.765	10	30		BDEEHN
OCC#Cc1ccc(OCCN2CCCC2)cc1	ZINC000037543870	183032120	/nfs/dbraw/zinc/03/21/20/183032120.db2.gz	JQXXIGVMYYXAHJ-UHFFFAOYSA-N	0	3	245.322	1.505	10	30		BDEEHN
CCCC[C@H](N)C(=O)N(CCC#N)CC(C)C	ZINC000037822653	169006429	/nfs/dbraw/zinc/00/64/29/169006429.db2.gz	RAJLDXNKDVAMPN-LBPRGKRZSA-N	0	3	239.363	1.902	10	30		BDEEHN
CCCC[C@H](N)C(=O)NCc1ccc(C#N)cc1	ZINC000037748610	169006947	/nfs/dbraw/zinc/00/69/47/169006947.db2.gz	JYZJYGWYERYBIA-ZDUSSCGKSA-N	0	3	245.326	1.692	10	30		BDEEHN
[O-]c1cccc2c1[C@H](CCS)[NH2+]CC2	ZINC000083660588	183296718	/nfs/dbraw/zinc/29/67/18/183296718.db2.gz	CVUFOYZLQHIYAD-VIFPVBQESA-N	0	3	209.314	1.899	10	30		BDEEHN
N#Cc1ccc(CN2CCCN(C3CC3)CC2)o1	ZINC000179729855	134320142	/nfs/dbraw/zinc/32/01/42/134320142.db2.gz	DKFZOLOPYOTOHD-UHFFFAOYSA-N	0	3	245.326	1.821	10	30		BDEEHN
C=C(C)CN(C)C(=O)[C@H](CCC)N(C)C	ZINC000183063628	134350796	/nfs/dbraw/zinc/35/07/96/134350796.db2.gz	RHYLVNWPLXYQGM-NSHDSACASA-N	0	3	212.337	1.751	10	30		BDEEHN
N#Cc1ccncc1N1CCN2CCC[C@@H]2C1	ZINC000135615141	384201796	/nfs/dbraw/zinc/20/17/96/384201796.db2.gz	BGHPECJUNTYUPG-GFCCVEGCSA-N	0	3	228.299	1.238	10	30		BDEEHN
CO[C@H]1C[C@H](CO)N(CCC(C)(C)C#N)C1	ZINC000309786459	384608911	/nfs/dbraw/zinc/60/89/11/384608911.db2.gz	SRUNWICONWDWFE-MNOVXSKESA-N	0	3	226.320	1.008	10	30		BDEEHN
N#CCCCCN1CCC[C@H](n2cncn2)C1	ZINC000105899225	384886087	/nfs/dbraw/zinc/88/60/87/384886087.db2.gz	JYUBWXZEFHEMGS-LBPRGKRZSA-N	0	3	233.319	1.609	10	30		BDEEHN
C#CCN(C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000105802961	533112068	/nfs/dbraw/zinc/11/20/68/533112068.db2.gz	FBGROWWSYNQDRQ-GFCCVEGCSA-N	0	3	230.315	1.010	10	30		BDEEHN
CCC[C@@H](C(=O)NCCCCC#N)N(C)C	ZINC000179213557	386619017	/nfs/dbraw/zinc/61/90/17/386619017.db2.gz	RBFYYJSPDQLXNH-NSHDSACASA-N	0	3	225.336	1.527	10	30		BDEEHN
Cc1nnc(N2CC[C@@H](N(C)C)C2)c(C#N)c1C	ZINC000071140024	388268422	/nfs/dbraw/zinc/26/84/22/388268422.db2.gz	CYMVWJNYYYPHOL-LLVKDONJSA-N	0	3	245.330	1.105	10	30		BDEEHN
CCN(CCO)CCNc1ccc(C#N)cc1	ZINC000302217979	388620836	/nfs/dbraw/zinc/62/08/36/388620836.db2.gz	KHSFASOWKAKBNT-UHFFFAOYSA-N	0	3	233.315	1.284	10	30		BDEEHN
CC(C)N1CCCC[C@H]1C(=O)N1CC(C)(C#N)C1	ZINC000336311449	134142965	/nfs/dbraw/zinc/14/29/65/134142965.db2.gz	MZKWHVYSJQDYJU-LBPRGKRZSA-N	0	3	249.358	1.621	10	30		BDEEHN
C#CCCCCNC(=O)N1CCN2CCC[C@@H]2C1	ZINC000177238023	134296853	/nfs/dbraw/zinc/29/68/53/134296853.db2.gz	NDXOORUZWKGPJZ-CYBMUJFWSA-N	0	3	249.358	1.280	10	30		BDEEHN
N#CC1(CN2CCC[C@H](c3nc[nH]n3)C2)CC1	ZINC000408108577	134394418	/nfs/dbraw/zinc/39/44/18/134394418.db2.gz	BAHNZXFONUKQLJ-JTQLQIEISA-N	0	3	231.303	1.288	10	30		BDEEHN
CC(C#N)C(=O)N[C@@H](C)COCc1ccccc1	ZINC000345617060	134608495	/nfs/dbraw/zinc/60/84/95/134608495.db2.gz	YGXAXOCDRPFBDR-RYUDHWBXSA-N	0	3	246.310	1.868	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1N[C@H]1CCCC[C@@H]1O	ZINC000251018678	135062208	/nfs/dbraw/zinc/06/22/08/135062208.db2.gz	DTJRSZAKDHUXQH-BJDJZHNGSA-N	0	3	208.305	1.572	10	30		BDEEHN
CC(C)NCC(=O)NCc1ccc(C#N)cc1	ZINC000037748594	167097469	/nfs/dbraw/zinc/09/74/69/167097469.db2.gz	QSFSEIDWJWGDJT-UHFFFAOYSA-N	0	3	231.299	1.172	10	30		BDEEHN
CC(C)OCCOc1cccc(C#CCN)c1	ZINC000049260990	167249738	/nfs/dbraw/zinc/24/97/38/167249738.db2.gz	SLOSWVBGEAPZFK-UHFFFAOYSA-N	0	3	233.311	1.801	10	30		BDEEHN
C#CCNC(=O)[C@@H](C)Oc1ccccc1[C@@H](C)N	ZINC000037697776	166183408	/nfs/dbraw/zinc/18/34/08/166183408.db2.gz	GPDAIYPNEUUSTF-GHMZBOCLSA-N	0	3	246.310	1.223	10	30		BDEEHN
C#CCNCCc1ccc2c(c1)OCCO2	ZINC000049801037	166187229	/nfs/dbraw/zinc/18/72/29/166187229.db2.gz	HEHRFOLNTSZKLF-UHFFFAOYSA-N	0	3	217.268	1.223	10	30		BDEEHN
C#CCNC[C@H](C)n1nc(C)c(Cl)c1C	ZINC000053536202	166188947	/nfs/dbraw/zinc/18/89/47/166188947.db2.gz	QUUQXHLPLMNPMV-QMMMGPOBSA-N	0	3	225.723	1.937	10	30		BDEEHN
C#CCN[C@H](C)c1ccc(OC)c(OC)c1	ZINC000019875654	166192973	/nfs/dbraw/zinc/19/29/73/166192973.db2.gz	XSBCBYDRFKHODU-SNVBAGLBSA-N	0	3	219.284	1.988	10	30		BDEEHN
C=CCCOCCNC(=O)[C@](C)(N)CCC	ZINC000226696508	166271190	/nfs/dbraw/zinc/27/11/90/166271190.db2.gz	HCAXSGAYDZUDHE-GFCCVEGCSA-N	0	3	228.336	1.213	10	30		BDEEHN
C=CCNC(=O)[C@@H](C)NCCc1ccco1	ZINC000037978069	166382642	/nfs/dbraw/zinc/38/26/42/166382642.db2.gz	USKJFTCOBJQICA-SNVBAGLBSA-N	0	3	222.288	1.102	10	30		BDEEHN
C=CCNCC(=O)N[C@@H](C)CCc1ccccc1	ZINC000095081777	166399579	/nfs/dbraw/zinc/39/95/79/166399579.db2.gz	DISSJOQVEKGSGN-ZDUSSCGKSA-N	0	3	246.354	1.900	10	30		BDEEHN
CC(C)C(=O)N[C@@H](C)c1cccc(C#CCN)c1	ZINC000049587114	166723766	/nfs/dbraw/zinc/72/37/66/166723766.db2.gz	APWLYYVCWOGPTF-LBPRGKRZSA-N	0	3	244.338	1.830	10	30		BDEEHN
CC(C)CNC1(C#N)CCN(C(C)C)CC1	ZINC000037939135	167000531	/nfs/dbraw/zinc/00/05/31/167000531.db2.gz	WQIRBMXXQYVTFZ-UHFFFAOYSA-N	0	3	223.364	1.999	10	30		BDEEHN
CC(C)NCC(=O)Nc1sccc1C#N	ZINC000040414395	167096837	/nfs/dbraw/zinc/09/68/37/167096837.db2.gz	ALNFAXKMEBIBSN-UHFFFAOYSA-N	0	3	223.301	1.556	10	30		BDEEHN
CC(C)[C@@H](C#N)C(=O)N1CCC[C@@H]1CN(C)C	ZINC000061645867	167340999	/nfs/dbraw/zinc/34/09/99/167340999.db2.gz	QLTILIWGNRJSHW-VXGBXAGGSA-N	0	3	237.347	1.335	10	30		BDEEHN
CCC(=O)Nc1cc(C#CCN)ccc1Cl	ZINC000061691972	168242815	/nfs/dbraw/zinc/24/28/15/168242815.db2.gz	KCPKAPIWTMVJDD-UHFFFAOYSA-N	0	3	236.702	1.999	10	30		BDEEHN
CCNCC(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000044648317	170109702	/nfs/dbraw/zinc/10/97/02/170109702.db2.gz	CUDHOJHBCSIJRZ-SNVBAGLBSA-N	0	3	231.299	1.345	10	30		BDEEHN
CC[C@H](C)N(C)C(=O)c1cncc(C#CCN)c1	ZINC000049629529	171304498	/nfs/dbraw/zinc/30/44/98/171304498.db2.gz	ICDXQMJXCODYEB-NSHDSACASA-N	0	3	245.326	1.262	10	30		BDEEHN
CC[C@H](C)N[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000038065243	171345440	/nfs/dbraw/zinc/34/54/40/171345440.db2.gz	AENBDDQLCDQFOC-JOYOIKCWSA-N	0	3	231.299	1.473	10	30		BDEEHN
C=CC[C@H]1CCCN(C(=O)[C@@H](C)NC)C1	ZINC000662630067	412248944	/nfs/dbraw/zinc/24/89/44/412248944.db2.gz	IATGOKKHJAAPEL-MNOVXSKESA-N	0	3	210.321	1.409	10	30		BDEEHN
CCc1nccn1Cc1cccc(C#CCN)c1	ZINC000049610286	172026991	/nfs/dbraw/zinc/02/69/91/172026991.db2.gz	INKMNBFYOFERFJ-UHFFFAOYSA-N	0	3	239.322	1.804	10	30		BDEEHN
CN(C)C(C)(C)CN[C@H]1CCCC[C@H]1C#N	ZINC000054827511	172397748	/nfs/dbraw/zinc/39/77/48/172397748.db2.gz	LZFIRZNYAYSOJU-RYUDHWBXSA-N	0	3	223.364	1.999	10	30		BDEEHN
CN(C)C(C)(C)CN[C@H]1CCCC[C@@H]1C#N	ZINC000054827507	172398683	/nfs/dbraw/zinc/39/86/83/172398683.db2.gz	LZFIRZNYAYSOJU-NEPJUHHUSA-N	0	3	223.364	1.999	10	30		BDEEHN
CN(CCOc1ccccc1)CC/C(N)=N/O	ZINC000043458206	172771201	/nfs/dbraw/zinc/77/12/01/172771201.db2.gz	RBYMUFNSVYGZAR-UHFFFAOYSA-N	0	3	237.303	1.134	10	30		BDEEHN
CNC(C)(C)C(=O)N(CCC#N)c1ccccc1	ZINC000061300302	173317559	/nfs/dbraw/zinc/31/75/59/173317559.db2.gz	GRJSLKCDXUVNEX-UHFFFAOYSA-N	0	3	245.326	1.931	10	30		BDEEHN
COCCN(C)Cc1ccccc1C#CCO	ZINC000049614798	174281701	/nfs/dbraw/zinc/28/17/01/174281701.db2.gz	JZWAGBZXYZGBEF-UHFFFAOYSA-N	0	3	233.311	1.109	10	30		BDEEHN
COCCOCc1ccc(OC)c(C#CCN)c1	ZINC000049610714	174364550	/nfs/dbraw/zinc/36/45/50/174364550.db2.gz	ZSEBYOFRQWSMCN-UHFFFAOYSA-N	0	3	249.310	1.168	10	30		BDEEHN
COCCOCc1ccc(F)cc1C#CCN	ZINC000049610718	174364648	/nfs/dbraw/zinc/36/46/48/174364648.db2.gz	PBFHZAFRNWAQKX-UHFFFAOYSA-N	0	3	237.274	1.299	10	30		BDEEHN
COc1ccc(C#N)c(OCCN(C)C)c1	ZINC000011798965	175050913	/nfs/dbraw/zinc/05/09/13/175050913.db2.gz	ZMDZXWKDQIECCO-UHFFFAOYSA-N	0	3	220.272	1.507	10	30		BDEEHN
COc1ccc(C#CCN)cc1COCC1CC1	ZINC000049610847	175051002	/nfs/dbraw/zinc/05/10/02/175051002.db2.gz	XKVWEOVMQIOXNB-UHFFFAOYSA-N	0	3	245.322	1.932	10	30		BDEEHN
C[C@@H](S)[C@@H]1NCCc2ccc(O)cc21	ZINC000083663902	176007145	/nfs/dbraw/zinc/00/71/45/176007145.db2.gz	SFSPDSYQCYNMPH-HQJQHLMTSA-N	0	3	209.314	1.897	10	30		BDEEHN
C[C@H](S)[C@@H]1NCCc2c(O)cccc21	ZINC000083703578	177025023	/nfs/dbraw/zinc/02/50/23/177025023.db2.gz	ZOIURIRUHOYREX-CPCISQLKSA-N	0	3	209.314	1.897	10	30		BDEEHN
C[C@H](S)[C@H]1NCCc2c(O)cccc21	ZINC000083703576	177026213	/nfs/dbraw/zinc/02/62/13/177026213.db2.gz	ZOIURIRUHOYREX-WRWORJQWSA-N	0	3	209.314	1.897	10	30		BDEEHN
C[C@H]1CCC[C@@](C#N)(NCCN(C)C)C1	ZINC000037940693	177127477	/nfs/dbraw/zinc/12/74/77/177127477.db2.gz	PJNXOUVSMWZYSL-NWDGAFQWSA-N	0	3	209.337	1.610	10	30		BDEEHN
C[C@H]1C[C@@H]1NCc1cnc2ccc(C#N)cn12	ZINC000123626176	177349677	/nfs/dbraw/zinc/34/96/77/177349677.db2.gz	ATPWIELURRZVOL-CABZTGNLSA-N	0	3	226.283	1.704	10	30		BDEEHN
CCN1CC[C@@H](Nc2cc(C)ncc2C#N)C1	ZINC000399475723	262784525	/nfs/dbraw/zinc/78/45/25/262784525.db2.gz	XFMARACUFAVMNF-GFCCVEGCSA-N	0	3	230.315	1.190	10	30		BDEEHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(C)(C)C#N)C1	ZINC000159105930	323023131	/nfs/dbraw/zinc/02/31/31/323023131.db2.gz	RMOBXKFTUORGFT-MNOVXSKESA-N	0	3	237.347	1.381	10	30		BDEEHN
C=CCCC(=O)N(C)C[C@@H]1CCCN1CC	ZINC000176986074	534603878	/nfs/dbraw/zinc/60/38/78/534603878.db2.gz	AHMQISFXUWZVCL-LBPRGKRZSA-N	0	3	224.348	1.895	10	30		BDEEHN
C=CCCCC(=O)N1CCN2CCC[C@@H]2C1	ZINC000175455656	534650040	/nfs/dbraw/zinc/65/00/40/534650040.db2.gz	KWXYTMAACQWBJV-GFCCVEGCSA-N	0	3	222.332	1.649	10	30		BDEEHN
CNC(=O)[C@H](N[C@@H]1CCC[C@H](C#N)C1)C(C)C	ZINC000185866764	536383572	/nfs/dbraw/zinc/38/35/72/536383572.db2.gz	TWOAIUHCMYMJQH-QJPTWQEYSA-N	0	3	237.347	1.429	10	30		BDEEHN
C=CC[C@H](C)n1nnc(CN)c1-c1ccnn1C	ZINC000725257796	538067595	/nfs/dbraw/zinc/06/75/95/538067595.db2.gz	WYNOVADJFIISPS-VIFPVBQESA-N	0	3	246.318	1.274	10	30		BDEEHN
CC(C)(C#N)CN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	ZINC000164773533	640505239	/nfs/dbraw/zinc/50/52/39/640505239.db2.gz	ZONXZLMQGNHLLN-MXWKQRLJSA-N	0	3	222.332	1.939	10	30		BDEEHN
C#CCN(Cc1ccccc1)[C@@H](C)CO	ZINC000709913918	712233095	/nfs/dbraw/zinc/23/30/95/712233095.db2.gz	FXEVGDQFHRNURZ-LBPRGKRZSA-N	0	3	203.285	1.503	10	30		BDEEHN
CC(C)(C)OC(=O)C#C[C@@H](N)CC(F)F	ZINC000685952798	538896696	/nfs/dbraw/zinc/89/66/96/538896696.db2.gz	DCJKOPHWYMLXAZ-SSDOTTSWSA-N	0	3	219.231	1.314	10	30		BDEEHN
Cc1ccc(/C(N)=N/O)c(OCCN(C)C)c1	ZINC000051581293	178352309	/nfs/dbraw/zinc/35/23/09/178352309.db2.gz	FZBOHEMVHNITQA-UHFFFAOYSA-N	0	3	237.303	1.030	10	30		BDEEHN
CC(C)[C@H](O)CN[C@@H]1CCCC[C@@H]1C#N	ZINC000229981443	342861178	/nfs/dbraw/zinc/86/11/78/342861178.db2.gz	LDMNTXGNEBCSDA-IJLUTSLNSA-N	0	3	210.321	1.675	10	30		BDEEHN
C#C[C@H](NC)[C@@H]1CS[C@H](C)[C@@H](C)S1	ZINC000300032722	343263671	/nfs/dbraw/zinc/26/36/71/343263671.db2.gz	VVQJHPJQGFESRA-IMSYWVGJSA-N	0	3	215.387	1.833	10	30		BDEEHN
C/C(=N\[O-])c1cccc(OCC[NH+](C)C)c1	ZINC000019484553	187253024	/nfs/dbraw/zinc/25/30/24/187253024.db2.gz	KDOBTVKKPRSXLC-JLHYYAGUSA-N	0	3	222.288	1.825	10	30		BDEEHN
CC(C)[C@H](C)N(C)CC(=O)N(C)CCC#N	ZINC000035238578	187258125	/nfs/dbraw/zinc/25/81/25/187258125.db2.gz	UXUSXLXQYPCBDV-NSHDSACASA-N	0	3	225.336	1.335	10	30		BDEEHN
N#C[C@@H]1CCCC[C@@H]1N[C@H]1CCNC(=O)CC1	ZINC000396745740	349812117	/nfs/dbraw/zinc/81/21/17/349812117.db2.gz	YLMVKTFSLJFLOY-TUAOUCFPSA-N	0	3	235.331	1.327	10	30		BDEEHN
N#C[C@@H]1CCC[C@H]1N[C@@H]1CCCOCC1	ZINC000083425706	343484895	/nfs/dbraw/zinc/48/48/95/343484895.db2.gz	FTUACUODWKSADA-QJPTWQEYSA-N	0	3	208.305	1.837	10	30		BDEEHN
CCN1CC[C@H](Nc2nc(C)ccc2C#N)C1	ZINC000389216732	343520142	/nfs/dbraw/zinc/52/01/42/343520142.db2.gz	DCWOXXRHHRRBAY-LBPRGKRZSA-N	0	3	230.315	1.768	10	30		BDEEHN
N#C[C@@H]1CCCC[C@@H]1NCC1(O)CCCC1	ZINC000083466163	343608128	/nfs/dbraw/zinc/60/81/28/343608128.db2.gz	BLXBQSWHUNNCLD-RYUDHWBXSA-N	0	3	222.332	1.963	10	30		BDEEHN
CC[C@](C)(O)CN[C@@H]1CCCC[C@@H]1C#N	ZINC000083465381	343608163	/nfs/dbraw/zinc/60/81/63/343608163.db2.gz	JJCMZRDKYPCPDO-UTUOFQBUSA-N	0	3	210.321	1.819	10	30		BDEEHN
C=C(Cl)CN[C@@H]1C[C@H]2OCCC[C@H]12	ZINC000306623579	343876902	/nfs/dbraw/zinc/87/69/02/343876902.db2.gz	DLKNTZUNSJXGJK-OPRDCNLKSA-N	0	3	201.697	1.896	10	30		BDEEHN
C#CCn1nc(C(F)(F)F)cc1CNC	ZINC000409444052	343864120	/nfs/dbraw/zinc/86/41/20/343864120.db2.gz	ZJEKCEJUJXWLQM-UHFFFAOYSA-N	0	3	217.194	1.255	10	30		BDEEHN
CC(C)(C)N/C(=N/N)[C@H]1CCSC1	ZINC000070005301	343946331	/nfs/dbraw/zinc/94/63/31/343946331.db2.gz	NVVWEAQVHZYOBL-ZETCQYMHSA-N	0	3	201.339	1.400	10	30		BDEEHN
C=CCNC[C@H](O)c1cc(OC)ccc1OC	ZINC000033465987	187286821	/nfs/dbraw/zinc/28/68/21/187286821.db2.gz	LYKDAXWTGUEKPD-LBPRGKRZSA-N	0	3	237.299	1.513	10	30		BDEEHN
Cc1ccc([C@H](C)NC(=O)C(C)C#N)o1	ZINC000044825356	344551149	/nfs/dbraw/zinc/55/11/49/344551149.db2.gz	TYRFXWGGBXJFJW-CBAPKCEASA-N	0	3	206.245	1.925	10	30		BDEEHN
C#CCNC[C@@H](C)C(=O)OCc1ccccc1	ZINC000235480964	344923120	/nfs/dbraw/zinc/92/31/20/344923120.db2.gz	WUFFREZORYYRLL-GFCCVEGCSA-N	0	3	231.295	1.589	10	30		BDEEHN
CC#CCCN1CCC[C@@H]1c1cnn(C)c1	ZINC000155401664	187296206	/nfs/dbraw/zinc/29/62/06/187296206.db2.gz	RENJTLZEVIQSJJ-CYBMUJFWSA-N	0	3	217.316	1.970	10	30		BDEEHN
CN1CCC[C@@H]1CN[C@H]1CCC[C@@H]1C#N	ZINC000300358118	345795800	/nfs/dbraw/zinc/79/58/00/345795800.db2.gz	BPYUCMXNIXNWKJ-UTUOFQBUSA-N	0	3	207.321	1.362	10	30		BDEEHN
N=C(N)NN=Cc1ccc(F)cc1Cl	ZINC000144755341	345924615	/nfs/dbraw/zinc/92/46/15/345924615.db2.gz	IPLZFWUFKJMOKS-YIXHJXPBSA-N	0	3	214.631	1.296	10	30		BDEEHN
Cc1ccc(Br)c(NC(N)=NN)c1	ZINC000164601319	346611517	/nfs/dbraw/zinc/61/15/17/346611517.db2.gz	ZRJXBAFLDSZOQN-UHFFFAOYSA-N	0	3	243.108	1.358	10	30		BDEEHN
CC#CCN1CCC[C@@H]1[C@H]1CCCC1=O	ZINC000250535069	362808636	/nfs/dbraw/zinc/80/86/36/362808636.db2.gz	XCIFRXFZCHFWEU-VXGBXAGGSA-N	0	3	205.301	1.843	10	30		BDEEHN
N#C[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@H]1O	ZINC000323418223	348019563	/nfs/dbraw/zinc/01/95/63/348019563.db2.gz	NUXCQOBGYKNJAH-NNYUYHANSA-N	0	3	208.305	1.572	10	30		BDEEHN
CCC[C@@H]1C[C@H]1NC(=O)[C@@H](N)CCCCC#N	ZINC000594445384	348055764	/nfs/dbraw/zinc/05/57/64/348055764.db2.gz	DZPRMIBNRZZCCG-GRYCIOLGSA-N	0	3	237.347	1.702	10	30		BDEEHN
N#C[C@H]1CCC[C@@H]1NCC1(O)CCSCC1	ZINC000595480837	348252180	/nfs/dbraw/zinc/25/21/80/348252180.db2.gz	BBJBRPIZZPDZMN-MNOVXSKESA-N	0	3	240.372	1.526	10	30		BDEEHN
Cc1cnn(Cc2ccc(F)c(C#CCN)c2)c1	ZINC000049610208	179744820	/nfs/dbraw/zinc/74/48/20/179744820.db2.gz	ZFGHUYZHPDMUPQ-UHFFFAOYSA-N	0	3	243.285	1.689	10	30		BDEEHN
C=CC[C@@H](C)n1nnc(CN)c1-c1ccnn1C	ZINC000725257795	538067178	/nfs/dbraw/zinc/06/71/78/538067178.db2.gz	WYNOVADJFIISPS-SECBINFHSA-N	0	3	246.318	1.274	10	30		BDEEHN
N#Cc1ccc([C@@H]2CCCN2CCO)cc1	ZINC000616607026	350799376	/nfs/dbraw/zinc/79/93/76/350799376.db2.gz	CAVDUSDKYXZHJM-ZDUSSCGKSA-N	0	3	216.284	1.687	10	30		BDEEHN
CCC[C@@H](C(=O)N(CC)C[C@H](C)C#N)N(C)C	ZINC000161631923	323548848	/nfs/dbraw/zinc/54/88/48/323548848.db2.gz	AOGDIQXOSMEFKU-NEPJUHHUSA-N	0	3	239.363	1.725	10	30		BDEEHN
CC(=O)Nc1cc(C#CCN)ccc1Cl	ZINC000061691976	188012869	/nfs/dbraw/zinc/01/28/69/188012869.db2.gz	WWGGGPQZIHLBNE-UHFFFAOYSA-N	0	3	222.675	1.609	10	30		BDEEHN
CC#CCN1CC[C@H](CNc2ccccn2)C1	ZINC000160084035	353252797	/nfs/dbraw/zinc/25/27/97/353252797.db2.gz	CYBHDAHJBZJQOD-CYBMUJFWSA-N	0	3	229.327	1.839	10	30		BDEEHN
COC(=O)[C@H]1CCN(CCCC#N)C[C@H]1C	ZINC000191794518	353511015	/nfs/dbraw/zinc/51/10/15/353511015.db2.gz	XNNQRSXEXIWGIG-MNOVXSKESA-N	0	3	224.304	1.421	10	30		BDEEHN
N#CC1(Nc2ccccc2F)CCNCC1	ZINC000040695163	181030854	/nfs/dbraw/zinc/03/08/54/181030854.db2.gz	LQSOOJBVVKMOLH-UHFFFAOYSA-N	0	3	219.263	1.883	10	30		BDEEHN
N#CCN(CC#N)[C@H](CN)c1ccc(F)cc1	ZINC000042913362	181040133	/nfs/dbraw/zinc/04/01/33/181040133.db2.gz	ZYGGBHZGQAYTKI-GFCCVEGCSA-N	0	3	232.262	1.175	10	30		BDEEHN
N#C[C@H]1CCCC[C@@H]1NC1CCC(C(N)=O)CC1	ZINC000054825987	181067353	/nfs/dbraw/zinc/06/73/53/181067353.db2.gz	NFDKXEHFLOCQFJ-KPFVRQRISA-N	0	3	249.358	1.702	10	30		BDEEHN
N#C[C@H]1CCCC[C@@H]1NCCN1CCCC1	ZINC000054830126	181067734	/nfs/dbraw/zinc/06/77/34/181067734.db2.gz	CYBQMYKIAADNHJ-OLZOCXBDSA-N	0	3	221.348	1.754	10	30		BDEEHN
N#Cc1ccc(C(=O)N2CCN3CCC[C@H]3C2)o1	ZINC000311098153	181097789	/nfs/dbraw/zinc/09/77/89/181097789.db2.gz	PFWDHTAJRASKHE-JTQLQIEISA-N	0	3	245.282	1.071	10	30		BDEEHN
N#Cc1ccc(CN[C@H]2CCC[C@H]2O)s1	ZINC000165229949	181110297	/nfs/dbraw/zinc/11/02/97/181110297.db2.gz	SXRAUGSEPKVFOZ-WDEREUQCSA-N	0	3	222.313	1.623	10	30		BDEEHN
N#Cc1cccc(CN[C@@H]2CCC[C@@H]2O)c1	ZINC000037749340	181138073	/nfs/dbraw/zinc/13/80/73/181138073.db2.gz	RBMLMCSERKBPFS-OLZOCXBDSA-N	0	3	216.284	1.561	10	30		BDEEHN
NC(=[NH2+])NN=Cc1c(Cl)cc([O-])cc1Cl	ZINC000065742895	181188209	/nfs/dbraw/zinc/18/82/09/181188209.db2.gz	QRZKXEGHKZWKKZ-DXNYSGJVSA-N	0	3	247.085	1.516	10	30	in-vitro	BDEEHN
C=CCN(CCOC)C(=O)[C@H](CCC)N(C)C	ZINC000191969867	357808028	/nfs/dbraw/zinc/80/80/28/357808028.db2.gz	APTZYEKYXJFFRY-LBPRGKRZSA-N	0	3	242.363	1.378	10	30		BDEEHN
C#CCCCC(=O)N1CCCN(C2CC2)CC1	ZINC000191998962	357819843	/nfs/dbraw/zinc/81/98/43/357819843.db2.gz	XHNCCBWVEBUZKV-UHFFFAOYSA-N	0	3	234.343	1.487	10	30		BDEEHN
C=CCN1CCC(NC(=O)N[C@@H]2C[C@@H]2C)CC1	ZINC000171740582	134260762	/nfs/dbraw/zinc/26/07/62/134260762.db2.gz	FLBMVGBOCYWAOH-CMPLNLGQSA-N	0	3	237.347	1.344	10	30		BDEEHN
N#Cc1ccc(N2CCCN(C3CC3)CC2)cn1	ZINC000176878578	134294607	/nfs/dbraw/zinc/29/46/07/134294607.db2.gz	GNAVBRCXVKCHLV-UHFFFAOYSA-N	0	3	242.326	1.628	10	30		BDEEHN
N#Cc1cc(Br)ccc1NC(=N)N	ZINC000306176043	358985703	/nfs/dbraw/zinc/98/57/03/358985703.db2.gz	WDHPQJIELZYPFI-UHFFFAOYSA-N	0	3	239.076	1.626	10	30		BDEEHN
CN(C)CCc1ncc(C#N)c(Cl)n1	ZINC000306336283	359635745	/nfs/dbraw/zinc/63/57/45/359635745.db2.gz	GUCIWTWQDZUHJI-UHFFFAOYSA-N	0	3	210.668	1.106	10	30		BDEEHN
CCN1CCC[C@@H]1CN(C)C(=O)C1(C#N)CCC1	ZINC000093220906	360223024	/nfs/dbraw/zinc/22/30/24/360223024.db2.gz	OTKRKLSCRHQVRW-GFCCVEGCSA-N	0	3	249.358	1.623	10	30		BDEEHN
C[C@H](CS)CN1CCO[C@@H](C)[C@@H]1C	ZINC000306557209	360430181	/nfs/dbraw/zinc/43/01/81/360430181.db2.gz	NOTASFJJNYPKQC-GUBZILKMSA-N	0	3	203.351	1.662	10	30		BDEEHN
NCC#Cc1cncc(OCc2ccccc2)c1	ZINC000070044051	361384020	/nfs/dbraw/zinc/38/40/20/361384020.db2.gz	DLFMPLLONPMEBN-UHFFFAOYSA-N	0	3	238.290	1.971	10	30		BDEEHN
NCC#Cc1cccc(COC2CCOCC2)c1	ZINC000049611161	181346100	/nfs/dbraw/zinc/34/61/00/181346100.db2.gz	QPBOAKLTHADUEI-UHFFFAOYSA-N	0	3	245.322	1.692	10	30		BDEEHN
CC#CCCN1CCN(C[C@@H](C)O)[C@@H](CC)C1	ZINC000155460763	201333900	/nfs/dbraw/zinc/33/39/00/201333900.db2.gz	PJPDASAXSAIXLE-KGLIPLIRSA-N	0	3	238.375	1.177	10	30		BDEEHN
NCC#Cc1cc(F)ccc1OC(F)F	ZINC000037471113	181345944	/nfs/dbraw/zinc/34/59/44/181345944.db2.gz	YOXAYGARQTVIMA-UHFFFAOYSA-N	0	3	215.174	1.737	10	30		BDEEHN
NCC#Cc1ccsc1C(=O)NC1CCCC1	ZINC000104285843	181347691	/nfs/dbraw/zinc/34/76/91/181347691.db2.gz	LMGFCFXKQVXEEZ-UHFFFAOYSA-N	0	3	248.351	1.731	10	30		BDEEHN
NCC#Cc1ccc(F)cc1C(=O)N1CCCC1	ZINC000037569762	181346538	/nfs/dbraw/zinc/34/65/38/181346538.db2.gz	NYDZXKHDCQCSHR-UHFFFAOYSA-N	0	3	246.285	1.372	10	30		BDEEHN
C#C[C@H](NCC)[C@H]1SCCS[C@H]1C	ZINC000252722917	367894141	/nfs/dbraw/zinc/89/41/41/367894141.db2.gz	SBVQWBUELQYHOE-GUBZILKMSA-N	0	3	215.387	1.835	10	30		BDEEHN
N#Cc1cc(Cl)cnc1N1CCNCC1	ZINC000409442737	369978323	/nfs/dbraw/zinc/97/83/23/369978323.db2.gz	ZVIHXOSHWQRKNR-UHFFFAOYSA-N	0	3	222.679	1.016	10	30		BDEEHN
OCCN1CCC2(CC(CS)C2)C1	ZINC000095078888	183071680	/nfs/dbraw/zinc/07/16/80/183071680.db2.gz	UTPRENNIHMNRMR-UHFFFAOYSA-N	0	3	201.335	1.011	10	30		BDEEHN
OCCN[C@@H]1CCCCCC/C1=N/O	ZINC000033696935	183079048	/nfs/dbraw/zinc/07/90/48/183079048.db2.gz	LXCSLIWQHWOFRH-IHHQEMEHSA-N	0	3	200.282	1.121	10	30		BDEEHN
C[C@@H]1C[C@@H](O)CN(Cc2cccc(C#N)c2)C1	ZINC000334745261	383947415	/nfs/dbraw/zinc/94/74/15/383947415.db2.gz	FBXHMZSQCAUMET-BXUZGUMPSA-N	0	3	230.311	1.761	10	30		BDEEHN
C[C@@H]1C[C@H](N(C)c2nccc(C#N)n2)CCN1C	ZINC000297133095	384610161	/nfs/dbraw/zinc/61/01/61/384610161.db2.gz	NCOOXKJQOQEDEH-ZYHUDNBSSA-N	0	3	245.330	1.267	10	30		BDEEHN
C[C@@H](N)C(=O)N1CC[C@]2(CC[C@@H](CS)C2)C1	ZINC000100248070	384627372	/nfs/dbraw/zinc/62/73/72/384627372.db2.gz	VLJYMRXGXDSNOY-FOGDFJRCSA-N	0	3	242.388	1.282	10	30		BDEEHN
CC(C)CN1CCN(c2nccc(C#N)n2)CC1	ZINC000231900703	385872967	/nfs/dbraw/zinc/87/29/67/385872967.db2.gz	BTGUEZORUFHVIY-UHFFFAOYSA-N	0	3	245.330	1.126	10	30		BDEEHN
CC(C#N)C(=O)NCC1C[C@@H](C)O[C@H](C)C1	ZINC000343195757	386238237	/nfs/dbraw/zinc/23/82/37/386238237.db2.gz	RRRAUDDDNFDCQK-IVZWLZJFSA-N	0	3	224.304	1.466	10	30		BDEEHN
CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@@H]1C#N)N(C)C	ZINC000408368410	386396358	/nfs/dbraw/zinc/39/63/58/386396358.db2.gz	HVHUOKFVPWXTRP-UTUOFQBUSA-N	0	3	237.347	1.381	10	30		BDEEHN
CN1CCC[C@H]1c1cncc(C#CC(C)(C)O)c1	ZINC000033798964	387398505	/nfs/dbraw/zinc/39/85/05/387398505.db2.gz	IFPUJRNUSSIRNX-AWEZNQCLSA-N	0	3	244.338	1.971	10	30		BDEEHN
C[C@H](NC(=O)[C@@H](N)CCCC#N)C1CCCC1	ZINC000424134039	387640273	/nfs/dbraw/zinc/64/02/73/387640273.db2.gz	HLJQVIWQOPCHHB-JQWIXIFHSA-N	0	3	237.347	1.702	10	30		BDEEHN
C=C(C)CN1CCC[C@@H](n2cncn2)C1	ZINC000171703270	387831434	/nfs/dbraw/zinc/83/14/34/387831434.db2.gz	PJDCFXVNBFLUAE-LLVKDONJSA-N	0	3	206.293	1.491	10	30		BDEEHN
C=CCN(C)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C	ZINC000187157818	388605660	/nfs/dbraw/zinc/60/56/60/388605660.db2.gz	HMIWVVGFXHCCJG-NEPJUHHUSA-N	0	3	239.363	1.543	10	30		BDEEHN
C[C@@H]1CN2CCC[C@H]2CN1c1ncccc1C#N	ZINC000252675110	388658720	/nfs/dbraw/zinc/65/87/20/388658720.db2.gz	WVDAVORJHCZPSB-YPMHNXCESA-N	0	3	242.326	1.626	10	30		BDEEHN
C[C@@H]1C[C@H](Nc2nccc(C#N)n2)CN1C1CC1	ZINC000297612447	388802125	/nfs/dbraw/zinc/80/21/25/388802125.db2.gz	VRLJUTWZZZVJGD-KOLCDFICSA-N	0	3	243.314	1.385	10	30		BDEEHN
CCCCCN1CCCC[C@@H]1/C(N)=N/O	ZINC000070662775	135007200	/nfs/dbraw/zinc/00/72/00/135007200.db2.gz	ZPPPEZGBPSNAQZ-SNVBAGLBSA-N	0	3	213.325	1.778	10	30		BDEEHN
CC#CCN1CC[C@H](c2cnn(C)c2)C1	ZINC000121194921	135222771	/nfs/dbraw/zinc/22/27/71/135222771.db2.gz	JOAXLDMGPTYPIX-NSHDSACASA-N	0	3	203.289	1.233	10	30		BDEEHN
CC(C)NC(=O)c1ccc(C#CCN)cc1F	ZINC000037569835	167088328	/nfs/dbraw/zinc/08/83/28/167088328.db2.gz	UCULKUBIKUSHMJ-UHFFFAOYSA-N	0	3	234.274	1.274	10	30		BDEEHN
C#CCNCCN1CCc2sccc2[C@H]1C	ZINC000053391551	166186859	/nfs/dbraw/zinc/18/68/59/166186859.db2.gz	WJCFOEZXEBQHQB-LLVKDONJSA-N	0	3	234.368	1.890	10	30		BDEEHN
C#CCNC[C@@H](C)N1CCc2sccc2C1	ZINC000053486787	166187262	/nfs/dbraw/zinc/18/72/62/166187262.db2.gz	CFCFXQXBJCBUNU-LLVKDONJSA-N	0	3	234.368	1.718	10	30		BDEEHN
C#CCNC[C@@H](C)n1nnc2ccccc21	ZINC000053526823	166187644	/nfs/dbraw/zinc/18/76/44/166187644.db2.gz	ATUKITCCFGZRRT-SNVBAGLBSA-N	0	3	214.272	1.215	10	30		BDEEHN
C=CCNCCC(=O)c1ccc2c(c1)OCCO2	ZINC000049835172	166399171	/nfs/dbraw/zinc/39/91/71/166399171.db2.gz	SXRPBRUFRQGEEE-UHFFFAOYSA-N	0	3	247.294	1.806	10	30		BDEEHN
C=CCNCCNC(=O)OC(C)(C)C	ZINC000039091287	166399175	/nfs/dbraw/zinc/39/91/75/166399175.db2.gz	HOUGYCLLZPICMM-UHFFFAOYSA-N	0	3	200.282	1.287	10	30		BDEEHN
CC(C)NC(=O)NCc1ccc(C#CCN)cc1	ZINC000049587476	167072838	/nfs/dbraw/zinc/07/28/38/167072838.db2.gz	TWFHQTCYSLDAOZ-UHFFFAOYSA-N	0	3	245.326	1.204	10	30		BDEEHN
CCC(=O)Nc1ccc(C#CCN)cc1F	ZINC000037471193	168243922	/nfs/dbraw/zinc/24/39/22/168243922.db2.gz	QQTDWXDRIPTUSY-UHFFFAOYSA-N	0	3	220.247	1.484	10	30		BDEEHN
CCNC(=O)N[C@@H](C)c1cccc(C#CCN)c1	ZINC000049587451	170081986	/nfs/dbraw/zinc/08/19/86/170081986.db2.gz	DNTQQDBWICEYIB-NSHDSACASA-N	0	3	245.326	1.377	10	30		BDEEHN
CCOC(=O)Nc1cc(C#CCN)ccc1C	ZINC000037552836	170242877	/nfs/dbraw/zinc/24/28/77/170242877.db2.gz	VIHZSVXIQCQADC-UHFFFAOYSA-N	0	3	232.283	1.874	10	30		BDEEHN
CC[C@@H](C)[C@H](N)C(=O)Nc1ccccc1C#N	ZINC000011960807	170794897	/nfs/dbraw/zinc/79/48/97/170794897.db2.gz	CSNLDMXODDPMJR-SKDRFNHKSA-N	0	3	231.299	1.870	10	30		BDEEHN
CC[C@H](C)[C@H](N)C(=O)N(C)c1cccc(C#N)c1	ZINC000061980789	171393472	/nfs/dbraw/zinc/39/34/72/171393472.db2.gz	QTXUCEOYDURSEP-GWCFXTLKSA-N	0	3	245.326	1.894	10	30		BDEEHN
CC[C@H](CC#N)NC(=O)C1(N)CCCCC1	ZINC000054180006	171418219	/nfs/dbraw/zinc/41/82/19/171418219.db2.gz	WUPHRSUBADBRSA-SNVBAGLBSA-N	0	3	223.320	1.456	10	30		BDEEHN
CN(C)C(C)(C)CN[C@@H]1CCCC[C@@H]1C#N	ZINC000054827505	172395996	/nfs/dbraw/zinc/39/59/96/172395996.db2.gz	LZFIRZNYAYSOJU-VXGBXAGGSA-N	0	3	223.364	1.999	10	30		BDEEHN
CN1CC[C@@H](Nc2ccc(F)c(C#N)c2)C1	ZINC000061989869	173125604	/nfs/dbraw/zinc/12/56/04/173125604.db2.gz	MHEUZAGPHOEYNM-LLVKDONJSA-N	0	3	219.263	1.813	10	30		BDEEHN
COCCN(C)Cc1cccc(C#CCCO)c1	ZINC000049614813	174281440	/nfs/dbraw/zinc/28/14/40/174281440.db2.gz	AQDHNQPNZMFJRL-UHFFFAOYSA-N	0	3	247.338	1.499	10	30		BDEEHN
COc1ccc(C#CCO)cc1CN1CCCC1	ZINC000049615589	175050861	/nfs/dbraw/zinc/05/08/61/175050861.db2.gz	XAFZTWKQISXPAW-UHFFFAOYSA-N	0	3	245.322	1.635	10	30		BDEEHN
COc1ccc(COCC2CC2)cc1C#CCN	ZINC000049610848	175113516	/nfs/dbraw/zinc/11/35/16/175113516.db2.gz	PXHOMAAQVIQFHB-UHFFFAOYSA-N	0	3	245.322	1.932	10	30		BDEEHN
C[C@@H](S)[C@H]1NCCc2cc(O)ccc21	ZINC000083660565	176006872	/nfs/dbraw/zinc/00/68/72/176006872.db2.gz	KMIHISHJGUSROS-RDDDGLTNSA-N	0	3	209.314	1.897	10	30		BDEEHN
C[C@@H]1CCCN1C(=O)c1ccc(C#CCN)cc1	ZINC000037912565	176107540	/nfs/dbraw/zinc/10/75/40/176107540.db2.gz	GZGSBEKGDNLTHI-GFCCVEGCSA-N	0	3	242.322	1.621	10	30		BDEEHN
C[C@@H]1CN(C[C@]2(C=O)CCCOC2)CCCO1	ZINC000104310388	176301721	/nfs/dbraw/zinc/30/17/21/176301721.db2.gz	CUZYSTYXJRHSDU-OLZOCXBDSA-N	0	3	241.331	1.093	10	30		BDEEHN
C[C@H]1C[C@@H]1NC(=O)c1ccc(C#CCN)s1	ZINC000052299641	177348692	/nfs/dbraw/zinc/34/86/92/177348692.db2.gz	BCYDVSLBXBHITL-WPRPVWTQSA-N	0	3	234.324	1.197	10	30		BDEEHN
C=C1CCN(C(=O)[C@H](N)CC(C)C)CC1	ZINC000382530576	487545871	/nfs/dbraw/zinc/54/58/71/487545871.db2.gz	GYRLLMGYNCANMH-LLVKDONJSA-N	0	3	210.321	1.538	10	30		BDEEHN
CNCc1sc(C(=O)CC#N)nc1C	ZINC000757127028	582501960	/nfs/dbraw/zinc/50/19/60/582501960.db2.gz	XHOWQSMEXRFGBS-UHFFFAOYSA-N	0	3	209.274	1.267	10	30		BDEEHN
C=CCCC(=O)N(C)C[C@H]1CCCN1CC	ZINC000176986057	534603033	/nfs/dbraw/zinc/60/30/33/534603033.db2.gz	AHMQISFXUWZVCL-GFCCVEGCSA-N	0	3	224.348	1.895	10	30		BDEEHN
CC(C)N1CCCC[C@@H]1C(=O)N1CC(C)(C#N)C1	ZINC000336311448	535165372	/nfs/dbraw/zinc/16/53/72/535165372.db2.gz	MZKWHVYSJQDYJU-GFCCVEGCSA-N	0	3	249.358	1.621	10	30		BDEEHN
CO[C@@H]1CC[C@H](N[C@H]2CCC[C@@H]2C#N)C1	ZINC000300361792	592508907	/nfs/dbraw/zinc/50/89/07/592508907.db2.gz	ARBOZNDYPHVVKU-KXNHARMFSA-N	0	3	208.305	1.836	10	30		BDEEHN
CC(C)(C#N)CN[C@@H]1[C@H]2CCO[C@H]2C1(C)C	ZINC000252881066	644919796	/nfs/dbraw/zinc/91/97/96/644919796.db2.gz	ZONXZLMQGNHLLN-GMTAPVOTSA-N	0	3	222.332	1.939	10	30		BDEEHN
C[C@H](C(N)=O)N(C)CCCC(C)(C)C#N	ZINC000711128287	712285826	/nfs/dbraw/zinc/28/58/26/712285826.db2.gz	CFRUYSDNFPZRKZ-SECBINFHSA-N	0	3	211.309	1.122	10	30		BDEEHN
N#C[C@H]1CCC[C@@H]1NCCC1(O)CCC1	ZINC000397670278	398190284	/nfs/dbraw/zinc/19/02/84/398190284.db2.gz	NIPHKRNKJMIUND-MNOVXSKESA-N	0	3	208.305	1.573	10	30		BDEEHN
CNC(=NN)c1cc(Cl)cc(Cl)c1	ZINC000042035311	361926778	/nfs/dbraw/zinc/92/67/78/361926778.db2.gz	ARCIOZONKIHACB-UHFFFAOYSA-N	0	3	218.087	1.833	10	30		BDEEHN
CC#CCCN1CCN(CCOCC)[C@H](C)C1	ZINC000248399607	323018256	/nfs/dbraw/zinc/01/82/56/323018256.db2.gz	WEQZVRCWFVQURY-CQSZACIVSA-N	0	3	238.375	1.442	10	30		BDEEHN
C=CCN[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000020084840	187205904	/nfs/dbraw/zinc/20/59/04/187205904.db2.gz	GYTKFXRSPMPQKQ-MRVPVSSYSA-N	0	3	217.272	1.693	10	30		BDEEHN
C=C(C)CN1CCC[C@H](n2cncn2)C1	ZINC000171703264	187227130	/nfs/dbraw/zinc/22/71/30/187227130.db2.gz	PJDCFXVNBFLUAE-NSHDSACASA-N	0	3	206.293	1.491	10	30		BDEEHN
C#CCN1CCC[C@H]1Cn1ccnc1C	ZINC000178300510	187228271	/nfs/dbraw/zinc/22/82/71/187228271.db2.gz	LSFIZTAQLCDNDM-LBPRGKRZSA-N	0	3	203.289	1.289	10	30		BDEEHN
C=CCCCC(=O)N1CC[C@H](N(C)C)C1	ZINC000175551232	187228643	/nfs/dbraw/zinc/22/86/43/187228643.db2.gz	AYYZEDNWGZQLGA-NSHDSACASA-N	0	3	210.321	1.505	10	30		BDEEHN
CCOCCN1[C@H](C)C[C@@H](C=O)C[C@@H]1C	ZINC000584883643	343086598	/nfs/dbraw/zinc/08/65/98/343086598.db2.gz	XVGZFUDRTPXSPD-ZSBIGDGJSA-N	0	3	213.321	1.711	10	30		BDEEHN
C=CC[C@H](N)C(=O)NCc1ccc(F)cc1F	ZINC000083367786	187243037	/nfs/dbraw/zinc/24/30/37/187243037.db2.gz	NPDIQSDWTJKWKH-NSHDSACASA-N	0	3	240.253	1.484	10	30		BDEEHN
CC(=NNC(=N)N)c1cccc(Cl)c1	ZINC000013143925	187250880	/nfs/dbraw/zinc/25/08/80/187250880.db2.gz	KZWOILLLEJJMPT-MLPAPPSSSA-N	0	3	210.668	1.337	10	30		BDEEHN
CC(C)[C@H](N)C(=O)N(CCC#N)c1ccccc1	ZINC000019833579	187252388	/nfs/dbraw/zinc/25/23/88/187252388.db2.gz	CLGNWGONMZJSSW-ZDUSSCGKSA-N	0	3	245.326	1.917	10	30		BDEEHN
C=C[C@H](OC)[C@@H](N)c1ccc(OC)cc1	ZINC000238372989	343255852	/nfs/dbraw/zinc/25/58/52/343255852.db2.gz	CCTGPWOOFSHIEI-RYUDHWBXSA-N	0	3	207.273	1.896	10	30		BDEEHN
C=CCN1CCCN(Cc2cnn(C)c2)CC1	ZINC000105869757	136363707	/nfs/dbraw/zinc/36/37/07/136363707.db2.gz	IOPVIVWUSMKNPC-UHFFFAOYSA-N	0	3	234.347	1.114	10	30		BDEEHN
N#C[C@@H]1CCC[C@H]1NC[C@@H]1CCCOC1	ZINC000054825910	136372915	/nfs/dbraw/zinc/37/29/15/136372915.db2.gz	ZFUWFLPBBJHIMI-SDDRHHMPSA-N	0	3	208.305	1.695	10	30		BDEEHN
N#C[C@@H]1CCCC[C@H]1NCC1(O)CCCC1	ZINC000083466164	343608662	/nfs/dbraw/zinc/60/86/62/343608662.db2.gz	BLXBQSWHUNNCLD-NWDGAFQWSA-N	0	3	222.332	1.963	10	30		BDEEHN
C#CCNC[C@H](C)N(C)Cc1ccccc1F	ZINC000053497025	187358751	/nfs/dbraw/zinc/35/87/51/187358751.db2.gz	IEVYKHCWUVKIOM-LBPRGKRZSA-N	0	3	234.318	1.869	10	30		BDEEHN
CC#CCN[C@H]1CCCC[C@@H]1n1cccn1	ZINC000127913930	344202436	/nfs/dbraw/zinc/20/24/36/344202436.db2.gz	VVHHGTXVZJFCNT-STQMWFEESA-N	0	3	217.316	1.980	10	30		BDEEHN
CC#CCN[C@H]1CCCC[C@H]1n1cccn1	ZINC000127914343	344202766	/nfs/dbraw/zinc/20/27/66/344202766.db2.gz	VVHHGTXVZJFCNT-QWHCGFSZSA-N	0	3	217.316	1.980	10	30		BDEEHN
C=C[C@H](C)N1CCC(C(=O)OCC)CC1	ZINC000049572727	187293820	/nfs/dbraw/zinc/29/38/20/187293820.db2.gz	ZFXBFWVMGLSVED-JTQLQIEISA-N	0	3	211.305	1.836	10	30		BDEEHN
C=C(C)C[C@H](C)C(=O)N1CCN2CCC[C@H]2C1	ZINC000248603869	345431280	/nfs/dbraw/zinc/43/12/80/345431280.db2.gz	BPZWQLRSRBGXPJ-STQMWFEESA-N	0	3	236.359	1.895	10	30		BDEEHN
CC[C@@](C)(C#N)C(=O)N1CC[C@H](N(C)C)C1	ZINC000136246835	345492801	/nfs/dbraw/zinc/49/28/01/345492801.db2.gz	BWGKNNVMDAQRKT-JQWIXIFHSA-N	0	3	223.320	1.089	10	30		BDEEHN
C=C(C)CN(CC)C(=O)[C@H]1CCCCN1	ZINC000019517374	187313296	/nfs/dbraw/zinc/31/32/96/187313296.db2.gz	SRUDEENQTWBVLT-LLVKDONJSA-N	0	3	210.321	1.553	10	30		BDEEHN
C#CCN[C@H]1CCCCCC[C@H]1C(=O)OC	ZINC000390496739	259391097	/nfs/dbraw/zinc/39/10/97/259391097.db2.gz	SGHBMOKTZYRJAL-NEPJUHHUSA-N	0	3	223.316	1.721	10	30		BDEEHN
CC(C)[C@@H](C)NC(=O)[C@@H](N)CCCCC#N	ZINC000594427475	348043641	/nfs/dbraw/zinc/04/36/41/348043641.db2.gz	UUPANFFKRAOUQN-MNOVXSKESA-N	0	3	225.336	1.558	10	30		BDEEHN
CC[C@@H](NC(=O)[C@@H](N)CCCCC#N)C(C)C	ZINC000594431127	348045729	/nfs/dbraw/zinc/04/57/29/348045729.db2.gz	IEAUANNPYTTXBK-NWDGAFQWSA-N	0	3	239.363	1.948	10	30		BDEEHN
CC[C@H](NC(=O)[C@@H](N)CCCCC#N)C(C)C	ZINC000594431128	348046095	/nfs/dbraw/zinc/04/60/95/348046095.db2.gz	IEAUANNPYTTXBK-RYUDHWBXSA-N	0	3	239.363	1.948	10	30		BDEEHN
C[C@@H](NC(=O)[C@H](N)CCCCC#N)C1CC1	ZINC000594426492	348052388	/nfs/dbraw/zinc/05/23/88/348052388.db2.gz	RUPPCVREHQDOQF-MWLCHTKSSA-N	0	3	223.320	1.312	10	30		BDEEHN
C[C@@H](NC1CC(CO)C1)c1cccc(C#N)c1	ZINC000595105817	348196590	/nfs/dbraw/zinc/19/65/90/348196590.db2.gz	YYCCAVXZXLKMLJ-PWQPVHBWSA-N	0	3	230.311	1.980	10	30		BDEEHN
CC[C@H](C)[C@@H](N)C(=O)N1CC[C@](C)(C#N)C1	ZINC000595980423	348415121	/nfs/dbraw/zinc/41/51/21/348415121.db2.gz	HXKLPMYDJRZXPM-HOSYDEDBSA-N	0	3	223.320	1.122	10	30		BDEEHN
N#C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCOC1	ZINC000054826033	348665084	/nfs/dbraw/zinc/66/50/84/348665084.db2.gz	FCJIZKAWXZERGI-SRVKXCTJSA-N	0	3	208.305	1.695	10	30		BDEEHN
N#Cc1ccc(CN[C@@H]2CCCCC[C@H]2O)o1	ZINC000161085263	349369429	/nfs/dbraw/zinc/36/94/29/349369429.db2.gz	JCCXEYZSQSCOGP-CHWSQXEVSA-N	0	3	234.299	1.934	10	30		BDEEHN
Cc1nccn1Cc1ccc(C#CCN)cc1F	ZINC000049610089	180268254	/nfs/dbraw/zinc/26/82/54/180268254.db2.gz	IMBSEUCDYAEUQZ-UHFFFAOYSA-N	0	3	243.285	1.689	10	30		BDEEHN
Cc1ncn(Cc2ccc(C#CCN)s2)c1C	ZINC000051927777	180287946	/nfs/dbraw/zinc/28/79/46/180287946.db2.gz	JERSLIYGIRSRMT-UHFFFAOYSA-N	0	3	245.351	1.920	10	30		BDEEHN
C#CCNCc1cc2cc(O)ccc2n1C	ZINC000029404767	350368343	/nfs/dbraw/zinc/36/83/43/350368343.db2.gz	RPMHQMCNBGJITH-UHFFFAOYSA-N	0	3	214.268	1.607	10	30		BDEEHN
C[C@H](CS)CN1CCN(C)[C@H](C)C1	ZINC000251939554	350907143	/nfs/dbraw/zinc/90/71/43/350907143.db2.gz	ZMCMEMKQBKMOIK-VHSXEESVSA-N	0	3	202.367	1.188	10	30		BDEEHN
C=C(Br)CN[C@H]1CCCC[C@@H]1O	ZINC000052013780	350887330	/nfs/dbraw/zinc/88/73/30/350887330.db2.gz	ZCUXZBQVSABKFV-IUCAKERBSA-N	0	3	234.137	1.788	10	30		BDEEHN
C=CC[C@H](N)C(=O)NCc1ccccc1Cl	ZINC000083366525	187922878	/nfs/dbraw/zinc/92/28/78/187922878.db2.gz	RNJDBZZTVXSDNR-NSHDSACASA-N	0	3	238.718	1.860	10	30		BDEEHN
C[C@H]1CCSCCN1C(C)(C)C=O	ZINC000307729599	353115299	/nfs/dbraw/zinc/11/52/99/353115299.db2.gz	HIUURRYJXSFOBW-VIFPVBQESA-N	0	3	201.335	1.791	10	30		BDEEHN
N#CC(Cc1ccccc1)C(=O)N1CCOCC1	ZINC000034584293	181055358	/nfs/dbraw/zinc/05/53/58/181055358.db2.gz	FSCSJPCSYNFZSV-CYBMUJFWSA-N	0	3	244.294	1.228	10	30		BDEEHN
N#C[C@H]1CCC[C@@H]1NCCN1CCCC1	ZINC000054830111	181069252	/nfs/dbraw/zinc/06/92/52/181069252.db2.gz	KQLANDPECXKDKU-NEPJUHHUSA-N	0	3	207.321	1.364	10	30		BDEEHN
N#Cc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)o1	ZINC000311098157	181097744	/nfs/dbraw/zinc/09/77/44/181097744.db2.gz	PFWDHTAJRASKHE-SNVBAGLBSA-N	0	3	245.282	1.071	10	30		BDEEHN
N#Cc1ccc(CN2CCN3CCC[C@@H]3C2)o1	ZINC000179547323	181103527	/nfs/dbraw/zinc/10/35/27/181103527.db2.gz	QNUFGWUJETZUDU-LLVKDONJSA-N	0	3	231.299	1.431	10	30		BDEEHN
N#Cc1cccc(C2=NO[C@@H](CN)C2)c1	ZINC000082644277	181136713	/nfs/dbraw/zinc/13/67/13/181136713.db2.gz	GFSYQADYMXLSCE-SNVBAGLBSA-N	0	3	201.229	1.010	10	30		BDEEHN
N#Cc1ccsc1NC(=O)[C@@H]1CCCCN1	ZINC000040851932	181161591	/nfs/dbraw/zinc/16/15/91/181161591.db2.gz	SDCVXHGFDZLOSH-VIFPVBQESA-N	0	3	235.312	1.700	10	30		BDEEHN
N/C(CCN(C[C@@H]1CCCCO1)C1CC1)=N/O	ZINC000042546110	181183000	/nfs/dbraw/zinc/18/30/00/181183000.db2.gz	HABKFPDBWUEBCC-NSHDSACASA-N	0	3	241.335	1.156	10	30		BDEEHN
N=C(N)NN=Cc1ccccc1OC(F)F	ZINC000003224490	181187782	/nfs/dbraw/zinc/18/77/82/181187782.db2.gz	UNYUBBYZANTKSE-LHHJGKSTSA-N	0	3	228.202	1.105	10	30		BDEEHN
NC(=[NH2+])NN=Cc1c(Cl)cc([O-])cc1Cl	ZINC000065742896	181188416	/nfs/dbraw/zinc/18/84/16/181188416.db2.gz	QRZKXEGHKZWKKZ-QLKAYGNNSA-N	0	3	247.085	1.516	10	30	in-vitro	BDEEHN
C[C@H]1[C@H](O)CCCN1CC1(CC#N)CC1	ZINC000384843781	356770691	/nfs/dbraw/zinc/77/06/91/356770691.db2.gz	AGDIDBWMSCFWBX-WDEREUQCSA-N	0	3	208.305	1.525	10	30		BDEEHN
C[C@H]1[C@@H](O)CCCN1CC1(CC#N)CC1	ZINC000384843780	356770866	/nfs/dbraw/zinc/77/08/66/356770866.db2.gz	AGDIDBWMSCFWBX-QWRGUYRKSA-N	0	3	208.305	1.525	10	30		BDEEHN
NC(=O)c1ccc(CN2CCC[C@H](C=O)C2)cc1	ZINC000054219155	181295476	/nfs/dbraw/zinc/29/54/76/181295476.db2.gz	DWVTVNFAVQRAJV-LBPRGKRZSA-N	0	3	246.310	1.196	10	30		BDEEHN
C=CCN1CCC(NC(=O)N[C@H]2C[C@H]2C)CC1	ZINC000171740572	134260456	/nfs/dbraw/zinc/26/04/56/134260456.db2.gz	FLBMVGBOCYWAOH-PWSUYJOCSA-N	0	3	237.347	1.344	10	30		BDEEHN
C=CCNC[C@@H](O)[C@@H]1CCc2ccccc2O1	ZINC000584626617	358295895	/nfs/dbraw/zinc/29/58/95/358295895.db2.gz	VUNDEVOKFIWHHG-OCCSQVGLSA-N	0	3	233.311	1.517	10	30		BDEEHN
CC(C)C[C@H](CN(C)C)NC(=O)[C@@H](C)C#N	ZINC000044825891	358556621	/nfs/dbraw/zinc/55/66/21/358556621.db2.gz	GWAJNFHKVGCZQX-WDEREUQCSA-N	0	3	225.336	1.239	10	30		BDEEHN
CC[C@](C)(C#N)C(=O)N1C[C@H]2CCCN2C[C@@H]1C	ZINC000136275395	358871251	/nfs/dbraw/zinc/87/12/51/358871251.db2.gz	HLPNFMPGLBUWLR-OUCADQQQSA-N	0	3	249.358	1.621	10	30		BDEEHN
C=CC[C@@H](C)NC(=O)N[C@H]1CCCN(CC)C1	ZINC000247059061	359191709	/nfs/dbraw/zinc/19/17/09/359191709.db2.gz	JZCGPYJWWDBAIR-NEPJUHHUSA-N	0	3	239.363	1.735	10	30		BDEEHN
NCC#Cc1cc(F)c(F)cc1Cl	ZINC000231299968	359706897	/nfs/dbraw/zinc/70/68/97/359706897.db2.gz	PFQVCNAPMAVPMY-UHFFFAOYSA-N	0	3	201.603	1.928	10	30		BDEEHN
CCN([O-])C(=O)[C@H]1[NH2+]CCCC1(C)C	ZINC000306581462	360478732	/nfs/dbraw/zinc/47/87/32/360478732.db2.gz	OQLOLACIGGEJIB-MRVPVSSYSA-N	0	3	200.282	1.002	10	30		BDEEHN
N#Cc1ccc(CN)c(OC(F)(F)F)c1	ZINC000138604486	360991806	/nfs/dbraw/zinc/99/18/06/360991806.db2.gz	XLGZYTNMYXMQPW-UHFFFAOYSA-N	0	3	216.162	1.916	10	30		BDEEHN
C=C(C)CN[C@H](CO)c1cccc(OC)c1	ZINC000309935985	491158542	/nfs/dbraw/zinc/15/85/42/491158542.db2.gz	ZULYZVDVRHSTFG-CYBMUJFWSA-N	0	3	221.300	1.894	10	30		BDEEHN
NCC#Cc1cc(F)ccc1C(=O)NCC1CC1	ZINC000037569993	181346249	/nfs/dbraw/zinc/34/62/49/181346249.db2.gz	PVSWAGHSEBHYPD-UHFFFAOYSA-N	0	3	246.285	1.276	10	30		BDEEHN
NCC#Cc1cccc(Cn2cccn2)c1	ZINC000049610055	181345900	/nfs/dbraw/zinc/34/59/00/181345900.db2.gz	QHWJWGGSGAVFBR-UHFFFAOYSA-N	0	3	211.268	1.242	10	30		BDEEHN
NCC#Cc1cccc(CNC(=O)CC2CC2)c1	ZINC000049731617	181346915	/nfs/dbraw/zinc/34/69/15/181346915.db2.gz	PFXHMFIHZWXOFC-UHFFFAOYSA-N	0	3	242.322	1.413	10	30		BDEEHN
C#C[C@]1(O)CCCN(Cc2ccccc2)C1	ZINC000131758219	371667920	/nfs/dbraw/zinc/66/79/20/371667920.db2.gz	CQDWRUQHIAXHNZ-AWEZNQCLSA-N	0	3	215.296	1.647	10	30		BDEEHN
Cc1cc(Br)cc(C(N)=NN)c1	ZINC000163594619	372017539	/nfs/dbraw/zinc/01/75/39/372017539.db2.gz	LGCCYQUABKGTPM-UHFFFAOYSA-N	0	3	228.093	1.337	10	30		BDEEHN
CCCNC(=O)NCc1ccccc1C#CCN	ZINC000049587499	169237615	/nfs/dbraw/zinc/23/76/15/169237615.db2.gz	XEHPABGVOAVFJX-UHFFFAOYSA-N	0	3	245.326	1.206	10	30		BDEEHN
CCCNCc1cc2c(cc1OCC#N)OCO2	ZINC000042874735	169266742	/nfs/dbraw/zinc/26/67/42/169266742.db2.gz	HHRBKOAQMLGIKL-UHFFFAOYSA-N	0	3	248.282	1.817	10	30		BDEEHN
CC(C)(C)OC(=O)[C@H](C=O)[C@H](N)C(C)(C)C	ZINC000091368766	384122875	/nfs/dbraw/zinc/12/28/75/384122875.db2.gz	SQPCRWIJGQALTK-BDAKNGLRSA-N	0	3	229.320	1.517	10	30		BDEEHN
CC(C)(C)OC(=O)[C@@H](C=O)[C@H](N)C(C)(C)C	ZINC000091368773	384122940	/nfs/dbraw/zinc/12/29/40/384122940.db2.gz	SQPCRWIJGQALTK-IUCAKERBSA-N	0	3	229.320	1.517	10	30		BDEEHN
C#CCCN1C[C@H]2CCCCN2C[C@@H]1C	ZINC000086929631	533058576	/nfs/dbraw/zinc/05/85/76/533058576.db2.gz	IDNLSZMKGIEZBL-QWHCGFSZSA-N	0	3	206.333	1.568	10	30		BDEEHN
C[C@@H]1COCC[C@@H]1N[C@H]1CCC[C@H]1C#N	ZINC000300865069	384615259	/nfs/dbraw/zinc/61/52/59/384615259.db2.gz	ONUUFHOQOGJCEE-RHYQMDGZSA-N	0	3	208.305	1.693	10	30		BDEEHN
CN(C)[C@H]1CCN(C(=O)c2ccc(C#N)cc2)C1	ZINC000071140002	384653221	/nfs/dbraw/zinc/65/32/21/384653221.db2.gz	RESKUPPWVZYWRR-ZDUSSCGKSA-N	0	3	243.310	1.334	10	30		BDEEHN
C[C@H]1CN2CCC[C@@H]2CN1c1ncccc1C#N	ZINC000083550683	384703427	/nfs/dbraw/zinc/70/34/27/384703427.db2.gz	WVDAVORJHCZPSB-WCQYABFASA-N	0	3	242.326	1.626	10	30		BDEEHN
CN1CCC(N[C@H]2CCC[C@@H]2C#N)CC1	ZINC000054824962	385665685	/nfs/dbraw/zinc/66/56/85/385665685.db2.gz	QWVZBXKWRXAFFB-PWSUYJOCSA-N	0	3	207.321	1.362	10	30		BDEEHN
C[C@H]1CC[C@@H](O)CN1Cc1cccc(C#N)c1	ZINC000399196145	386411488	/nfs/dbraw/zinc/41/14/88/386411488.db2.gz	LSQIHBZEYPTNLN-SMDDNHRTSA-N	0	3	230.311	1.903	10	30		BDEEHN
C=CCSCCNC(=O)[C@H](CCC)N(C)C	ZINC000123911148	386578549	/nfs/dbraw/zinc/57/85/49/386578549.db2.gz	DXXHOGPQVDWGER-NSHDSACASA-N	0	3	244.404	1.752	10	30		BDEEHN
C=CCN[C@H](C)c1ccc(S(C)(=O)=O)cc1	ZINC000019875963	386784190	/nfs/dbraw/zinc/78/41/90/386784190.db2.gz	RZTGMTPHUZNJJG-SNVBAGLBSA-N	0	3	239.340	1.927	10	30		BDEEHN
CCC[C@@H](C(=O)N(CC)C[C@@H](C)C#N)N(C)C	ZINC000161631666	387243009	/nfs/dbraw/zinc/24/30/09/387243009.db2.gz	AOGDIQXOSMEFKU-RYUDHWBXSA-N	0	3	239.363	1.725	10	30		BDEEHN
N#Cc1ccnc(N2CCN3CCC[C@@H]3C2)c1	ZINC000094460877	387278478	/nfs/dbraw/zinc/27/84/78/387278478.db2.gz	PPJQMLBGJVQRHA-GFCCVEGCSA-N	0	3	228.299	1.238	10	30		BDEEHN
C[C@@H](N)C#Cc1ccc(Br)cn1	ZINC000575508218	387373468	/nfs/dbraw/zinc/37/34/68/387373468.db2.gz	PJHHDGMJRKLKKA-SSDOTTSWSA-N	0	3	225.089	1.543	10	30		BDEEHN
N#Cc1cc(CN2CCC[C@H]2CCCO)ccn1	ZINC000068760608	388717162	/nfs/dbraw/zinc/71/71/62/388717162.db2.gz	OHURWOHJMCCYMW-AWEZNQCLSA-N	0	3	245.326	1.690	10	30		BDEEHN
C[C@@H]1C[C@@H]1NCc1cnc2ccc(C#N)cn12	ZINC000123625960	388733561	/nfs/dbraw/zinc/73/35/61/388733561.db2.gz	ATPWIELURRZVOL-SKDRFNHKSA-N	0	3	226.283	1.704	10	30		BDEEHN
C=C(C)CN1C[C@@H](C)[C@@H](N2CCOCC2)C1	ZINC000177223075	533511831	/nfs/dbraw/zinc/51/18/31/533511831.db2.gz	TYPLBJMMKPVTOO-OLZOCXBDSA-N	0	3	224.348	1.215	10	30		BDEEHN
C#CCCCCNC(=O)N1CCN2CCC[C@H]2C1	ZINC000177238041	134296847	/nfs/dbraw/zinc/29/68/47/134296847.db2.gz	NDXOORUZWKGPJZ-ZDUSSCGKSA-N	0	3	249.358	1.280	10	30		BDEEHN
N#Cc1ccc(CN2CC[C@H](CCO)C2)cc1	ZINC000227569385	134383165	/nfs/dbraw/zinc/38/31/65/134383165.db2.gz	USCDKRIHQBTYJW-CQSZACIVSA-N	0	3	230.311	1.763	10	30		BDEEHN
Cc1nc(C[C@@H]2CCCN(CCCC#N)C2)no1	ZINC000195517954	134844638	/nfs/dbraw/zinc/84/46/38/134844638.db2.gz	GSROWIDYPPMSKB-LBPRGKRZSA-N	0	3	248.330	1.936	10	30		BDEEHN
C=C(Cl)CN[C@@H]1CCC[C@H]1[C@@H]1COCCN1	ZINC000262031764	135274820	/nfs/dbraw/zinc/27/48/20/135274820.db2.gz	XMNUQJDEZFDTGA-UTUOFQBUSA-N	0	3	244.766	1.486	10	30		BDEEHN
CC#CCNc1cc(N)ncc1Br	ZINC000307078836	397977403	/nfs/dbraw/zinc/97/74/03/397977403.db2.gz	NAZAZUMDNVKNIR-UHFFFAOYSA-N	0	3	240.104	1.862	10	30		BDEEHN
Cn1cncc1CCN[C@H]1CCC[C@@H]1C#N	ZINC000401851075	397984742	/nfs/dbraw/zinc/98/47/42/397984742.db2.gz	SQHUGXPVDCVQBT-PWSUYJOCSA-N	0	3	218.304	1.244	10	30		BDEEHN
C#CCN(C)[C@H]1CCc2c(O)c(O)ccc2C1	ZINC000095913213	166161673	/nfs/dbraw/zinc/16/16/73/166161673.db2.gz	LNBLXTCAPJHGBK-NSHDSACASA-N	0	3	231.295	1.520	10	30		BDEEHN
C#CCNC[C@@H](C)n1cc(Br)cn1	ZINC000053538359	166187543	/nfs/dbraw/zinc/18/75/43/166187543.db2.gz	JLWRYDCQTGHSQL-MRVPVSSYSA-N	0	3	242.120	1.429	10	30		BDEEHN
C#CCN[C@@H](C)c1ccc2c(c1)OCCO2	ZINC000019875534	166190110	/nfs/dbraw/zinc/19/01/10/166190110.db2.gz	HZYSGUMMHIUHRD-JTQLQIEISA-N	0	3	217.268	1.742	10	30		BDEEHN
C#CCOc1ccc(CNCCO)cc1OCC	ZINC000045945551	166198786	/nfs/dbraw/zinc/19/87/86/166198786.db2.gz	JSLGSEZEYBPURD-UHFFFAOYSA-N	0	3	249.310	1.179	10	30		BDEEHN
C=CCNCC(=O)N[C@H](C)CCc1ccccc1	ZINC000095081778	166399845	/nfs/dbraw/zinc/39/98/45/166399845.db2.gz	DISSJOQVEKGSGN-CYBMUJFWSA-N	0	3	246.354	1.900	10	30		BDEEHN
CC(C)NCC(=O)N(C)c1ccc(C#N)cc1	ZINC000061980653	167095099	/nfs/dbraw/zinc/09/50/99/167095099.db2.gz	YGNOCSXSKOGDBH-UHFFFAOYSA-N	0	3	231.299	1.519	10	30		BDEEHN
CC(C)[C@@H](C#N)C(=O)N(C)CCN1CCCC1	ZINC000063053015	167340915	/nfs/dbraw/zinc/34/09/15/167340915.db2.gz	HYGLJRFXPNSPAS-GFCCVEGCSA-N	0	3	237.347	1.336	10	30		BDEEHN
CC(C)C(C#N)C(=O)N(CCC#N)C1CC1	ZINC000044826617	167341039	/nfs/dbraw/zinc/34/10/39/167341039.db2.gz	RYRFZMDZBIMLHO-LLVKDONJSA-N	0	3	219.288	1.687	10	30		BDEEHN
CC(C)[C@@H](C)NC(=O)c1cncc(C#CCN)c1	ZINC000049629473	167381037	/nfs/dbraw/zinc/38/10/37/167381037.db2.gz	KNBPQMJBUVWLSC-LLVKDONJSA-N	0	3	245.326	1.166	10	30		BDEEHN
CC(C)[C@@H](C)NC(=O)c1ccccc1C#CCN	ZINC000037571778	167381157	/nfs/dbraw/zinc/38/11/57/167381157.db2.gz	SYFUTNYPSCSZGQ-GFCCVEGCSA-N	0	3	244.338	1.771	10	30		BDEEHN
CC(C)[C@@H](CN(C)C)Nc1ncccc1C#N	ZINC000049218928	167395050	/nfs/dbraw/zinc/39/50/50/167395050.db2.gz	MCYGNWCYFYLYEN-GFCCVEGCSA-N	0	3	232.331	1.951	10	30		BDEEHN
CCC(=O)NCc1cccc(C#CCN)c1	ZINC000049586498	168232733	/nfs/dbraw/zinc/23/27/33/168232733.db2.gz	DHYMHQSTBINJGK-UHFFFAOYSA-N	0	3	216.284	1.023	10	30		BDEEHN
CCNC(=O)N[C@H](C)c1ccc(C#CCN)cc1	ZINC000049587407	170082752	/nfs/dbraw/zinc/08/27/52/170082752.db2.gz	IPGJTNIPOUFKSW-LLVKDONJSA-N	0	3	245.326	1.377	10	30		BDEEHN
CCNC(=O)Nc1ccccc1C#CCN	ZINC000037471289	170085238	/nfs/dbraw/zinc/08/52/38/170085238.db2.gz	WSPQRKAICOOIIZ-UHFFFAOYSA-N	0	3	217.272	1.138	10	30		BDEEHN
CCOC(=O)C(C#N)Cc1ccccc1OC	ZINC000074467946	170244801	/nfs/dbraw/zinc/24/48/01/170244801.db2.gz	DCYCGIPEPUVABU-LLVKDONJSA-N	0	3	233.267	1.941	10	30		BDEEHN
CCOC(C#Cc1cnccc1N)OCC	ZINC000090471390	170311373	/nfs/dbraw/zinc/31/13/73/170311373.db2.gz	ISCNLXPMOLAULW-UHFFFAOYSA-N	0	3	220.272	1.414	10	30		BDEEHN
CCOCCC(=O)Nc1ccc(C#CCN)cc1	ZINC000053733903	170363266	/nfs/dbraw/zinc/36/32/66/170363266.db2.gz	AZZPOXZDXGAGDW-UHFFFAOYSA-N	0	3	246.310	1.362	10	30		BDEEHN
CN(C[C@H]1CCN(C)C1)c1ncccc1C#N	ZINC000071190189	173142532	/nfs/dbraw/zinc/14/25/32/173142532.db2.gz	JMGNRXQTPAKMMX-NSHDSACASA-N	0	3	230.315	1.341	10	30		BDEEHN
CN1CC[C@H](Nc2ccccc2C#N)C1	ZINC000042375206	173156513	/nfs/dbraw/zinc/15/65/13/173156513.db2.gz	AXVYEFBSFCKSLP-NSHDSACASA-N	0	3	201.273	1.674	10	30		BDEEHN
COCCCOc1ccc(C#CCN)cc1C	ZINC000063063081	174256790	/nfs/dbraw/zinc/25/67/90/174256790.db2.gz	VVKZPFGYHIXWFD-UHFFFAOYSA-N	0	3	233.311	1.721	10	30		BDEEHN
COc1ccc2c(c1)CCCC2=NNC(=N)N	ZINC000005361519	175207788	/nfs/dbraw/zinc/20/77/88/175207788.db2.gz	RIWPLLRKLPJXGL-RVDMUPIBSA-N	0	3	232.287	1.009	10	30		BDEEHN
COc1cccc([C@H](C#N)NCCN(C)C)c1	ZINC000020173298	175291638	/nfs/dbraw/zinc/29/16/38/175291638.db2.gz	HOQFBBZRMAWYMF-ZDUSSCGKSA-N	0	3	233.315	1.411	10	30		BDEEHN
C[C@@H]1CCCN1C(=O)c1cccc(C#CCN)c1	ZINC000037912569	176106903	/nfs/dbraw/zinc/10/69/03/176106903.db2.gz	QXEMDJTVODUVOX-GFCCVEGCSA-N	0	3	242.322	1.621	10	30		BDEEHN
C[C@@H]1COCCN1Cc1cccc(C#CCN)c1	ZINC000049609139	176337921	/nfs/dbraw/zinc/33/79/21/176337921.db2.gz	DDIQSRSANDJREL-CYBMUJFWSA-N	0	3	244.338	1.218	10	30		BDEEHN
C[C@H]1C[C@@H]1C(=O)Nc1ccc(C#CCN)cc1F	ZINC000037551354	177340980	/nfs/dbraw/zinc/34/09/80/177340980.db2.gz	AENNFXABUQRQIR-ONGXEEELSA-N	0	3	246.285	1.730	10	30		BDEEHN
CCC[C@H](C(=O)N(CC)C[C@@H](C)C#N)N(C)C	ZINC000161631776	323548377	/nfs/dbraw/zinc/54/83/77/323548377.db2.gz	AOGDIQXOSMEFKU-NWDGAFQWSA-N	0	3	239.363	1.725	10	30		BDEEHN
C[C@H](NCc1ccnc(C#N)c1)[C@H]1CCCO1	ZINC000068752485	488129505	/nfs/dbraw/zinc/12/95/05/488129505.db2.gz	AKBBZGSXXFWADN-GXFFZTMASA-N	0	3	231.299	1.610	10	30		BDEEHN
C=CCN[C@H](CO)c1cccc(OC)c1	ZINC000309080632	491144042	/nfs/dbraw/zinc/14/40/42/491144042.db2.gz	PBNGULQLSQSYFO-GFCCVEGCSA-N	0	3	207.273	1.504	10	30		BDEEHN
N#Cc1cccnc1N1CCN2CCC[C@@H]2C1	ZINC000091015624	518196805	/nfs/dbraw/zinc/19/68/05/518196805.db2.gz	JEUXRMUSEZIGPR-GFCCVEGCSA-N	0	3	228.299	1.238	10	30		BDEEHN
C=CC1CCN([C@@H]2CCCCNC2=O)CC1	ZINC000120215710	534532975	/nfs/dbraw/zinc/53/29/75/534532975.db2.gz	JUAXDSCZSZIBRE-GFCCVEGCSA-N	0	3	222.332	1.553	10	30		BDEEHN
C=CCCCC(=O)N1CCN2CCC[C@H]2C1	ZINC000175455675	534650606	/nfs/dbraw/zinc/65/06/06/534650606.db2.gz	KWXYTMAACQWBJV-LBPRGKRZSA-N	0	3	222.332	1.649	10	30		BDEEHN
CO[C@@H]1CC[C@H](N[C@H]2CCC[C@H]2C#N)C1	ZINC000300361798	582519062	/nfs/dbraw/zinc/51/90/62/582519062.db2.gz	ARBOZNDYPHVVKU-YFKTTZPYSA-N	0	3	208.305	1.836	10	30		BDEEHN
Cc1ccccc1[C@H](C)NC[C@H](O)CC#N	ZINC000309472265	633129576	/nfs/dbraw/zinc/12/95/76/633129576.db2.gz	REWPGHNXRNNNRZ-NWDGAFQWSA-N	0	3	218.300	1.920	10	30		BDEEHN
N#Cc1cnccc1[C@@H]1CCNC[C@@H]1F	ZINC000098091642	187328695	/nfs/dbraw/zinc/32/86/95/187328695.db2.gz	LOHFWBVSRHAFSN-QWRGUYRKSA-N	0	3	205.236	1.368	10	30		BDEEHN
Cc1ccc(C#N)c(N[C@H]2CCN(C)C2)c1	ZINC000051579737	178365588	/nfs/dbraw/zinc/36/55/88/178365588.db2.gz	DPWIITOMEIDPAT-LBPRGKRZSA-N	0	3	215.300	1.983	10	30		BDEEHN
C=CCNC[C@@H](O)COc1cccc(CC)c1	ZINC000033465462	187208236	/nfs/dbraw/zinc/20/82/36/187208236.db2.gz	ZBTLBFKPAHGPRS-CYBMUJFWSA-N	0	3	235.327	1.764	10	30		BDEEHN
C=CCNC[C@@H](O)COc1cccc(Cl)c1	ZINC000032100006	187208419	/nfs/dbraw/zinc/20/84/19/187208419.db2.gz	PQQORSXEVZMIOB-LLVKDONJSA-N	0	3	241.718	1.855	10	30		BDEEHN
O=C(Cc1cncnc1)N[C@H]1CCN(C2CC2)C1	ZINC000329773524	136262744	/nfs/dbraw/zinc/26/27/44/136262744.db2.gz	IBBYLPKYUJWLOP-NSHDSACASA-N	0	3	246.314	1.212	10	30		BDEEHN
CN(C)C(=O)CCCN[C@@H]1CCC[C@@H]1C#N	ZINC000309977155	343124596	/nfs/dbraw/zinc/12/45/96/343124596.db2.gz	UELALRWPSKLAOY-GHMZBOCLSA-N	0	3	223.320	1.137	10	30		BDEEHN
C=CC[C@H](N)C(=O)NCc1ccc(N(C)C)cc1	ZINC000083377439	187242566	/nfs/dbraw/zinc/24/25/66/187242566.db2.gz	APCPVPKPLCBQLU-ZDUSSCGKSA-N	0	3	247.342	1.272	10	30		BDEEHN
CCN1CC[C@@H](Nc2nccc(C)c2C#N)C1	ZINC000389234189	343624309	/nfs/dbraw/zinc/62/43/09/343624309.db2.gz	JGBNLPBRHYLZPM-LLVKDONJSA-N	0	3	230.315	1.768	10	30		BDEEHN
C#CCN[C@@H](C)c1ccc(NC(N)=O)cc1	ZINC000037184901	166191334	/nfs/dbraw/zinc/19/13/34/166191334.db2.gz	WMHXBANGJUHGJX-VIFPVBQESA-N	0	3	217.272	1.461	10	30		BDEEHN
N#CCN1CCN(C2CCCCCC2)CC1	ZINC000049818718	187269966	/nfs/dbraw/zinc/26/99/66/187269966.db2.gz	HRMRPFUNHXUTBY-UHFFFAOYSA-N	0	3	221.348	1.850	10	30		BDEEHN
CC(C)[C@H](C#N)C(=O)N(C)CCN1CCCC1	ZINC000063053016	187273885	/nfs/dbraw/zinc/27/38/85/187273885.db2.gz	HYGLJRFXPNSPAS-LBPRGKRZSA-N	0	3	237.347	1.336	10	30		BDEEHN
CC(C)(C)N/C(=N/N)[C@@H]1CCSC1	ZINC000070005298	343946146	/nfs/dbraw/zinc/94/61/46/343946146.db2.gz	NVVWEAQVHZYOBL-SSDOTTSWSA-N	0	3	201.339	1.400	10	30		BDEEHN
O=CCCN1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000220309873	344149161	/nfs/dbraw/zinc/14/91/61/344149161.db2.gz	ZFEWKMGQZKUEDS-NEPJUHHUSA-N	0	3	211.305	1.202	10	30		BDEEHN
N#CCCCN1CCN2CCCC[C@H]2C1	ZINC000093939135	344149758	/nfs/dbraw/zinc/14/97/58/344149758.db2.gz	UKOOEIHCAJYTSH-LBPRGKRZSA-N	0	3	207.321	1.460	10	30		BDEEHN
N#CCCCN1CCC[C@H](Cn2cncn2)C1	ZINC000105883538	344470955	/nfs/dbraw/zinc/47/09/55/344470955.db2.gz	BUFMNEVSGMDQTQ-LBPRGKRZSA-N	0	3	233.319	1.294	10	30		BDEEHN
C#Cc1cccc(NC(=O)CNCC2CC2)c1	ZINC000037612060	187292889	/nfs/dbraw/zinc/29/28/89/187292889.db2.gz	TUCZVVQVKJDHOD-UHFFFAOYSA-N	0	3	228.295	1.606	10	30		BDEEHN
N#Cc1cc(Cl)ccc1OC1CNC1	ZINC000062810020	347082410	/nfs/dbraw/zinc/08/24/10/347082410.db2.gz	BLTDVHVTRFSYDJ-UHFFFAOYSA-N	0	3	208.648	1.562	10	30		BDEEHN
COC[C@@H](C)NCc1ccnc(C#N)c1	ZINC000082669193	345664469	/nfs/dbraw/zinc/66/44/69/345664469.db2.gz	IGMPSPSWBRXIPH-SECBINFHSA-N	0	3	205.261	1.078	10	30		BDEEHN
C#Cc1cccc(NC(=O)[C@@H](N)CC(C)C)c1	ZINC000019474780	166222645	/nfs/dbraw/zinc/22/26/45/166222645.db2.gz	YLWSHEIFCNBEPM-ZDUSSCGKSA-N	0	3	230.311	1.980	10	30		BDEEHN
N#C[C@H]1CCC[C@H]1NCCCn1ccnc1	ZINC000309544864	347097949	/nfs/dbraw/zinc/09/79/49/347097949.db2.gz	ZKHYABKUYPREBF-VXGBXAGGSA-N	0	3	218.304	1.555	10	30		BDEEHN
C#CCN[C@@H]1CCCCCC[C@@H]1C(=O)OC	ZINC000390496740	259390891	/nfs/dbraw/zinc/39/08/91/259390891.db2.gz	SGHBMOKTZYRJAL-NWDGAFQWSA-N	0	3	223.316	1.721	10	30		BDEEHN
C[C@H](O)CCCN[C@@H]1CCCC[C@H]1C#N	ZINC000300370952	346531069	/nfs/dbraw/zinc/53/10/69/346531069.db2.gz	HSHWQCOAEMYCBO-SDDRHHMPSA-N	0	3	210.321	1.819	10	30		BDEEHN
Cn1cc(CCN[C@@H]2CCCC[C@H]2C#N)cn1	ZINC000128314695	346776305	/nfs/dbraw/zinc/77/63/05/346776305.db2.gz	STRIRKJLYZRVDN-QWHCGFSZSA-N	0	3	232.331	1.635	10	30		BDEEHN
Cc1ccccc1[C@H](C#N)NCCN(C)C	ZINC000019987222	179333316	/nfs/dbraw/zinc/33/33/16/179333316.db2.gz	RLMZRKDSGCHIMR-ZDUSSCGKSA-N	0	3	217.316	1.711	10	30		BDEEHN
N#Cc1ccc(CNC2CC(CO)C2)s1	ZINC000595000329	348168627	/nfs/dbraw/zinc/16/86/27/348168627.db2.gz	FDHHUILHFMZFNB-UHFFFAOYSA-N	0	3	222.313	1.480	10	30		BDEEHN
C[C@]1(C#N)CCN(C(=O)[C@@]2(C)CCCCN2)C1	ZINC000595979680	348414371	/nfs/dbraw/zinc/41/43/71/348414371.db2.gz	CIKSVFYIDVVWPF-CHWSQXEVSA-N	0	3	235.331	1.281	10	30		BDEEHN
C[C@H](N[C@H]1CCOC[C@H]1O)c1ccc(C#N)cc1	ZINC000599078745	349095462	/nfs/dbraw/zinc/09/54/62/349095462.db2.gz	ALINNDVYLMCTBD-LEWSCRJBSA-N	0	3	246.310	1.359	10	30		BDEEHN
CC(C)(O)CCN[C@@H]1CCCC[C@H]1C#N	ZINC000309019358	349305161	/nfs/dbraw/zinc/30/51/61/349305161.db2.gz	SUXKOPBFWCEWSN-WDEREUQCSA-N	0	3	210.321	1.819	10	30		BDEEHN
C=CCN1CCC[C@@H](c2nncn2CC)C1	ZINC000161274766	349413517	/nfs/dbraw/zinc/41/35/17/349413517.db2.gz	ASBROHXJNHGFRP-LLVKDONJSA-N	0	3	220.320	1.663	10	30		BDEEHN
CCN1CC[C@@H](NC(=O)C2(C#N)CCCCC2)C1	ZINC000334576734	350694664	/nfs/dbraw/zinc/69/46/64/350694664.db2.gz	CJUYYWSDQFUVAI-GFCCVEGCSA-N	0	3	249.358	1.671	10	30		BDEEHN
CCN1CCNC[C@@H]1c1ccccc1C#N	ZINC000616636771	351128940	/nfs/dbraw/zinc/12/89/40/351128940.db2.gz	CJUWRHBMNKHNHX-CYBMUJFWSA-N	0	3	215.300	1.524	10	30		BDEEHN
CN1CCO[C@H](c2cccc(C#N)c2)CC1	ZINC000616687426	351258784	/nfs/dbraw/zinc/25/87/84/351258784.db2.gz	YDNNEICROZYFOK-ZDUSSCGKSA-N	0	3	216.284	1.951	10	30		BDEEHN
C#CCN(C)c1cc(N)ncc1Br	ZINC000307028826	351430643	/nfs/dbraw/zinc/43/06/43/351430643.db2.gz	LHVNIIAZXDDAIA-UHFFFAOYSA-N	0	3	240.104	1.496	10	30		BDEEHN
Cc1cc(C#N)nc(N(C)C[C@@H]2CCN(C)C2)n1	ZINC000231901396	351453679	/nfs/dbraw/zinc/45/36/79/351453679.db2.gz	ZVHCBCBNLAVWDI-LLVKDONJSA-N	0	3	245.330	1.045	10	30		BDEEHN
N#Cc1cccc(Br)c1CN	ZINC000306984344	351407665	/nfs/dbraw/zinc/40/76/65/351407665.db2.gz	LZYJXFFZRQBBEA-UHFFFAOYSA-N	0	3	211.062	1.779	10	30		BDEEHN
O=C[C@H]1CCCN(CC2CC(F)(F)C2)C1	ZINC000307254211	351787977	/nfs/dbraw/zinc/78/79/77/351787977.db2.gz	XDFPEGKODXKZFY-VIFPVBQESA-N	0	3	217.259	1.943	10	30		BDEEHN
N#Cc1cccc(CNC(=O)[C@@H]2CCCCN2)c1	ZINC000037748627	187940381	/nfs/dbraw/zinc/94/03/81/187940381.db2.gz	DHVVYLLJQNQDPM-ZDUSSCGKSA-N	0	3	243.310	1.317	10	30		BDEEHN
C=CCNCCn1cnc2ccccc2c1=O	ZINC000053525978	188046618	/nfs/dbraw/zinc/04/66/18/188046618.db2.gz	HKDCYZOCPFXOJB-UHFFFAOYSA-N	0	3	229.283	1.172	10	30		BDEEHN
C=CC[C@H](C)NC(=O)[C@@H](CCC)N(C)C	ZINC000160647895	353269252	/nfs/dbraw/zinc/26/92/52/353269252.db2.gz	IUXZSZPCHWPDAO-WDEREUQCSA-N	0	3	212.337	1.798	10	30		BDEEHN
N#Cc1cc(CN)nc(C(F)(F)F)c1	ZINC000095766805	181084658	/nfs/dbraw/zinc/08/46/58/181084658.db2.gz	UCNGTWOCJUMOCI-UHFFFAOYSA-N	0	3	201.151	1.431	10	30		BDEEHN
N#Cc1ccc(OCCN2CCCC2)nc1	ZINC000040240106	181127615	/nfs/dbraw/zinc/12/76/15/181127615.db2.gz	PDLNHLRKZYVYJX-UHFFFAOYSA-N	0	3	217.272	1.428	10	30		BDEEHN
N#Cc1ccnc(N[C@@H]2CN3CCC2CC3)c1	ZINC000019474093	181157786	/nfs/dbraw/zinc/15/77/86/181157786.db2.gz	GONMWEHEHQCLGJ-GFCCVEGCSA-N	0	3	228.299	1.459	10	30		BDEEHN
C=C(Cl)CN1C[C@H]2CCCN2C[C@H]1C	ZINC000113518466	355239363	/nfs/dbraw/zinc/23/93/63/355239363.db2.gz	RAMNDJLSLMMNLA-GHMZBOCLSA-N	0	3	214.740	1.907	10	30		BDEEHN
N/C(CCN(C[C@H]1CCCCO1)C1CC1)=N/O	ZINC000042546113	181182714	/nfs/dbraw/zinc/18/27/14/181182714.db2.gz	HABKFPDBWUEBCC-LLVKDONJSA-N	0	3	241.335	1.156	10	30		BDEEHN
CC#CCN1CCN(CCOCC)[C@H](CC)C1	ZINC000119175613	134225352	/nfs/dbraw/zinc/22/53/52/134225352.db2.gz	SWPFHYRXZMSOMX-CQSZACIVSA-N	0	3	238.375	1.442	10	30		BDEEHN
CN(C)CC[C@@]1(C#N)Cc2ccccc21	ZINC000584599907	358256519	/nfs/dbraw/zinc/25/65/19/358256519.db2.gz	YFQKKCABYBVECZ-ZDUSSCGKSA-N	0	3	200.285	1.956	10	30		BDEEHN
OCC[C@H]1CCN(CC#Cc2ccccc2)C1	ZINC000124303707	358516053	/nfs/dbraw/zinc/51/60/53/358516053.db2.gz	ONUWNBISOXYARA-OAHLLOKOSA-N	0	3	229.323	1.742	10	30		BDEEHN
N[C@H](C#Cc1ccccc1)CC1OCCO1	ZINC000306156959	358948044	/nfs/dbraw/zinc/94/80/44/358948044.db2.gz	MOLCEVFCXQIJHD-GFCCVEGCSA-N	0	3	217.268	1.128	10	30		BDEEHN
N#Cc1sc(OC2CNC2)nc1Cl	ZINC000306185238	359002277	/nfs/dbraw/zinc/00/22/77/359002277.db2.gz	GQQKIIOWRGLZIO-UHFFFAOYSA-N	0	3	215.665	1.019	10	30		BDEEHN
C=CC[C@@H](C)NC(=O)N[C@@H]1CCCN(CC)C1	ZINC000247059082	359191213	/nfs/dbraw/zinc/19/12/13/359191213.db2.gz	JZCGPYJWWDBAIR-VXGBXAGGSA-N	0	3	239.363	1.735	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1NC[C@@H]1CCC[C@@H](O)C1	ZINC000224402619	359608022	/nfs/dbraw/zinc/60/80/22/359608022.db2.gz	XOKFHYBAKMVQPT-XQHKEYJVSA-N	0	3	222.332	1.819	10	30		BDEEHN
C#CCOc1ccc(Cl)cc1CNCCO	ZINC000045945562	359745335	/nfs/dbraw/zinc/74/53/35/359745335.db2.gz	SMLBQRJOIYWDFS-UHFFFAOYSA-N	0	3	239.702	1.434	10	30		BDEEHN
NCC#Cc1cccc(OC[C@H]2CCOC2)c1	ZINC000049689767	181346129	/nfs/dbraw/zinc/34/61/29/181346129.db2.gz	JLYQLAAQUOZBLN-ZDUSSCGKSA-N	0	3	231.295	1.412	10	30		BDEEHN
NCC#Cc1ccccc1CN1CCCC1=O	ZINC000049587717	181346193	/nfs/dbraw/zinc/34/61/93/181346193.db2.gz	UTYXGKMARNKQKF-UHFFFAOYSA-N	0	3	228.295	1.119	10	30		BDEEHN
NCC#Cc1cccc(CNC(=O)C2CC2)c1	ZINC000049586511	181346491	/nfs/dbraw/zinc/34/64/91/181346491.db2.gz	XMDBVPQIWBHOPA-UHFFFAOYSA-N	0	3	228.295	1.023	10	30		BDEEHN
CN(C)[C@H]1CCN(C(=O)c2sccc2C#N)C1	ZINC000170864161	364545065	/nfs/dbraw/zinc/54/50/65/364545065.db2.gz	MDOAUGSJOMDWDW-JTQLQIEISA-N	0	3	249.339	1.396	10	30		BDEEHN
COC(=O)C[C@H](N)c1ccc(C#N)c(F)c1	ZINC000205411430	369013809	/nfs/dbraw/zinc/01/38/09/369013809.db2.gz	DEMGBZMBIBPQHB-JTQLQIEISA-N	0	3	222.219	1.260	10	30		BDEEHN
C=CCCCN1CC[C@@H]2OCCN[C@H]2C1	ZINC000404079314	369418538	/nfs/dbraw/zinc/41/85/38/369418538.db2.gz	OTHUZUCDTGCGSU-RYUDHWBXSA-N	0	3	210.321	1.015	10	30		BDEEHN
COC[C@H](C)CN[C@@H]1CCCC[C@H]1C#N	ZINC000251133531	369679680	/nfs/dbraw/zinc/67/96/80/369679680.db2.gz	UTUIASWCCCAEIQ-GRYCIOLGSA-N	0	3	210.321	1.941	10	30		BDEEHN
N#Cc1cc(F)c(N2CCNCC2)nc1Cl	ZINC000409424256	369975379	/nfs/dbraw/zinc/97/53/79/369975379.db2.gz	GITOILZJXVGTCG-UHFFFAOYSA-N	0	3	240.669	1.155	10	30		BDEEHN
C=C([C@H](N)[C@@H]1OCC[C@@H]1C)C(F)(F)F	ZINC000307759505	372145905	/nfs/dbraw/zinc/14/59/05/372145905.db2.gz	RXDPDZGADJTTDC-APQOSEDMSA-N	0	3	209.211	1.857	10	30		BDEEHN
O[C@@H]1CCCC[C@@H]1NCC#Cc1ccccc1	ZINC000052015480	183188941	/nfs/dbraw/zinc/18/89/41/183188941.db2.gz	VMSMYHQMZJTVEM-LSDHHAIUSA-N	0	3	229.323	1.931	10	30		BDEEHN
CCCN(C)Cc1ccc(C#CCN)cc1F	ZINC000049608979	169081414	/nfs/dbraw/zinc/08/14/14/169081414.db2.gz	AGHVJAXFODCAKN-UHFFFAOYSA-N	0	3	234.318	1.978	10	30		BDEEHN
Oc1cccc2c1CCN[C@H]2CCS	ZINC000083703591	183295629	/nfs/dbraw/zinc/29/56/29/183295629.db2.gz	YIARJERCQZPSGF-JTQLQIEISA-N	0	3	209.314	1.899	10	30		BDEEHN
CO[C@H]1C[C@H](CO)N(Cc2ccc(C#N)cc2)C1	ZINC000343992211	383903671	/nfs/dbraw/zinc/90/36/71/383903671.db2.gz	VNFVXWMPOSZIFX-KGLIPLIRSA-N	0	3	246.310	1.140	10	30		BDEEHN
CO[C@H]1CC[C@H](c2ccc(C#N)cc2)NC1	ZINC000584599208	385466430	/nfs/dbraw/zinc/46/64/30/385466430.db2.gz	UGNSEYXOGNAMLX-QWHCGFSZSA-N	0	3	216.284	1.998	10	30		BDEEHN
CCC[C@H](C(=O)NCCCCC#N)N(C)C	ZINC000179213569	386619670	/nfs/dbraw/zinc/61/96/70/386619670.db2.gz	RBFYYJSPDQLXNH-LLVKDONJSA-N	0	3	225.336	1.527	10	30		BDEEHN
CCNCC#Cc1ccc(Br)cn1	ZINC000575508801	387391541	/nfs/dbraw/zinc/39/15/41/387391541.db2.gz	SUIVHIXJRHAIAJ-UHFFFAOYSA-N	0	3	239.116	1.805	10	30		BDEEHN
N#Cc1ncccc1N1CCN2CCC[C@@H]2C1	ZINC000130073953	387520067	/nfs/dbraw/zinc/52/00/67/387520067.db2.gz	HSZOBFIRVXOHPO-LLVKDONJSA-N	0	3	228.299	1.238	10	30		BDEEHN
C[C@@H]1C[C@H]1NCc1cnc2ccc(C#N)cn12	ZINC000123626380	387588782	/nfs/dbraw/zinc/58/87/82/387588782.db2.gz	ATPWIELURRZVOL-BXKDBHETSA-N	0	3	226.283	1.704	10	30		BDEEHN
C#CCN1CC[C@H](CNc2cccc(C)n2)C1	ZINC000195516153	387922790	/nfs/dbraw/zinc/92/27/90/387922790.db2.gz	AJLYIYGZTIIUIJ-CYBMUJFWSA-N	0	3	229.327	1.757	10	30		BDEEHN
C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(C)(C)C#N	ZINC000083550517	388055399	/nfs/dbraw/zinc/05/53/99/388055399.db2.gz	WLLDFFGPRQUGEM-WDEREUQCSA-N	0	3	235.331	1.231	10	30		BDEEHN
C#CCN(C)CCCNc1nccnc1C(C)C	ZINC000491784302	388320884	/nfs/dbraw/zinc/32/08/84/388320884.db2.gz	KSTJYRWIYTYGAK-UHFFFAOYSA-N	0	3	246.358	1.967	10	30		BDEEHN
CN[C@H](C)C(=O)Nc1cccc(C#N)c1	ZINC000055421347	388598869	/nfs/dbraw/zinc/59/88/69/388598869.db2.gz	NDEKBDFVDZJWDR-MRVPVSSYSA-N	0	3	203.245	1.105	10	30		BDEEHN
C[C@@H]1NC(=O)CC[C@@H]1NCc1ccc(C#N)cc1	ZINC000281513893	388804362	/nfs/dbraw/zinc/80/43/62/388804362.db2.gz	AGFWVXXVURVFDB-GWCFXTLKSA-N	0	3	243.310	1.315	10	30		BDEEHN
Cc1cc(C#N)cc(N2CCN3CCC[C@@H]3C2)n1	ZINC000161094131	133511973	/nfs/dbraw/zinc/51/19/73/133511973.db2.gz	FGQPKCXSGVAJNP-CYBMUJFWSA-N	0	3	242.326	1.546	10	30		BDEEHN
C[C@H](C#N)N1CCN(CCC(C)(C)C)CC1	ZINC000070995399	135017238	/nfs/dbraw/zinc/01/72/38/135017238.db2.gz	UXIFXVHUDHPQQN-GFCCVEGCSA-N	0	3	223.364	1.952	10	30		BDEEHN
C[C@H](c1ccc(C#N)cc1)N1C[C@@H](O)C[C@@H]1CO	ZINC000249281527	135027107	/nfs/dbraw/zinc/02/71/07/135027107.db2.gz	GSIDJEGNCNOUSR-HONMWMINSA-N	0	3	246.310	1.047	10	30		BDEEHN
C[C@@H]1C[C@H](N[C@H]2CCC[C@H]2C#N)CCO1	ZINC000251719873	135075346	/nfs/dbraw/zinc/07/53/46/135075346.db2.gz	BYUXQIRWYPVZJZ-KXNHARMFSA-N	0	3	208.305	1.836	10	30		BDEEHN
C[C@H]1CN2CCCC[C@H]2CN1CCCC#N	ZINC000252660730	135094763	/nfs/dbraw/zinc/09/47/63/135094763.db2.gz	CSBPTVZYGVHUKS-STQMWFEESA-N	0	3	221.348	1.849	10	30		BDEEHN
C=C(Cl)CN[C@@H]1CCC[C@H]1[C@H]1COCCN1	ZINC000262030484	135274036	/nfs/dbraw/zinc/27/40/36/135274036.db2.gz	XMNUQJDEZFDTGA-IJLUTSLNSA-N	0	3	244.766	1.486	10	30		BDEEHN
C#Cc1cccc(NC(=O)[C@H](N)[C@H](C)CC)c1	ZINC000019439178	166223157	/nfs/dbraw/zinc/22/31/57/166223157.db2.gz	UJROHDYWJBVBEC-ZWNOBZJWSA-N	0	3	230.311	1.980	10	30		BDEEHN
C=CCN(CCc1ccco1)C(=O)[C@@H](C)N	ZINC000262099823	166344708	/nfs/dbraw/zinc/34/47/08/166344708.db2.gz	CNINWJFDJBNPFN-SNVBAGLBSA-N	0	3	222.288	1.184	10	30		BDEEHN
C=CCN(Cc1ccc(CC)cc1)C(=O)CN	ZINC000032089647	166346026	/nfs/dbraw/zinc/34/60/26/166346026.db2.gz	LDVCUODCXJWTGI-UHFFFAOYSA-N	0	3	232.327	1.722	10	30		BDEEHN
CC(C)N1C[C@@H](C)[C@@H](NCc2ccc(C#N)o2)C1	ZINC000154076222	167029042	/nfs/dbraw/zinc/02/90/42/167029042.db2.gz	RERNFKFZCDBLHS-RISCZKNCSA-N	0	3	247.342	1.970	10	30		BDEEHN
CC(C)NC(=O)NCc1cccc(C#CCN)c1	ZINC000049587500	167073476	/nfs/dbraw/zinc/07/34/76/167073476.db2.gz	AJCOLUSPCOFVBU-UHFFFAOYSA-N	0	3	245.326	1.204	10	30		BDEEHN
CC(C)[C@@H](C)NC(=O)c1cccc(C#CCN)c1	ZINC000037571782	167379076	/nfs/dbraw/zinc/37/90/76/167379076.db2.gz	XCBDJKYYXLZAAB-GFCCVEGCSA-N	0	3	244.338	1.771	10	30		BDEEHN
C=CCOCCCNC(=O)[C@@]1(C)CCCCN1	ZINC000662664339	412263743	/nfs/dbraw/zinc/26/37/43/412263743.db2.gz	RTFLUAAGQVMVGH-CYBMUJFWSA-N	0	3	240.347	1.228	10	30		BDEEHN
CN1CCC[C@H](Nc2ccc(C#N)cn2)C1	ZINC000042277161	173046666	/nfs/dbraw/zinc/04/66/66/173046666.db2.gz	BTSLFDHQQGWSRD-NSHDSACASA-N	0	3	216.288	1.459	10	30		BDEEHN
CN1CC[C@@H](Nc2ccc(C#N)cn2)C1	ZINC000048738710	173125296	/nfs/dbraw/zinc/12/52/96/173125296.db2.gz	LHVHFIBVHOKGHH-SNVBAGLBSA-N	0	3	202.261	1.069	10	30		BDEEHN
CNCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000040414533	173334730	/nfs/dbraw/zinc/33/47/30/173334730.db2.gz	BZRAHTNJMXQKIB-UHFFFAOYSA-N	0	3	235.312	1.266	10	30		BDEEHN
COCCCOc1ccc(C)cc1C#CCN	ZINC000037754258	174256800	/nfs/dbraw/zinc/25/68/00/174256800.db2.gz	BLDFPBFTDIAIBH-UHFFFAOYSA-N	0	3	233.311	1.721	10	30		BDEEHN
COc1ccccc1[C@@H](CN)N(CC#N)CC#N	ZINC000043096962	175346295	/nfs/dbraw/zinc/34/62/95/175346295.db2.gz	OEAIDJMBELWDRC-GFCCVEGCSA-N	0	3	244.298	1.044	10	30		BDEEHN
C[C@@H](S)[C@@H]1NCCc2c(O)cccc21	ZINC000083703579	176007375	/nfs/dbraw/zinc/00/73/75/176007375.db2.gz	ZOIURIRUHOYREX-HQJQHLMTSA-N	0	3	209.314	1.897	10	30		BDEEHN
c1cc2cc(NC3=NCCN3)cnc2o1	ZINC000146307095	487799295	/nfs/dbraw/zinc/79/92/95/487799295.db2.gz	ADEZWLBYWPDFFM-UHFFFAOYSA-N	0	3	202.217	1.008	10	30		BDEEHN
N#Cc1ccc(CN[C@H]2CCC[C@@H](O)C2)o1	ZINC000135482913	487973362	/nfs/dbraw/zinc/97/33/62/487973362.db2.gz	CNUOQVHPAWXTFM-VHSXEESVSA-N	0	3	220.272	1.544	10	30		BDEEHN
CC#CCN1C[C@H]2CCCCN2C[C@@H]1CC	ZINC000129811569	490170804	/nfs/dbraw/zinc/17/08/04/490170804.db2.gz	UGOZCXCRYLHKNY-UONOGXRCSA-N	0	3	220.360	1.958	10	30		BDEEHN
C=C(Cl)CN1CCN2CCCC[C@@H]2C1	ZINC000125291462	534437997	/nfs/dbraw/zinc/43/79/97/534437997.db2.gz	GVIKWTVSPGPTOJ-LLVKDONJSA-N	0	3	214.740	1.909	10	30		BDEEHN
C=CCCC[C@H](C)NC(=O)[C@@H](N)CCC	ZINC000183052523	534759700	/nfs/dbraw/zinc/75/97/00/534759700.db2.gz	ILPRHRFYJNRCHM-QWRGUYRKSA-N	0	3	212.337	1.975	10	30		BDEEHN
CC(C)N1CCN(c2ccc(C#N)cc2N)CC1	ZINC000036170626	535202645	/nfs/dbraw/zinc/20/26/45/535202645.db2.gz	ZPJNDJUXTXEYPN-UHFFFAOYSA-N	0	3	244.342	1.671	10	30		BDEEHN
Cc1cnn(CCNCC#Cc2ccccc2)c1	ZINC000235946633	636719349	/nfs/dbraw/zinc/71/93/49/636719349.db2.gz	BQQIGACOJYEQME-UHFFFAOYSA-N	0	3	239.322	1.833	10	30		BDEEHN
Cc1ccccc1[C@H](C)NCC(=O)NCCC#N	ZINC000042224765	637087592	/nfs/dbraw/zinc/08/75/92/637087592.db2.gz	JYWQTCVLABCNOB-LBPRGKRZSA-N	0	3	245.326	1.676	10	30		BDEEHN
N#C[C@@H]1CCCC[C@@H]1NC[C@H](O)C1CC1	ZINC000070884745	642447889	/nfs/dbraw/zinc/44/78/89/642447889.db2.gz	ICSJQYCILJBCES-SRVKXCTJSA-N	0	3	208.305	1.429	10	30		BDEEHN
CC(=O)[C@@H]1CCCN(CC2(CC#N)CC2)C1	ZINC000083854524	643544095	/nfs/dbraw/zinc/54/40/95/643544095.db2.gz	FWBORTOUNTXUFH-GFCCVEGCSA-N	0	3	220.316	1.981	10	30		BDEEHN
COCC1CC(NCc2ccc(C#N)o2)C1	ZINC000714007667	712477496	/nfs/dbraw/zinc/47/74/96/712477496.db2.gz	MZWOPMPSTUFVHA-UHFFFAOYSA-N	0	3	220.272	1.666	10	30		BDEEHN
C=CC(=O)[C@H](N)[C@H](C)OCc1ccccc1	ZINC000685961623	538908471	/nfs/dbraw/zinc/90/84/71/538908471.db2.gz	MGDYSIMJFMKNCM-GXFFZTMASA-N	0	3	219.284	1.674	10	30		BDEEHN
C=CCC[C@H](CO)NCc1cnn(C)c1C	ZINC000320302886	398151428	/nfs/dbraw/zinc/15/14/28/398151428.db2.gz	SJJRVMZWEFAORI-GFCCVEGCSA-N	0	3	223.320	1.145	10	30		BDEEHN
CC(C)(C)[C@H](O)CN[C@H]1CCC[C@@H]1C#N	ZINC000308999123	136217195	/nfs/dbraw/zinc/21/71/95/136217195.db2.gz	NLNOGLHYJHLOJK-OUAUKWLOSA-N	0	3	210.321	1.675	10	30		BDEEHN
Cc1cc(N2CC(N(C)C)C2)c(C#N)c(C)n1	ZINC000301927729	178112699	/nfs/dbraw/zinc/11/26/99/178112699.db2.gz	ZJWCUHYUCDOYDN-UHFFFAOYSA-N	0	3	230.315	1.320	10	30		BDEEHN
Cn1cc(CNCC2(CO)CCC2)cc1C#N	ZINC000191590352	136228655	/nfs/dbraw/zinc/22/86/55/136228655.db2.gz	SDDTYJQIBCHWCL-UHFFFAOYSA-N	0	3	233.315	1.149	10	30		BDEEHN
CCN(CC)CC#CCN1C(=O)CC[C@@H]1C	ZINC000027761901	187207952	/nfs/dbraw/zinc/20/79/52/187207952.db2.gz	JAQGGIPGDYWRJW-LBPRGKRZSA-N	0	3	222.332	1.343	10	30		BDEEHN
C=CCNC[C@H](O)COc1cc(C)ccc1C	ZINC000033465467	187208140	/nfs/dbraw/zinc/20/81/40/187208140.db2.gz	MYIJZTRLYXHQMA-ZDUSSCGKSA-N	0	3	235.327	1.819	10	30		BDEEHN
C#CCCN1CCC[C@@H]1c1cnn(C)c1	ZINC000270605804	187237022	/nfs/dbraw/zinc/23/70/22/187237022.db2.gz	MLPFXGGGHVHLJW-GFCCVEGCSA-N	0	3	203.289	1.580	10	30		BDEEHN
CC(C)(CNCC(=O)NCC#N)c1ccccc1	ZINC000037935093	187261307	/nfs/dbraw/zinc/26/13/07/187261307.db2.gz	BWYJUMSLKIBRSL-UHFFFAOYSA-N	0	3	245.326	1.194	10	30		BDEEHN
CN1CCNC[C@@H]1c1ccc(C#N)cc1	ZINC000616638382	343528834	/nfs/dbraw/zinc/52/88/34/343528834.db2.gz	YHDIRESDLLUXRM-GFCCVEGCSA-N	0	3	201.273	1.134	10	30		BDEEHN
Cc1nccn1CCN[C@H]1CCCC[C@H]1C#N	ZINC000379918484	343655155	/nfs/dbraw/zinc/65/51/55/343655155.db2.gz	PJGWWPVWQAQRRD-STQMWFEESA-N	0	3	232.331	1.864	10	30		BDEEHN
CCC[C@@H](C#N)C(=O)N(C)[C@@H]1CCCN(C)C1	ZINC000053246049	187271379	/nfs/dbraw/zinc/27/13/79/187271379.db2.gz	BNPWXKVAHROSPX-NWDGAFQWSA-N	0	3	237.347	1.479	10	30		BDEEHN
CCC[C@@H](C#N)C(=O)N(C)[C@H]1CCCN(C)C1	ZINC000053246051	187271428	/nfs/dbraw/zinc/27/14/28/187271428.db2.gz	BNPWXKVAHROSPX-RYUDHWBXSA-N	0	3	237.347	1.479	10	30		BDEEHN
N#C[C@H](c1ccc(Cl)cc1)N1CC(N)C1	ZINC000409440857	343856061	/nfs/dbraw/zinc/85/60/61/343856061.db2.gz	MLDFXCMYVOIGKS-LLVKDONJSA-N	0	3	221.691	1.548	10	30		BDEEHN
C#CCn1nc(-c2cccnc2)cc1CN	ZINC000409443896	343863520	/nfs/dbraw/zinc/86/35/20/343863520.db2.gz	WGCXITDPUCBYIM-UHFFFAOYSA-N	0	3	212.256	1.037	10	30		BDEEHN
C#CCN[C@H]1CCCC[C@H]1n1cccn1	ZINC000128514812	344206611	/nfs/dbraw/zinc/20/66/11/344206611.db2.gz	VTAPDFPNLAXOEU-NWDGAFQWSA-N	0	3	203.289	1.590	10	30		BDEEHN
C[C@@H]1CN(C/C=C/CS)C[C@H](C)N1C	ZINC000127974432	344701927	/nfs/dbraw/zinc/70/19/27/344701927.db2.gz	PQCDGQCHIGNTRO-UZPIOYONSA-N	0	3	214.378	1.497	10	30		BDEEHN
C=CC[C@H](N)C(=O)Nc1nc(C)cs1	ZINC000128119906	344956542	/nfs/dbraw/zinc/95/65/42/344956542.db2.gz	MHQFPRQPTQTIFX-ZETCQYMHSA-N	0	3	211.290	1.293	10	30		BDEEHN
CN1CCC[C@@H]1CN[C@H]1CCC[C@H]1C#N	ZINC000300358117	345795574	/nfs/dbraw/zinc/79/55/74/345795574.db2.gz	BPYUCMXNIXNWKJ-TUAOUCFPSA-N	0	3	207.321	1.362	10	30		BDEEHN
CCN1CC[C@H](Nc2ncccc2C#N)C1	ZINC000389398169	345931177	/nfs/dbraw/zinc/93/11/77/345931177.db2.gz	KCVQUQFPZISRLE-NSHDSACASA-N	0	3	216.288	1.459	10	30		BDEEHN
Cc1ccccc1[C@H](C)NCC(=O)NCC#N	ZINC000049525933	179337304	/nfs/dbraw/zinc/33/73/04/179337304.db2.gz	XXDXHEWIBNRDRB-NSHDSACASA-N	0	3	231.299	1.285	10	30		BDEEHN
CC(C)[C@@H](C)NC(=O)[C@H](N)CCCCC#N	ZINC000594427464	348043820	/nfs/dbraw/zinc/04/38/20/348043820.db2.gz	UUPANFFKRAOUQN-GHMZBOCLSA-N	0	3	225.336	1.558	10	30		BDEEHN
CCN1CC[C@H](NC(=O)C2(C#N)CCCC2)C1	ZINC000334579777	350699484	/nfs/dbraw/zinc/69/94/84/350699484.db2.gz	OTLCLPPTOUYUBG-NSHDSACASA-N	0	3	235.331	1.281	10	30		BDEEHN
C=C(Br)CN[C@H]1CCCC[C@H]1O	ZINC000052013784	350887087	/nfs/dbraw/zinc/88/70/87/350887087.db2.gz	ZCUXZBQVSABKFV-DTWKUNHWSA-N	0	3	234.137	1.788	10	30		BDEEHN
C=CCNCC(=O)NCc1ccccc1	ZINC000034937053	351351355	/nfs/dbraw/zinc/35/13/55/351351355.db2.gz	YFCOINAGJDQYEW-UHFFFAOYSA-N	0	3	204.273	1.078	10	30		BDEEHN
N#Cc1cccc(-c2ccc(CN)cn2)n1	ZINC000072204189	187940329	/nfs/dbraw/zinc/94/03/29/187940329.db2.gz	PSGBZZGDOYHBQQ-UHFFFAOYSA-N	0	3	210.240	1.474	10	30		BDEEHN
Cc1cc(C)n(Cc2cccc(C#CCN)c2)n1	ZINC000049610100	188045701	/nfs/dbraw/zinc/04/57/01/188045701.db2.gz	SSEWOKJSHHRKGE-UHFFFAOYSA-N	0	3	239.322	1.858	10	30		BDEEHN
C#Cc1cccc(NC(=O)C(C)(C)NC)c1	ZINC000061300281	188049870	/nfs/dbraw/zinc/04/98/70/188049870.db2.gz	IFTRGWXRJDLAHS-UHFFFAOYSA-N	0	3	216.284	1.604	10	30		BDEEHN
CC1(CN[C@H]2CCCC[C@H]2C#N)COC1	ZINC000087197470	353944611	/nfs/dbraw/zinc/94/46/11/353944611.db2.gz	UIBWTONDMVJYSU-QWRGUYRKSA-N	0	3	208.305	1.695	10	30		BDEEHN
N#C[C@@H]1CCCC[C@@H]1NCCn1ccnc1	ZINC000054826392	181058873	/nfs/dbraw/zinc/05/88/73/181058873.db2.gz	XCORIUIFWXNTHW-RYUDHWBXSA-N	0	3	218.304	1.555	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1NCC1CCOCC1	ZINC000061892673	181059914	/nfs/dbraw/zinc/05/99/14/181059914.db2.gz	WLVKPYDSLCSZDB-RYUDHWBXSA-N	0	3	208.305	1.695	10	30		BDEEHN
N#C[C@H]1CCC[C@@H]1NCCN1CCCCC1	ZINC000054827335	181068720	/nfs/dbraw/zinc/06/87/20/181068720.db2.gz	SAGLGQIWNSXHOV-OLZOCXBDSA-N	0	3	221.348	1.754	10	30		BDEEHN
N#Cc1ccsc1NC(=O)CNC1CC1	ZINC000040415429	181160457	/nfs/dbraw/zinc/16/04/57/181160457.db2.gz	MFCOBEXVBZZVBR-UHFFFAOYSA-N	0	3	221.285	1.310	10	30		BDEEHN
CCN1CC[C@@H](NC(=O)C2(C#N)CC(C)C2)C1	ZINC000389752582	357026070	/nfs/dbraw/zinc/02/60/70/357026070.db2.gz	VTHDAXXZWZFNGK-QWKFWESOSA-N	0	3	235.331	1.137	10	30		BDEEHN
C#C[C@H](NC)[C@@H]1CS[C@H](C)[C@H](C)S1	ZINC000300032723	357174448	/nfs/dbraw/zinc/17/44/48/357174448.db2.gz	VVQJHPJQGFESRA-KATARQTJSA-N	0	3	215.387	1.833	10	30		BDEEHN
C=CCC1(C(=O)N2CC[C@@H](N(C)C)C2)CCC1	ZINC000191183196	357739927	/nfs/dbraw/zinc/73/99/27/357739927.db2.gz	AJUMWBMWKKNDTQ-GFCCVEGCSA-N	0	3	236.359	1.895	10	30		BDEEHN
C#CCCCC(=O)N1CCN2CCC[C@H]2C1	ZINC000192114770	357823056	/nfs/dbraw/zinc/82/30/56/357823056.db2.gz	HYXLXAFAIRJCPU-LBPRGKRZSA-N	0	3	220.316	1.097	10	30		BDEEHN
CCOC1CC(N[C@@H]2CCC[C@@H]2C#N)C1	ZINC000169197615	134249326	/nfs/dbraw/zinc/24/93/26/134249326.db2.gz	XKEKNPXIUOGCMH-HBIQZDMRSA-N	0	3	208.305	1.836	10	30		BDEEHN
C=CCNC[C@@H](O)[C@H]1CCc2ccccc2O1	ZINC000584626619	358295794	/nfs/dbraw/zinc/29/57/94/358295794.db2.gz	VUNDEVOKFIWHHG-TZMCWYRMSA-N	0	3	233.311	1.517	10	30		BDEEHN
CN1CCCC[C@H]1COc1cc(N)ncc1C#N	ZINC000584633288	358317039	/nfs/dbraw/zinc/31/70/39/358317039.db2.gz	ZFBJSCXCNUSANI-NSHDSACASA-N	0	3	246.314	1.229	10	30		BDEEHN
CC(C)C[C@H](CN(C)C)NC(=O)[C@H](C)C#N	ZINC000044825893	358556448	/nfs/dbraw/zinc/55/64/48/358556448.db2.gz	GWAJNFHKVGCZQX-GHMZBOCLSA-N	0	3	225.336	1.239	10	30		BDEEHN
C=C[C@](C)(CC)C(=O)N1CC[C@@H](N(C)C)C1	ZINC000135017249	358816854	/nfs/dbraw/zinc/81/68/54/358816854.db2.gz	QRFVDQFPALHICI-DGCLKSJQSA-N	0	3	224.348	1.751	10	30		BDEEHN
C=C(CS)CN1CC[C@H](C)[C@H](O)C1	ZINC000299965726	358957839	/nfs/dbraw/zinc/95/78/39/358957839.db2.gz	MPIRDIGPLDCQDE-VHSXEESVSA-N	0	3	201.335	1.175	10	30		BDEEHN
CN(CCCOCc1ccccc1)C[C@@H]1CO1	ZINC000306524160	360367485	/nfs/dbraw/zinc/36/74/85/360367485.db2.gz	XLAAKLKGLFSIID-CQSZACIVSA-N	0	3	235.327	1.924	10	30		BDEEHN
NCC#Cc1cccc(NC(=O)c2ccco2)n1	ZINC000037552247	181345868	/nfs/dbraw/zinc/34/58/68/181345868.db2.gz	UYRIROBQLPNGSB-UHFFFAOYSA-N	0	3	241.250	1.237	10	30		BDEEHN
NCC#Cc1ccc(CO[C@@H]2CCOC2)c(F)c1	ZINC000104102822	181346525	/nfs/dbraw/zinc/34/65/25/181346525.db2.gz	GLQPDURMJFUAIN-CYBMUJFWSA-N	0	3	249.285	1.441	10	30		BDEEHN
N#C[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@H]1O	ZINC000251425230	369799089	/nfs/dbraw/zinc/79/90/89/369799089.db2.gz	STHNCTOFSRCQCK-WUHRBBMRSA-N	0	3	222.332	1.962	10	30		BDEEHN
C#C[C@H](NC)[C@H]1SCCS[C@@H]1C	ZINC000228122265	371994106	/nfs/dbraw/zinc/99/41/06/371994106.db2.gz	XMLGBHVHIZCTMR-VGMNWLOBSA-N	0	3	201.360	1.445	10	30		BDEEHN
CCN(CCC#N)[C@@H](CN)c1ccc(OC)cc1	ZINC000042961863	169815272	/nfs/dbraw/zinc/81/52/72/169815272.db2.gz	MLNTZUYIZMBNBX-AWEZNQCLSA-N	0	3	247.342	1.931	10	30		BDEEHN
O[C@H]1CCCC[C@H]1NCC#Cc1ccccc1	ZINC000052015470	183232274	/nfs/dbraw/zinc/23/22/74/183232274.db2.gz	VMSMYHQMZJTVEM-CABCVRRESA-N	0	3	229.323	1.931	10	30		BDEEHN
CCCOCCOc1cccc(C#CCN)c1	ZINC000049611047	169309600	/nfs/dbraw/zinc/30/96/00/169309600.db2.gz	JWYNIXXNCXLKPQ-UHFFFAOYSA-N	0	3	233.311	1.802	10	30		BDEEHN
CCC[C@@H](C#N)C(=O)N1CC[C@@H](N2CCCC2)C1	ZINC000104015019	169343380	/nfs/dbraw/zinc/34/33/80/169343380.db2.gz	PRVSFKBIBIAPSC-QWHCGFSZSA-N	0	3	249.358	1.623	10	30		BDEEHN
Cc1cnc([C@H](C)NC(=O)C(C)C#N)o1	ZINC000226615377	134368105	/nfs/dbraw/zinc/36/81/05/134368105.db2.gz	SVDFOQKUJROTJC-SVRRBLITSA-N	0	3	207.233	1.320	10	30		BDEEHN
C[C@@H]1NC(=O)CC[C@H]1NCc1cc(C#N)cs1	ZINC000336172982	383984162	/nfs/dbraw/zinc/98/41/62/383984162.db2.gz	LSOGPPLVWQLWSK-GZMMTYOYSA-N	0	3	249.339	1.376	10	30		BDEEHN
CCCN1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C#N	ZINC000408339569	386129038	/nfs/dbraw/zinc/12/90/38/386129038.db2.gz	QKEOUMKFAJCTMK-FRRDWIJNSA-N	0	3	249.358	1.669	10	30		BDEEHN
C[C@@H]1C[C@](C#N)(NCc2ccccc2)CCN1	ZINC000575513100	387385271	/nfs/dbraw/zinc/38/52/71/387385271.db2.gz	ZHEMFRJBCDWJDG-TZMCWYRMSA-N	0	3	229.327	1.810	10	30		BDEEHN
CC(C)[C@H](C)NC(=O)[C@H](N)CCCC#N	ZINC000424071690	387476384	/nfs/dbraw/zinc/47/63/84/387476384.db2.gz	BUNGXMGEPFNYBR-VHSXEESVSA-N	0	3	211.309	1.168	10	30		BDEEHN
N#Cc1cnc(OC(F)(F)F)c(CN)c1	ZINC000238633921	387886261	/nfs/dbraw/zinc/88/62/61/387886261.db2.gz	VFFAAUYBGHXNJN-UHFFFAOYSA-N	0	3	217.150	1.311	10	30		BDEEHN
N#Cc1cnccc1N1CCN2CCC[C@@H]2C1	ZINC000364329630	132311795	/nfs/dbraw/zinc/31/17/95/132311795.db2.gz	WYWZIFYUXBEMEO-GFCCVEGCSA-N	0	3	228.299	1.238	10	30		BDEEHN
CCOC1CC(N[C@H]2CCC[C@H]2C#N)C1	ZINC000169197855	134249235	/nfs/dbraw/zinc/24/92/35/134249235.db2.gz	XKEKNPXIUOGCMH-XKGSQUFQSA-N	0	3	208.305	1.836	10	30		BDEEHN
CCC[C@@H](C(=O)N[C@H](CC)CC#N)N(C)C	ZINC000183901238	134357319	/nfs/dbraw/zinc/35/73/19/134357319.db2.gz	WBKVZRFTYDAWIJ-MNOVXSKESA-N	0	3	225.336	1.525	10	30		BDEEHN
C=CCN(CCOC)C[C@@H](O)COC(C)(C)C	ZINC000191084213	134568106	/nfs/dbraw/zinc/56/81/06/134568106.db2.gz	ZDPFNVZJMFXSSP-GFCCVEGCSA-N	0	3	245.363	1.297	10	30		BDEEHN
C[C@H]1OCC[C@@H]1NCc1cc(C#N)cs1	ZINC000134242187	134704339	/nfs/dbraw/zinc/70/43/39/134704339.db2.gz	GBZSLFHWTLGGQI-KCJUWKMLSA-N	0	3	222.313	1.887	10	30		BDEEHN
N#C[C@@H]1CCC[C@H]1NC[C@H]1CCCOC1	ZINC000250682712	135058268	/nfs/dbraw/zinc/05/82/68/135058268.db2.gz	ZFUWFLPBBJHIMI-GRYCIOLGSA-N	0	3	208.305	1.695	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1N[C@@H]1CCCC[C@H]1O	ZINC000251018687	135062213	/nfs/dbraw/zinc/06/22/13/135062213.db2.gz	DTJRSZAKDHUXQH-NNYUYHANSA-N	0	3	208.305	1.572	10	30		BDEEHN
C[C@@H]1CN2CCCC[C@H]2CN1CCC#N	ZINC000252660965	135094442	/nfs/dbraw/zinc/09/44/42/135094442.db2.gz	FODDZYWBQSPBRU-NEPJUHHUSA-N	0	3	207.321	1.459	10	30		BDEEHN
C=CCNC(=O)N[C@H](CC(C)C)CN(C)C	ZINC000079079241	135270808	/nfs/dbraw/zinc/27/08/08/135270808.db2.gz	UUWGDCQJCOGWRA-LLVKDONJSA-N	0	3	227.352	1.448	10	30		BDEEHN
C[C@H]1NC(=O)CC[C@H]1NCC#Cc1ccccc1	ZINC000282274017	135370723	/nfs/dbraw/zinc/37/07/23/135370723.db2.gz	HUCNJUVIDDMQRV-TZMCWYRMSA-N	0	3	242.322	1.295	10	30		BDEEHN
C#CCN(C)[C@H](C)Cc1cccc(O)c1	ZINC000013492362	166160778	/nfs/dbraw/zinc/16/07/78/166160778.db2.gz	RMJOYWZEWBHBGZ-LLVKDONJSA-N	0	3	203.285	1.888	10	30		BDEEHN
C#CCNC(=O)[C@H](C)Oc1ccccc1[C@H](C)N	ZINC000037697773	166184463	/nfs/dbraw/zinc/18/44/63/166184463.db2.gz	GPDAIYPNEUUSTF-QWRGUYRKSA-N	0	3	246.310	1.223	10	30		BDEEHN
C#CCNCCN1Cc2ccccc2C1	ZINC000053387699	166188217	/nfs/dbraw/zinc/18/82/17/166188217.db2.gz	WADQFOBMQUECEL-UHFFFAOYSA-N	0	3	200.285	1.225	10	30		BDEEHN
C#CCNC[C@H](C)n1nnc(-c2ccccc2)n1	ZINC000053500290	166188936	/nfs/dbraw/zinc/18/89/36/166188936.db2.gz	KXTRMIVLGPFWRC-NSHDSACASA-N	0	3	241.298	1.124	10	30		BDEEHN
C=CCN(Cc1ccc(OC)c(C)c1)C(=O)CN	ZINC000076633891	166345971	/nfs/dbraw/zinc/34/59/71/166345971.db2.gz	SYSZQIMISZPIND-UHFFFAOYSA-N	0	3	248.326	1.477	10	30		BDEEHN
C=CCNC(=O)[C@H](C)NCCc1cccc(C)c1	ZINC000051670013	166388729	/nfs/dbraw/zinc/38/87/29/166388729.db2.gz	AINGDVLYIXIODR-ZDUSSCGKSA-N	0	3	246.354	1.818	10	30		BDEEHN
CC(C)NCC(=O)Nc1ccc(C#N)cc1	ZINC000037386054	167096748	/nfs/dbraw/zinc/09/67/48/167096748.db2.gz	HJXSFDNBMSSIIW-UHFFFAOYSA-N	0	3	217.272	1.495	10	30		BDEEHN
CC(C)NCc1cc2c(cc1OCC#N)OCO2	ZINC000042874872	167117735	/nfs/dbraw/zinc/11/77/35/167117735.db2.gz	QCQIOXGFOHJWLP-UHFFFAOYSA-N	0	3	248.282	1.816	10	30		BDEEHN
CCNC1=CC2=NCCc3c[nH]c(c32)C1=O	ZINC000028895323	170108137	/nfs/dbraw/zinc/10/81/37/170108137.db2.gz	ZYQIRQQUURHXIV-UHFFFAOYSA-N	0	3	215.256	1.050	10	30		BDEEHN
CCOC(=O)C(C#N)Cc1cccs1	ZINC000039645163	170264022	/nfs/dbraw/zinc/26/40/22/170264022.db2.gz	ODDHPUZWAIDXGP-QMMMGPOBSA-N	0	3	209.270	1.993	10	30		BDEEHN
CN(C(=O)[C@@](C)(N)C1CC1)c1cccc(C#N)c1	ZINC000061980955	172330888	/nfs/dbraw/zinc/33/08/88/172330888.db2.gz	RKCOPVFQXNWQBW-AWEZNQCLSA-N	0	3	243.310	1.648	10	30		BDEEHN
CN(C)C(C)(C)CN[C@@H]1CCC[C@@H]1C#N	ZINC000054827498	172394497	/nfs/dbraw/zinc/39/44/97/172394497.db2.gz	YNCSEHVEBNSQBH-GHMZBOCLSA-N	0	3	209.337	1.608	10	30		BDEEHN
CN1CC[C@H](Nc2ccc(C#N)cc2N)C1	ZINC000042545052	173155344	/nfs/dbraw/zinc/15/53/44/173155344.db2.gz	JVROYZACVHFQME-JTQLQIEISA-N	0	3	216.288	1.256	10	30		BDEEHN
CNCC(=O)Nc1cc(Cl)ccc1C#N	ZINC000034979653	173332887	/nfs/dbraw/zinc/33/28/87/173332887.db2.gz	WBTOPVDWXXAVNH-UHFFFAOYSA-N	0	3	223.663	1.370	10	30		BDEEHN
COc1ccc(C#CCN)cc1CN(C)C1CC1	ZINC000049608886	175051344	/nfs/dbraw/zinc/05/13/44/175051344.db2.gz	RRGVIIRSEQDYOH-UHFFFAOYSA-N	0	3	244.338	1.600	10	30		BDEEHN
COc1ccc([C@@H](CN)N(CC#N)CC#N)cc1	ZINC000042960510	175178117	/nfs/dbraw/zinc/17/81/17/175178117.db2.gz	QWUBPJURNBOPKW-CYBMUJFWSA-N	0	3	244.298	1.044	10	30		BDEEHN
COc1cccc([C@H](CN)N(C)CCC#N)c1	ZINC000043026028	175294455	/nfs/dbraw/zinc/29/44/55/175294455.db2.gz	YPWTWNJAJYDNRW-ZDUSSCGKSA-N	0	3	233.315	1.540	10	30		BDEEHN
C[C@H]1C[C@H]1C(=O)Nc1ncc(C#CCN)s1	ZINC000037471176	177376784	/nfs/dbraw/zinc/37/67/84/177376784.db2.gz	IGUDQPRHTPKZTD-IONNQARKSA-N	0	3	235.312	1.048	10	30		BDEEHN
C=C1CCN(C(=O)[C@H](N)[C@@H](C)CC)CC1	ZINC000382550814	487546444	/nfs/dbraw/zinc/54/64/44/487546444.db2.gz	UMOVNQYYBXLQKV-WDEREUQCSA-N	0	3	210.321	1.538	10	30		BDEEHN
CCC#C[C@@H](C)N[C@@H]1CCC(=O)NC1(C)C	ZINC000390615798	488169690	/nfs/dbraw/zinc/16/96/90/488169690.db2.gz	GVAIMHPOTIWBTI-GHMZBOCLSA-N	0	3	222.332	1.435	10	30		BDEEHN
C=CCCCC(=O)N1CCO[C@@H](CN(C)C)C1	ZINC000175695345	534650746	/nfs/dbraw/zinc/65/07/46/534650746.db2.gz	SAKZWOJNKBAKBB-LBPRGKRZSA-N	0	3	240.347	1.132	10	30		BDEEHN
C=CCOCCCC(=O)N1CC[C@@H](N(C)C)C1	ZINC000173763387	534872414	/nfs/dbraw/zinc/87/24/14/534872414.db2.gz	IIUMEDNPPGVLMT-GFCCVEGCSA-N	0	3	240.347	1.132	10	30		BDEEHN
CC(C)(C#N)N1CCN(C2CCCC2)CC1	ZINC000070995907	534999871	/nfs/dbraw/zinc/99/98/71/534999871.db2.gz	QEWHHCLJVWMKPU-UHFFFAOYSA-N	0	3	221.348	1.849	10	30		BDEEHN
CCN1CCC[C@H]1CN(C)C(=O)[C@H](C)C#N	ZINC000252582397	535588701	/nfs/dbraw/zinc/58/87/01/535588701.db2.gz	VFGYXVZVGGHJMC-MNOVXSKESA-N	0	3	223.320	1.089	10	30		BDEEHN
CCN1CCC[C@@H](Nc2cc(C#N)nc(C)n2)C1	ZINC000308322118	631291490	/nfs/dbraw/zinc/29/14/90/631291490.db2.gz	BZEJULWNGYKSTH-LLVKDONJSA-N	0	3	245.330	1.553	10	30		BDEEHN
C#CCCCCNC(=O)[C@H](CCC)N(C)C	ZINC000154225583	641984614	/nfs/dbraw/zinc/98/46/14/641984614.db2.gz	WGVCPTLBONZEJE-LBPRGKRZSA-N	0	3	224.348	1.636	10	30		BDEEHN
C#CCCNCc1ccc(OC)cc1OC	ZINC000070533382	643036405	/nfs/dbraw/zinc/03/64/05/643036405.db2.gz	DRHQGWXQCXPTPG-UHFFFAOYSA-N	0	3	219.284	1.817	10	30		BDEEHN
C[C@H]1OCC[C@H]1NCc1cncc(C#N)c1	ZINC000721623692	711671720	/nfs/dbraw/zinc/67/17/20/711671720.db2.gz	PTYNCGXASMATQJ-BXKDBHETSA-N	0	3	217.272	1.220	10	30		BDEEHN
C#CCNC(=O)[C@@H](C)N[C@@H](C)c1cccs1	ZINC000035206927	712285651	/nfs/dbraw/zinc/28/56/51/712285651.db2.gz	HMBAIKSSDXZAQZ-VHSXEESVSA-N	0	3	236.340	1.537	10	30		BDEEHN
CSC[C@@H](N)C#CC(=O)OC(C)(C)C	ZINC000685953448	538898238	/nfs/dbraw/zinc/89/82/38/538898238.db2.gz	MMDNQLNNSMUERN-QMMMGPOBSA-N	0	3	215.318	1.022	10	30		BDEEHN
C[C@H]1CNCCN1c1ccc(C#N)c(F)c1	ZINC000211935305	132450702	/nfs/dbraw/zinc/45/07/02/132450702.db2.gz	BSFWIZOVFXOYTG-VIFPVBQESA-N	0	3	219.263	1.495	10	30		BDEEHN
Cc1cc(F)ccc1[C@H](C#N)NCCN(C)C	ZINC000050579546	178092315	/nfs/dbraw/zinc/09/23/15/178092315.db2.gz	LTWGBGMPBFDJSE-ZDUSSCGKSA-N	0	3	235.306	1.850	10	30		BDEEHN
Cc1cc(NC(=O)NC2CC2)ccc1C#CCN	ZINC000054457896	178138285	/nfs/dbraw/zinc/13/82/85/178138285.db2.gz	VQNAQUPZZDFYHI-UHFFFAOYSA-N	0	3	243.310	1.589	10	30		BDEEHN
Cc1cc([C@@H](C#N)NCCN(C)C)cc(C)c1O	ZINC000037940820	178221107	/nfs/dbraw/zinc/22/11/07/178221107.db2.gz	VNHJYEMYEBGFIG-CYBMUJFWSA-N	0	3	247.342	1.725	10	30		BDEEHN
CCN1CCC[C@H]1CN(C)c1ncccc1C#N	ZINC000092631296	398235724	/nfs/dbraw/zinc/23/57/24/398235724.db2.gz	ODLGTCLQSQTRLI-ZDUSSCGKSA-N	0	3	244.342	1.874	10	30		BDEEHN
C=CCOCCNCc1cnn(C)c1C	ZINC000380033619	538984283	/nfs/dbraw/zinc/98/42/83/538984283.db2.gz	RCROFQKCIVXSMU-UHFFFAOYSA-N	0	3	209.293	1.021	10	30		BDEEHN
C[C@H]1CN(C)CCN1C/C=C/CS	ZINC000235594806	344009680	/nfs/dbraw/zinc/00/96/80/344009680.db2.gz	YWMPVXWYJQLSOR-FSIBCCDJSA-N	0	3	200.351	1.108	10	30		BDEEHN
C#CCOc1c(CNCCO)cccc1OCC	ZINC000045945545	187232975	/nfs/dbraw/zinc/23/29/75/187232975.db2.gz	PIJLHCUJDCSCAZ-UHFFFAOYSA-N	0	3	249.310	1.179	10	30		BDEEHN
CC(C#N)S(=O)(=O)c1ccc(F)cc1	ZINC000043522910	343124879	/nfs/dbraw/zinc/12/48/79/343124879.db2.gz	ZJBXCANGFSJSTM-SSDOTTSWSA-N	0	3	213.233	1.511	10	30		BDEEHN
N#CCOc1ccc(Br)cc1CN	ZINC000037700838	187260414	/nfs/dbraw/zinc/26/04/14/187260414.db2.gz	JWYMXAYRRRGUIN-UHFFFAOYSA-N	0	3	241.088	1.810	10	30		BDEEHN
N#CCCN(CCC#N)C(=O)C1(N)CCCCC1	ZINC000037825529	187260775	/nfs/dbraw/zinc/26/07/75/187260775.db2.gz	LIUPDYBFCWXCGR-UHFFFAOYSA-N	0	3	248.330	1.304	10	30		BDEEHN
NCc1cncc(C#Cc2ccccc2)c1	ZINC000116295403	343786083	/nfs/dbraw/zinc/78/60/83/343786083.db2.gz	WYLZHZHOTNNMMF-UHFFFAOYSA-N	0	3	208.264	1.940	10	30		BDEEHN
CC(C)N(CCO)Cc1ccccc1C#CCO	ZINC000042480689	187354889	/nfs/dbraw/zinc/35/48/89/187354889.db2.gz	YYIZAPNTUQIIMR-UHFFFAOYSA-N	0	3	247.338	1.233	10	30		BDEEHN
CSCC(=NN)NC1CCCCCC1	ZINC000070005340	343946290	/nfs/dbraw/zinc/94/62/90/343946290.db2.gz	DQPXOFDZDGARPV-UHFFFAOYSA-N	0	3	215.366	1.934	10	30		BDEEHN
COc1ccc(Cn2ccnc2)cc1C#CCN	ZINC000049610072	187357819	/nfs/dbraw/zinc/35/78/19/187357819.db2.gz	UQSKMAIOEDGQJX-UHFFFAOYSA-N	0	3	241.294	1.250	10	30		BDEEHN
N#CCCCN1CCC[C@@H](Cn2cncn2)C1	ZINC000105883536	344471149	/nfs/dbraw/zinc/47/11/49/344471149.db2.gz	BUFMNEVSGMDQTQ-GFCCVEGCSA-N	0	3	233.319	1.294	10	30		BDEEHN
C=CCOCCN1C[C@H]2CCCCN2C[C@H]1C	ZINC000310214800	344709923	/nfs/dbraw/zinc/70/99/23/344709923.db2.gz	HORBLJWLGCQLCD-ZIAGYGMSSA-N	0	3	238.375	1.748	10	30		BDEEHN
CCCCCCCCC#C[C@@H](O)[C@@H](N)CO	ZINC000049881743	187294075	/nfs/dbraw/zinc/29/40/75/187294075.db2.gz	PSZFDJIBPJBVSH-QWHCGFSZSA-N	0	3	227.348	1.421	10	30		BDEEHN
CC[C@](C)(C#N)C(=O)N1CC[C@H](N(C)C)C1	ZINC000136246876	345492658	/nfs/dbraw/zinc/49/26/58/345492658.db2.gz	BWGKNNVMDAQRKT-CMPLNLGQSA-N	0	3	223.320	1.089	10	30		BDEEHN
Cn1cncc1CCN[C@H]1CCCC[C@H]1C#N	ZINC000401789052	347878351	/nfs/dbraw/zinc/87/83/51/347878351.db2.gz	VLWQHLQIIPPEBV-AAEUAGOBSA-N	0	3	232.331	1.635	10	30		BDEEHN
Cn1cncc1CCN[C@@H]1CCCC[C@@H]1C#N	ZINC000401789055	347878672	/nfs/dbraw/zinc/87/86/72/347878672.db2.gz	VLWQHLQIIPPEBV-DGCLKSJQSA-N	0	3	232.331	1.635	10	30		BDEEHN
Cn1cncc1CCN[C@@H]1CCCC[C@H]1C#N	ZINC000401789057	347878721	/nfs/dbraw/zinc/87/87/21/347878721.db2.gz	VLWQHLQIIPPEBV-WCQYABFASA-N	0	3	232.331	1.635	10	30		BDEEHN
C=CCCSCCNC(=O)[C@@H](C)NC	ZINC000595255682	348203964	/nfs/dbraw/zinc/20/39/64/348203964.db2.gz	IRSCTOHCDDFOIK-SECBINFHSA-N	0	3	216.350	1.020	10	30		BDEEHN
C=CCC[C@@H](CO)NCc1cnn(C)c1C	ZINC000320302893	350734117	/nfs/dbraw/zinc/73/41/17/350734117.db2.gz	SJJRVMZWEFAORI-LBPRGKRZSA-N	0	3	223.320	1.145	10	30		BDEEHN
N#Cc1ccccc1[C@@H]1CCCN(CCO)C1	ZINC000616621330	351027305	/nfs/dbraw/zinc/02/73/05/351027305.db2.gz	RCHUZDAKNHINAL-CYBMUJFWSA-N	0	3	230.311	1.730	10	30		BDEEHN
CC(C)N1CCN[C@H](c2cccc(C#N)c2)C1	ZINC000616632791	351113794	/nfs/dbraw/zinc/11/37/94/351113794.db2.gz	PUHSCTVODDZJLX-AWEZNQCLSA-N	0	3	229.327	1.913	10	30		BDEEHN
C#C[C@@H](C)Nc1cc(N)ncc1Br	ZINC000306838752	351149412	/nfs/dbraw/zinc/14/94/12/351149412.db2.gz	XQPBJKDZNQUKRS-ZCFIWIBFSA-N	0	3	240.104	1.860	10	30		BDEEHN
C=CCN(Cc1ccccc1OC)C(=O)CN	ZINC000032089746	166345502	/nfs/dbraw/zinc/34/55/02/166345502.db2.gz	JFTLQZSLHFZMFS-UHFFFAOYSA-N	0	3	234.299	1.169	10	30		BDEEHN
CN1CCC[C@@H]1CN[C@@H]1CCCC[C@H]1C#N	ZINC000300367567	352560711	/nfs/dbraw/zinc/56/07/11/352560711.db2.gz	LSRRPEYCRYDHNU-YNEHKIRRSA-N	0	3	221.348	1.753	10	30		BDEEHN
COc1ccc(C(N)=NN)c(Br)c1	ZINC000307539024	352643358	/nfs/dbraw/zinc/64/33/58/352643358.db2.gz	SVTSPLNOYXSACS-UHFFFAOYSA-N	0	3	244.092	1.037	10	30		BDEEHN
C#CCCN1CCc2c(N)cccc2C1	ZINC000038032829	188007518	/nfs/dbraw/zinc/00/75/18/188007518.db2.gz	WFVWFADIVLCHCZ-UHFFFAOYSA-N	0	3	200.285	1.650	10	30		BDEEHN
C=CCNC[C@@H](O)c1ccc(OC)c(F)c1	ZINC000049820004	188045585	/nfs/dbraw/zinc/04/55/85/188045585.db2.gz	PTMJIHOYWNDXNI-LLVKDONJSA-N	0	3	225.263	1.643	10	30		BDEEHN
COC(=O)[C@H]1CCN(CCCC#N)C[C@@H]1C	ZINC000191794534	353511076	/nfs/dbraw/zinc/51/10/76/353511076.db2.gz	XNNQRSXEXIWGIG-QWRGUYRKSA-N	0	3	224.304	1.421	10	30		BDEEHN
N#CC1(c2ccc3c(c2)OCO3)CCNCC1	ZINC000071534609	181031712	/nfs/dbraw/zinc/03/17/12/181031712.db2.gz	SUPUNTGJOXXQHK-UHFFFAOYSA-N	0	3	230.267	1.560	10	30		BDEEHN
CC1(CN[C@H]2CCCC[C@@H]2C#N)COC1	ZINC000087197468	353944605	/nfs/dbraw/zinc/94/46/05/353944605.db2.gz	UIBWTONDMVJYSU-MNOVXSKESA-N	0	3	208.305	1.695	10	30		BDEEHN
N#CCn1nc(C(F)(F)F)c2c1CCNC2	ZINC000082810400	181051754	/nfs/dbraw/zinc/05/17/54/181051754.db2.gz	WFPZJLQUSODZBO-UHFFFAOYSA-N	0	3	230.193	1.071	10	30		BDEEHN
N#Cc1cc(CN)cc(C(F)(F)F)n1	ZINC000095766968	181084940	/nfs/dbraw/zinc/08/49/40/181084940.db2.gz	PUABSQVWOFECGK-UHFFFAOYSA-N	0	3	201.151	1.431	10	30		BDEEHN
N#Cc1ccc(CN[C@H]2CCC[C@H]2O)cc1	ZINC000037749118	181110283	/nfs/dbraw/zinc/11/02/83/181110283.db2.gz	OEGVPLXXTHRJJZ-QWHCGFSZSA-N	0	3	216.284	1.561	10	30		BDEEHN
N#Cc1ccc(CNC(=O)[C@@H]2CCCCN2)cc1	ZINC000037748525	181107015	/nfs/dbraw/zinc/10/70/15/181107015.db2.gz	SIXRUYVQASMDGE-ZDUSSCGKSA-N	0	3	243.310	1.317	10	30		BDEEHN
N#Cc1ccc(F)c(CNC[C@H]2CCOC2)c1	ZINC000038094098	181113083	/nfs/dbraw/zinc/11/30/83/181113083.db2.gz	AGNYRQOJVRKZAE-LLVKDONJSA-N	0	3	234.274	1.823	10	30		BDEEHN
CN(C1=CC(=O)CC1)[C@H]1CCCN(C)C1	ZINC000160235209	355355820	/nfs/dbraw/zinc/35/58/20/355355820.db2.gz	KHPPPXVVBIWJRA-NSHDSACASA-N	0	3	208.305	1.259	10	30		BDEEHN
C=C(Br)CNc1ccc(N)c(N)n1	ZINC000168192958	356557567	/nfs/dbraw/zinc/55/75/67/356557567.db2.gz	OPIUJBBRJBZANC-UHFFFAOYSA-N	0	3	243.108	1.567	10	30		BDEEHN
CCN1CCC[C@H]1CN(C)c1ncncc1C#N	ZINC000385046711	356875928	/nfs/dbraw/zinc/87/59/28/356875928.db2.gz	BOFYDBZPBOUCIL-LBPRGKRZSA-N	0	3	245.330	1.269	10	30		BDEEHN
CCN1CC[C@@H](NC(=O)[C@@](C)(C#N)CC)C1	ZINC000389666328	357013274	/nfs/dbraw/zinc/01/32/74/357013274.db2.gz	DDFKWNQWRVMZNB-ZYHUDNBSSA-N	0	3	223.320	1.137	10	30		BDEEHN
OCC[C@@H]1CCN(CC#Cc2ccccc2)C1	ZINC000124303872	358516217	/nfs/dbraw/zinc/51/62/17/358516217.db2.gz	ONUWNBISOXYARA-HNNXBMFYSA-N	0	3	229.323	1.742	10	30		BDEEHN
COC(C)(C)CN1CCC(=NO)CC1	ZINC000306191304	359015045	/nfs/dbraw/zinc/01/50/45/359015045.db2.gz	GEUAQQQYNHVKNI-UHFFFAOYSA-N	0	3	200.282	1.337	10	30		BDEEHN
C#CCOc1cccc(CNCCCO)c1	ZINC000045946060	359745479	/nfs/dbraw/zinc/74/54/79/359745479.db2.gz	HWOOBBQYPXPYQE-UHFFFAOYSA-N	0	3	219.284	1.171	10	30		BDEEHN
C#CCOc1ccc(CNCCCO)cc1OC	ZINC000045946049	359746256	/nfs/dbraw/zinc/74/62/56/359746256.db2.gz	BQJDOPBFQXTUSS-UHFFFAOYSA-N	0	3	249.310	1.179	10	30		BDEEHN
C[C@H](CS)CN1CCO[C@H](C)[C@H]1C	ZINC000306557210	360430046	/nfs/dbraw/zinc/43/00/46/360430046.db2.gz	NOTASFJJNYPKQC-IVZWLZJFSA-N	0	3	203.351	1.662	10	30		BDEEHN
NCC#Cc1ccc(CN2CCCCC2=O)cc1	ZINC000049587710	181346701	/nfs/dbraw/zinc/34/67/01/181346701.db2.gz	XMHDAZWUDVCTON-UHFFFAOYSA-N	0	3	242.322	1.509	10	30		BDEEHN
NCC#Cc1ccccc1NC(=O)C1CC1	ZINC000037471182	181348106	/nfs/dbraw/zinc/34/81/06/181348106.db2.gz	HQXDYPPWRGDMAG-UHFFFAOYSA-N	0	3	214.268	1.345	10	30		BDEEHN
CC[C@H](C#N)C(=O)N(C)C[C@@H]1CCCN1CC	ZINC000092630817	371106913	/nfs/dbraw/zinc/10/69/13/371106913.db2.gz	KKYYAEPBHLMVDI-NEPJUHHUSA-N	0	3	237.347	1.479	10	30		BDEEHN
CC[C@@H](C#N)C(=O)N(C)C[C@H]1CCCN1CC	ZINC000092630819	371107073	/nfs/dbraw/zinc/10/70/73/371107073.db2.gz	KKYYAEPBHLMVDI-NWDGAFQWSA-N	0	3	237.347	1.479	10	30		BDEEHN
C#CCN1CCCC[C@@H]1[C@H]1CCCC1=O	ZINC000227379240	371849460	/nfs/dbraw/zinc/84/94/60/371849460.db2.gz	ZWXQWOWVAFFHHG-VXGBXAGGSA-N	0	3	205.301	1.843	10	30		BDEEHN
C#C[C@H](NC)[C@H]1SCCS[C@H]1CC	ZINC000228292131	372013925	/nfs/dbraw/zinc/01/39/25/372013925.db2.gz	JKFJOIQHSZWWNP-LPEHRKFASA-N	0	3	215.387	1.835	10	30		BDEEHN
[O-]c1cccc2c1[C@@H](CCS)[NH2+]CC2	ZINC000083660589	183296774	/nfs/dbraw/zinc/29/67/74/183296774.db2.gz	CVUFOYZLQHIYAD-SECBINFHSA-N	0	3	209.314	1.899	10	30		BDEEHN
C[C@H]1NC(=O)CC[C@@H]1NCc1cc(C#N)cs1	ZINC000336172983	383983547	/nfs/dbraw/zinc/98/35/47/383983547.db2.gz	LSOGPPLVWQLWSK-KCJUWKMLSA-N	0	3	249.339	1.376	10	30		BDEEHN
CC/N=C1/SC(CC)C(=O)N1CC	ZINC000039100604	384104146	/nfs/dbraw/zinc/10/41/46/384104146.db2.gz	DHBXMOQXBKOXJT-KOUNZKNHSA-N	0	3	200.307	1.736	10	30		BDEEHN
CC(C)CCN1CCCC[C@H]1/C(N)=N/O	ZINC000079812357	384153594	/nfs/dbraw/zinc/15/35/94/384153594.db2.gz	CZKNBHQBSQEAHA-JTQLQIEISA-N	0	3	213.325	1.633	10	30		BDEEHN
CNc1cc(Nc2cnc(C#N)cn2)ncc1N	ZINC000098178640	384496612	/nfs/dbraw/zinc/49/66/12/384496612.db2.gz	BCOAZQZWGJZXQC-UHFFFAOYSA-N	0	3	241.258	1.111	10	30		BDEEHN
CN1CCC(N[C@H]2CCCC[C@H]2C#N)CC1	ZINC000054824968	384819114	/nfs/dbraw/zinc/81/91/14/384819114.db2.gz	QMWPNMARDJEGSZ-AAEUAGOBSA-N	0	3	221.348	1.753	10	30		BDEEHN
CCC(C#N)(CC)C(=O)N1CCN2CCC[C@@H]2C1	ZINC000094460762	384977395	/nfs/dbraw/zinc/97/73/95/384977395.db2.gz	NFGRZLYDZJYIPL-GFCCVEGCSA-N	0	3	249.358	1.623	10	30		BDEEHN
CN(C)[C@@H]1CCN(C(=O)NCCCCC#N)C1	ZINC000171448496	385487500	/nfs/dbraw/zinc/48/75/00/385487500.db2.gz	WPPFGVNGTHZUGA-LLVKDONJSA-N	0	3	238.335	1.026	10	30		BDEEHN
C#CCN1CCC[C@@H](Cn2nc(C)nc2C)C1	ZINC000105884899	533151950	/nfs/dbraw/zinc/15/19/50/533151950.db2.gz	OIQJISUJLBVSKP-CYBMUJFWSA-N	0	3	232.331	1.240	10	30		BDEEHN
CC#CCCN1C[C@H]2CCCCN2C[C@@H]1C	ZINC000164989242	386445129	/nfs/dbraw/zinc/44/51/29/386445129.db2.gz	ZVSXWNXWOFGEHB-UONOGXRCSA-N	0	3	220.360	1.958	10	30		BDEEHN
C[C@H]1CN(c2ccc(C#N)c(F)c2)CCN1	ZINC000211935642	387010953	/nfs/dbraw/zinc/01/09/53/387010953.db2.gz	VLDAWSDJWYAPBR-VIFPVBQESA-N	0	3	219.263	1.495	10	30		BDEEHN
Cc1cc(N2CCN3CCC[C@@H]3C2)c(C#N)cn1	ZINC000399486159	387709370	/nfs/dbraw/zinc/70/93/70/387709370.db2.gz	YZTBKZZXSJWAND-CYBMUJFWSA-N	0	3	242.326	1.546	10	30		BDEEHN
C[C@@H]1NC(=O)CC[C@H]1NCc1ccc(C#N)cc1	ZINC000281513896	388804020	/nfs/dbraw/zinc/80/40/20/388804020.db2.gz	AGFWVXXVURVFDB-GXFFZTMASA-N	0	3	243.310	1.315	10	30		BDEEHN
CCC(C#N)C(=O)N1CCCC[C@H]1C(=O)OC	ZINC000156892454	388824556	/nfs/dbraw/zinc/82/45/56/388824556.db2.gz	QEZVFENMFWYXPT-ZJUUUORDSA-N	0	3	238.287	1.090	10	30		BDEEHN
N#CCCCCN1CCN2CCCC[C@@H]2C1	ZINC000226201227	134361495	/nfs/dbraw/zinc/36/14/95/134361495.db2.gz	VNPIXUOGFFXXFU-CYBMUJFWSA-N	0	3	221.348	1.850	10	30		BDEEHN
N#Cc1ccc(CN2CC[C@@H](CCO)C2)cc1	ZINC000227569375	134383571	/nfs/dbraw/zinc/38/35/71/134383571.db2.gz	USCDKRIHQBTYJW-AWEZNQCLSA-N	0	3	230.311	1.763	10	30		BDEEHN
CC#CCN1C[C@@H]2CCCCN2C[C@H]1C	ZINC000252895658	135115962	/nfs/dbraw/zinc/11/59/62/135115962.db2.gz	ZEHCVNWQURHHJP-OLZOCXBDSA-N	0	3	206.333	1.568	10	30		BDEEHN
CC(C)CCN1CCCC[C@@H]1/C(N)=N/O	ZINC000079812355	135397284	/nfs/dbraw/zinc/39/72/84/135397284.db2.gz	CZKNBHQBSQEAHA-SNVBAGLBSA-N	0	3	213.325	1.633	10	30		BDEEHN
CC[C@H](C(=O)N[C@@H]1CCC[C@@H]1C#N)N(C)C	ZINC000407988024	397801791	/nfs/dbraw/zinc/80/17/91/397801791.db2.gz	BNYNITOWXIHFJT-GMTAPVOTSA-N	0	3	223.320	1.135	10	30		BDEEHN
C#CCOc1cc2c(cc1CNCCC)OCO2	ZINC000042874721	166197760	/nfs/dbraw/zinc/19/77/60/166197760.db2.gz	QXHHQSNICYRFNI-UHFFFAOYSA-N	0	3	247.294	1.927	10	30		BDEEHN
CC(C)NC(=O)c1ccccc1C#CCN	ZINC000037473209	167089851	/nfs/dbraw/zinc/08/98/51/167089851.db2.gz	TXIIRWQOTCGVOL-UHFFFAOYSA-N	0	3	216.284	1.135	10	30		BDEEHN
CC(C)OCCOCc1ccccc1C#CCN	ZINC000049610774	167248985	/nfs/dbraw/zinc/24/89/85/167248985.db2.gz	QCOPFOKZRLHLFV-UHFFFAOYSA-N	0	3	247.338	1.938	10	30		BDEEHN
CCNC(=O)Nc1ccc(C#CCN)cc1	ZINC000037471293	170084412	/nfs/dbraw/zinc/08/44/12/170084412.db2.gz	XWBKHZQMPRTOTM-UHFFFAOYSA-N	0	3	217.272	1.138	10	30		BDEEHN
C=CC[C@@H]1CCCN(C(=O)[C@H](N)CCC)C1	ZINC000662634706	412251210	/nfs/dbraw/zinc/25/12/10/412251210.db2.gz	IFZMOCKZIYIAOQ-VXGBXAGGSA-N	0	3	224.348	1.929	10	30		BDEEHN
C=CCCC(=O)N(C)[C@@H](CN)C(F)(F)F	ZINC000662983000	412363325	/nfs/dbraw/zinc/36/33/25/412363325.db2.gz	HGUKSGDPJQCQKM-ZETCQYMHSA-N	0	3	224.226	1.301	10	30		BDEEHN
COC1CCN(CC[C@H](C#N)NC2CC2)CC1	ZINC000062434649	174027595	/nfs/dbraw/zinc/02/75/95/174027595.db2.gz	DBJLYSIMVBIQIQ-GFCCVEGCSA-N	0	3	237.347	1.131	10	30		BDEEHN
COCCCNCc1cc(C#N)ccc1F	ZINC000036923993	174247551	/nfs/dbraw/zinc/24/75/51/174247551.db2.gz	ULGMEQIKGSPOMF-UHFFFAOYSA-N	0	3	222.263	1.823	10	30		BDEEHN
COCCOCc1cc(C#CCN)ccc1OC	ZINC000049610713	174364766	/nfs/dbraw/zinc/36/47/66/174364766.db2.gz	FDGBSWIKOLFKKZ-UHFFFAOYSA-N	0	3	249.310	1.168	10	30		BDEEHN
COc1cccc(C2(C#N)CCNCC2)c1	ZINC000071519677	175248271	/nfs/dbraw/zinc/24/82/71/175248271.db2.gz	FVFBOUOVXMIUQX-UHFFFAOYSA-N	0	3	216.284	1.840	10	30		BDEEHN
COc1ccccc1[C@@H](CN)N(C)CCC#N	ZINC000043096984	175345679	/nfs/dbraw/zinc/34/56/79/175345679.db2.gz	UILDWROXBFQFQR-GFCCVEGCSA-N	0	3	233.315	1.540	10	30		BDEEHN
C[C@@H](S)[C@H]1NCCc2c(O)cccc21	ZINC000083703577	176007148	/nfs/dbraw/zinc/00/71/48/176007148.db2.gz	ZOIURIRUHOYREX-RDDDGLTNSA-N	0	3	209.314	1.897	10	30		BDEEHN
C[C@@H](c1cccc(C#CCN)c1)N1CCCC1=O	ZINC000049587786	176016815	/nfs/dbraw/zinc/01/68/15/176016815.db2.gz	MZROVDPOTZMECQ-LBPRGKRZSA-N	0	3	242.322	1.680	10	30		BDEEHN
C[C@H](S)[C@H]1[NH2+]CCc2cccc([O-])c21	ZINC000083660560	177025838	/nfs/dbraw/zinc/02/58/38/177025838.db2.gz	FPASJYBOJPXPLI-WRWORJQWSA-N	0	3	209.314	1.897	10	30		BDEEHN
C[C@H]1COCCN1Cc1cccc(C#CCN)c1	ZINC000049609140	177292529	/nfs/dbraw/zinc/29/25/29/177292529.db2.gz	DDIQSRSANDJREL-ZDUSSCGKSA-N	0	3	244.338	1.218	10	30		BDEEHN
C[C@@H](CC#N)N1CCN2CCCC[C@@H]2C1	ZINC000113710368	323191453	/nfs/dbraw/zinc/19/14/53/323191453.db2.gz	IBUWPXMBPBVNLK-NWDGAFQWSA-N	0	3	207.321	1.459	10	30		BDEEHN
N#Cc1ccc(CN[C@@H]2CCC[C@H](O)C2)o1	ZINC000135482856	487973792	/nfs/dbraw/zinc/97/37/92/487973792.db2.gz	CNUOQVHPAWXTFM-ZJUUUORDSA-N	0	3	220.272	1.544	10	30		BDEEHN
CC(C)(CCC#N)CN1CCC[C@H]1C(N)=O	ZINC000179584722	534996010	/nfs/dbraw/zinc/99/60/10/534996010.db2.gz	MGPFKDOYZSUOCA-JTQLQIEISA-N	0	3	223.320	1.266	10	30		BDEEHN
CN1CCC(C(=O)N[C@H]2CCC[C@@H]2C#N)CC1	ZINC000259958472	536334685	/nfs/dbraw/zinc/33/46/85/536334685.db2.gz	SGGNGOWRTXDNHF-NEPJUHHUSA-N	0	3	235.331	1.137	10	30		BDEEHN
CCCN(C)Cc1cc(C#CCO)cs1	ZINC000043698566	582806474	/nfs/dbraw/zinc/80/64/74/582806474.db2.gz	JBMGIMKFWOZKSL-UHFFFAOYSA-N	0	3	223.341	1.934	10	30		BDEEHN
COC1CC(NCc2ccc(C#N)o2)C1	ZINC000230690723	641089721	/nfs/dbraw/zinc/08/97/21/641089721.db2.gz	FLGGNYINTDMUGI-UHFFFAOYSA-N	0	3	206.245	1.418	10	30		BDEEHN
C#CCCNCc1cnc(C(C)(C)C)nc1	ZINC000304390280	644901212	/nfs/dbraw/zinc/90/12/12/644901212.db2.gz	YLMDAXGLVSEECU-UHFFFAOYSA-N	0	3	217.316	1.887	10	30		BDEEHN
CCC#C[C@H](C)N[C@H]1CCC(=O)N[C@H]1C	ZINC000380171764	538986938	/nfs/dbraw/zinc/98/69/38/538986938.db2.gz	DRECSUCGMJEFFN-DCAQKATOSA-N	0	3	208.305	1.045	10	30		BDEEHN
CNC(=NN)c1ccc(Br)cc1	ZINC000042035337	361927421	/nfs/dbraw/zinc/92/74/21/361927421.db2.gz	KSVQMQPBDONXCW-UHFFFAOYSA-N	0	3	228.093	1.289	10	30		BDEEHN
C#CCOc1cccc(CNC2CC2)c1	ZINC000037704209	187229923	/nfs/dbraw/zinc/22/99/23/187229923.db2.gz	RSOPGVPGKLYDCT-UHFFFAOYSA-N	0	3	201.269	1.951	10	30		BDEEHN
CC(C#N)S(=O)(=O)c1cccs1	ZINC000043522828	343125672	/nfs/dbraw/zinc/12/56/72/343125672.db2.gz	XGJWVGAXAHDUKA-LURJTMIESA-N	0	3	201.272	1.434	10	30		BDEEHN
CC(=O)Nc1ccc(C#CCN)cc1C	ZINC000037471239	187252140	/nfs/dbraw/zinc/25/21/40/187252140.db2.gz	VYYAGBIJCRXAHT-UHFFFAOYSA-N	0	3	202.257	1.264	10	30		BDEEHN
C/C(=N\[O-])c1ccccc1OCC[NH+](C)C	ZINC000019511976	187252580	/nfs/dbraw/zinc/25/25/80/187252580.db2.gz	PWHGZWLNCVMPLI-JLHYYAGUSA-N	0	3	222.288	1.825	10	30		BDEEHN
CC(C)C[C@@H](N)C(=O)NCc1ccc(C#N)cc1	ZINC000037748540	187259807	/nfs/dbraw/zinc/25/98/07/187259807.db2.gz	BCPCWNOSXZKALZ-CYBMUJFWSA-N	0	3	245.326	1.548	10	30		BDEEHN
CC(C)[C@@H](C(=O)N[C@H]1CCC[C@@H]1C#N)N(C)C	ZINC000408368411	133477173	/nfs/dbraw/zinc/47/71/73/133477173.db2.gz	HVHUOKFVPWXTRP-WOPDTQHZSA-N	0	3	237.347	1.381	10	30		BDEEHN
N#C[C@H]1CCC[C@H]1NCC1(O)CCCC1	ZINC000083466257	343486866	/nfs/dbraw/zinc/48/68/66/343486866.db2.gz	QFSQPUGJNZJSHW-GHMZBOCLSA-N	0	3	208.305	1.573	10	30		BDEEHN
C#C[C@@]1(O)CCN(Cc2ccccc2)C1	ZINC000307485105	343936712	/nfs/dbraw/zinc/93/67/12/343936712.db2.gz	BONFYSFFGKUMLT-CYBMUJFWSA-N	0	3	201.269	1.257	10	30		BDEEHN
C=C([C@H](N)[C@H]1OCC[C@@H]1C)C(F)(F)F	ZINC000307759507	343959642	/nfs/dbraw/zinc/95/96/42/343959642.db2.gz	RXDPDZGADJTTDC-GEVIPFJHSA-N	0	3	209.211	1.857	10	30		BDEEHN
N#Cc1nc(C2CCC2)oc1N1CCNCC1	ZINC000616574865	344189536	/nfs/dbraw/zinc/18/95/36/344189536.db2.gz	ZGWPLHTYKWWTNU-UHFFFAOYSA-N	0	3	232.287	1.223	10	30		BDEEHN
Cc1ccc([C@H](C)NC(=O)C(C)C#N)o1	ZINC000044825358	344551057	/nfs/dbraw/zinc/55/10/57/344551057.db2.gz	TYRFXWGGBXJFJW-APPZFPTMSA-N	0	3	206.245	1.925	10	30		BDEEHN
CC#CCN1CC[C@]2(O)CCCC[C@H]2C1	ZINC000247882114	344695616	/nfs/dbraw/zinc/69/56/16/344695616.db2.gz	BWEQNSLDTHGKRV-QWHCGFSZSA-N	0	3	207.317	1.637	10	30		BDEEHN
CNC(=N)Nc1cc(F)c(F)cc1F	ZINC000061095310	344847391	/nfs/dbraw/zinc/84/73/91/344847391.db2.gz	GQUQXIRDKGVKLJ-UHFFFAOYSA-N	0	3	203.167	1.270	10	30		BDEEHN
CC#CCCN1CCC[C@@H](c2nncn2CC)C1	ZINC000155341596	187297014	/nfs/dbraw/zinc/29/70/14/187297014.db2.gz	XIWGAFABURCEPE-CYBMUJFWSA-N	0	3	246.358	1.891	10	30		BDEEHN
C[C@@H]1OCC[C@@H]1CN[C@@H]1CCC[C@@H]1C#N	ZINC000300383349	345808496	/nfs/dbraw/zinc/80/84/96/345808496.db2.gz	OWOUPIUTUHXUJH-IRCOFANPSA-N	0	3	208.305	1.693	10	30		BDEEHN
C#CCNCc1ccc(O)c(OCC)c1	ZINC000019875363	187314099	/nfs/dbraw/zinc/31/40/99/187314099.db2.gz	ANMJFPYHZVBMKI-UHFFFAOYSA-N	0	3	205.257	1.514	10	30		BDEEHN
O=CC1(CN2CCCOCC2)CCCC1	ZINC000061934042	346177242	/nfs/dbraw/zinc/17/72/42/346177242.db2.gz	PEGMIESOBJMKRS-UHFFFAOYSA-N	0	3	211.305	1.468	10	30		BDEEHN
Cc1cccc([C@@H](C#N)NCCN(C)C)c1	ZINC000019987653	179178721	/nfs/dbraw/zinc/17/87/21/179178721.db2.gz	XNOSYSZBHZNFHL-CYBMUJFWSA-N	0	3	217.316	1.711	10	30		BDEEHN
Cc1cccc([C@@H](CN)N(CC#N)CC#N)c1	ZINC000042965755	179184451	/nfs/dbraw/zinc/18/44/51/179184451.db2.gz	MBFWYBYYUILKDN-CYBMUJFWSA-N	0	3	228.299	1.344	10	30		BDEEHN
Cn1cncc1CCN[C@H]1CCCC[C@@H]1C#N	ZINC000401789058	347878395	/nfs/dbraw/zinc/87/83/95/347878395.db2.gz	VLWQHLQIIPPEBV-YPMHNXCESA-N	0	3	232.331	1.635	10	30		BDEEHN
CC[C@H](NC(=O)[C@H](N)CCCCC#N)C(C)C	ZINC000594431126	348045691	/nfs/dbraw/zinc/04/56/91/348045691.db2.gz	IEAUANNPYTTXBK-NEPJUHHUSA-N	0	3	239.363	1.948	10	30		BDEEHN
C[C@H](NC(=O)[C@@H](N)CCCCC#N)C1CC1	ZINC000594426493	348052146	/nfs/dbraw/zinc/05/21/46/348052146.db2.gz	RUPPCVREHQDOQF-ONGXEEELSA-N	0	3	223.320	1.312	10	30		BDEEHN
CCC[C@@H]1C[C@@H]1NC(=O)[C@H](N)CCCCC#N	ZINC000594445386	348055646	/nfs/dbraw/zinc/05/56/46/348055646.db2.gz	DZPRMIBNRZZCCG-UTUOFQBUSA-N	0	3	237.347	1.702	10	30		BDEEHN
N#Cc1ccc(CNC2CC(CO)C2)cc1	ZINC000595000685	348169585	/nfs/dbraw/zinc/16/95/85/348169585.db2.gz	LCOZGPYRNJYESF-UHFFFAOYSA-N	0	3	216.284	1.419	10	30		BDEEHN
N#C[C@@H]1CCCC[C@H]1NC[C@@H]1CCOC1	ZINC000054826034	348665348	/nfs/dbraw/zinc/66/53/48/348665348.db2.gz	FCJIZKAWXZERGI-SDDRHHMPSA-N	0	3	208.305	1.695	10	30		BDEEHN
Cc1nccn1Cc1ccc(F)cc1C#CCN	ZINC000049610091	180270029	/nfs/dbraw/zinc/27/00/29/180270029.db2.gz	KNFNXSBTHRIUJH-UHFFFAOYSA-N	0	3	243.285	1.689	10	30		BDEEHN
Cc1nn(-c2ccc(C#N)cc2)c(C)c1CN	ZINC000037065008	180327299	/nfs/dbraw/zinc/32/72/99/180327299.db2.gz	OSWOYJLRESYAMN-UHFFFAOYSA-N	0	3	226.283	1.820	10	30		BDEEHN
Cc1nn(C)c(NC[C@@H]2CCCN(C)C2)c1C#N	ZINC000111350184	180357712	/nfs/dbraw/zinc/35/77/12/180357712.db2.gz	IJSBZEHSYOZKIM-NSHDSACASA-N	0	3	247.346	1.354	10	30		BDEEHN
N#Cc1cccc([C@@H]2CCCN2CCO)c1	ZINC000616608459	350804616	/nfs/dbraw/zinc/80/46/16/350804616.db2.gz	VYQFYRAJFJFMEX-ZDUSSCGKSA-N	0	3	216.284	1.687	10	30		BDEEHN
N#Cc1cccc([C@@H]2CCCN(CCO)C2)c1	ZINC000616619874	350928352	/nfs/dbraw/zinc/92/83/52/350928352.db2.gz	BRENVGLDMQYRQO-CQSZACIVSA-N	0	3	230.311	1.730	10	30		BDEEHN
C=C(CS)CN1CCSC[C@H]1C	ZINC000231631529	350990146	/nfs/dbraw/zinc/99/01/46/350990146.db2.gz	OLQZUBYUMNRBDA-SECBINFHSA-N	0	3	203.376	1.910	10	30		BDEEHN
C[C@@H]1CCN(C(C)(C)C=O)CCS1	ZINC000306832729	351145412	/nfs/dbraw/zinc/14/54/12/351145412.db2.gz	ONTRLSKXFGNBTR-SECBINFHSA-N	0	3	201.335	1.791	10	30		BDEEHN
CN1CCCO[C@@H](c2ccc(C#N)cc2)C1	ZINC000616653602	351194123	/nfs/dbraw/zinc/19/41/23/351194123.db2.gz	YTFMELKPFCOSAQ-CYBMUJFWSA-N	0	3	216.284	1.951	10	30		BDEEHN
CC(C)N1CCNC[C@@H]1c1ccc(C#N)cc1	ZINC000616637647	351134821	/nfs/dbraw/zinc/13/48/21/351134821.db2.gz	PZJAEWRPXGTSIO-CQSZACIVSA-N	0	3	229.327	1.913	10	30		BDEEHN
Cc1cc(C#N)nc(N(C)C[C@H]2CCN(C)C2)n1	ZINC000231901400	351449119	/nfs/dbraw/zinc/44/91/19/351449119.db2.gz	ZVHCBCBNLAVWDI-NSHDSACASA-N	0	3	245.330	1.045	10	30		BDEEHN
C[C@@H](CCC#N)N1CCN2CCCC[C@@H]2C1	ZINC000411397812	191180852	/nfs/dbraw/zinc/18/08/52/191180852.db2.gz	ZWUIYYZJDVSOQX-QWHCGFSZSA-N	0	3	221.348	1.849	10	30		BDEEHN
C#CCn1c(C)nc(CC(C)(C)C)c1N	ZINC000105064869	188051490	/nfs/dbraw/zinc/05/14/90/188051490.db2.gz	NNKMCYBICOMZQF-UHFFFAOYSA-N	0	3	205.305	1.996	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1NCCN1CCCC1	ZINC000054830117	181059930	/nfs/dbraw/zinc/05/99/30/181059930.db2.gz	KQLANDPECXKDKU-RYUDHWBXSA-N	0	3	207.321	1.364	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1NCCCCn1ccnc1	ZINC000054828286	181060224	/nfs/dbraw/zinc/06/02/24/181060224.db2.gz	AAHAFJFZOZQVNT-STQMWFEESA-N	0	3	232.331	1.945	10	30		BDEEHN
N#Cc1ccc(N[C@H]2CN3CCC2CC3)c(N)c1	ZINC000035674398	181126330	/nfs/dbraw/zinc/12/63/30/181126330.db2.gz	QCAFTZSYQXJRLS-AWEZNQCLSA-N	0	3	242.326	1.647	10	30		BDEEHN
N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCCC1	ZINC000253561350	181182142	/nfs/dbraw/zinc/18/21/42/181182142.db2.gz	CAIRBHNHRCMZMM-UHFFFAOYSA-N	0	3	235.247	1.032	10	30		BDEEHN
N=C(N)NN=C1CCCc2ccccc21	ZINC000006672972	181188173	/nfs/dbraw/zinc/18/81/73/181188173.db2.gz	CNZLDSHPYQPXMZ-GXDHUFHOSA-N	0	3	202.261	1.210	10	30		BDEEHN
C=C(Br)CN[C@H]1CCC[C@@H]1O	ZINC000168283879	356714312	/nfs/dbraw/zinc/71/43/12/356714312.db2.gz	QFJHCSKEWJNBPS-YUMQZZPRSA-N	0	3	220.110	1.398	10	30		BDEEHN
C=CCN1C[C@@H]2C[C@H](C1)c1cc(N)c(N)cc12	ZINC000584615860	358280261	/nfs/dbraw/zinc/28/02/61/358280261.db2.gz	NLUXVPLHCLDSHS-AOOOYVTPSA-N	0	3	229.327	1.924	10	30		BDEEHN
CN(C)CC/N=C/c1ccc2c(c1)CCO2	ZINC000584661464	358312610	/nfs/dbraw/zinc/31/26/10/358312610.db2.gz	BYYOVLWBWBAYJC-GXDHUFHOSA-N	0	3	218.300	1.602	10	30		BDEEHN
C=C(C)CN(CC)C(=O)CN[C@H](C)COC	ZINC000309621378	491153568	/nfs/dbraw/zinc/15/35/68/491153568.db2.gz	FINMBABVYIIJAC-LLVKDONJSA-N	0	3	228.336	1.036	10	30		BDEEHN
NCC#Cc1ccc(OCCn2ccnc2)cc1	ZINC000049610068	181346120	/nfs/dbraw/zinc/34/61/20/181346120.db2.gz	USIMUCGYZQDQOA-UHFFFAOYSA-N	0	3	241.294	1.272	10	30		BDEEHN
NCC#Cc1ccccc1NC(=O)c1ccco1	ZINC000037550859	181347612	/nfs/dbraw/zinc/34/76/12/181347612.db2.gz	OKFZJCGZCNWGFD-UHFFFAOYSA-N	0	3	240.262	1.842	10	30		BDEEHN
NCC#Cc1ccc(N2CCCC2=O)c(F)c1	ZINC000037556804	181346318	/nfs/dbraw/zinc/34/63/18/181346318.db2.gz	DZLAKEJTTJUQKL-UHFFFAOYSA-N	0	3	232.258	1.263	10	30		BDEEHN
NCC#Cc1ccc(OC[C@H]2CCOC2)cc1	ZINC000049689765	181346473	/nfs/dbraw/zinc/34/64/73/181346473.db2.gz	RNZWFWOSJQSKMJ-ZDUSSCGKSA-N	0	3	231.295	1.412	10	30		BDEEHN
NCC#Cc1ccc(OC[C@@H]2CCCO2)cc1	ZINC000037547941	181346568	/nfs/dbraw/zinc/34/65/68/181346568.db2.gz	LHUSWVCHRHOMAP-AWEZNQCLSA-N	0	3	231.295	1.555	10	30		BDEEHN
NCC#Cc1cccc(CN2CCSCC2)c1	ZINC000049608772	181346598	/nfs/dbraw/zinc/34/65/98/181346598.db2.gz	FXFRQYPCLYWCAL-UHFFFAOYSA-N	0	3	246.379	1.546	10	30		BDEEHN
N=C(N)NN=Cc1sc(Cl)nc1Cl	ZINC000252664786	364756159	/nfs/dbraw/zinc/75/61/59/364756159.db2.gz	NVCQAPUPYDMGSX-UHFFFAOYSA-N	0	3	238.103	1.267	10	30		BDEEHN
CC[C@](C)(O)CN[C@@H]1CCCC[C@H]1C#N	ZINC000251245641	369745985	/nfs/dbraw/zinc/74/59/85/369745985.db2.gz	JJCMZRDKYPCPDO-TUAOUCFPSA-N	0	3	210.321	1.819	10	30		BDEEHN
N#CCC[C@H](C#N)CN[C@H]1CCC[C@H](O)C1	ZINC000309558338	370229530	/nfs/dbraw/zinc/22/95/30/370229530.db2.gz	INPGXZHSFXCTIJ-WOPDTQHZSA-N	0	3	221.304	1.323	10	30		BDEEHN
CCN1CC[C@@H](Nc2ccc(C#N)c(C)n2)C1	ZINC000389291636	371128096	/nfs/dbraw/zinc/12/80/96/371128096.db2.gz	XTHZKTSLVUGFPD-GFCCVEGCSA-N	0	3	230.315	1.190	10	30		BDEEHN
N#C[C@@H]1CCCC[C@@H]1NCC1(O)CCC1	ZINC000131168454	371307627	/nfs/dbraw/zinc/30/76/27/371307627.db2.gz	DEACEBKBKFAZGB-QWRGUYRKSA-N	0	3	208.305	1.573	10	30		BDEEHN
N#C[C@@H]1CCCC[C@H]1NCC1(O)CCC1	ZINC000131168658	371309919	/nfs/dbraw/zinc/30/99/19/371309919.db2.gz	DEACEBKBKFAZGB-WDEREUQCSA-N	0	3	208.305	1.573	10	30		BDEEHN
N#C[C@@H]1CCCC[C@@H]1NCC1(O)CCOCC1	ZINC000162332335	371660621	/nfs/dbraw/zinc/66/06/21/371660621.db2.gz	MDRJGXKPWOGKGB-RYUDHWBXSA-N	0	3	238.331	1.200	10	30		BDEEHN
C#CCN[C@@H](CC)CNC(=O)OC(C)(C)C	ZINC000227727040	371926942	/nfs/dbraw/zinc/92/69/42/371926942.db2.gz	DEVBOUDVESDNND-JTQLQIEISA-N	0	3	226.320	1.513	10	30		BDEEHN
N=C(N)NN=Cc1sccc1Br	ZINC000228023523	371978914	/nfs/dbraw/zinc/97/89/14/371978914.db2.gz	ZUWNMYHEUQZOMU-XCVCLJGOSA-N	0	3	247.121	1.328	10	30		BDEEHN
C#C[C@H](NC)[C@@H]1SCCS[C@@H]1C	ZINC000228122244	371994054	/nfs/dbraw/zinc/99/40/54/371994054.db2.gz	XMLGBHVHIZCTMR-HRDYMLBCSA-N	0	3	201.360	1.445	10	30		BDEEHN
C#C[C@H](N)[C@@H]1SCCS[C@H]1CC	ZINC000228290073	372012038	/nfs/dbraw/zinc/01/20/38/372012038.db2.gz	IRKNBIHTZIAIBL-CIUDSAMLSA-N	0	3	201.360	1.574	10	30		BDEEHN
CCCN1CCC(C#N)(NC(C)C)CC1	ZINC000036924717	169186639	/nfs/dbraw/zinc/18/66/39/169186639.db2.gz	LXXYRLFTVZTIJO-UHFFFAOYSA-N	0	3	209.337	1.753	10	30		BDEEHN
CCC[C@@H](C)NC(=O)c1ccccc1C#CCN	ZINC000037570095	169369237	/nfs/dbraw/zinc/36/92/37/169369237.db2.gz	OFOYPKYKWHXFID-GFCCVEGCSA-N	0	3	244.338	1.915	10	30		BDEEHN
CCC[C@@H](N)C(=O)N(CC#N)Cc1ccccc1	ZINC000038101683	169387291	/nfs/dbraw/zinc/38/72/91/169387291.db2.gz	DITCRSOJVGCMGO-CYBMUJFWSA-N	0	3	245.326	1.666	10	30		BDEEHN
C[C@H]1CN2CCCC[C@@H]2CN1CCC#N	ZINC000083704476	384321304	/nfs/dbraw/zinc/32/13/04/384321304.db2.gz	FODDZYWBQSPBRU-NWDGAFQWSA-N	0	3	207.321	1.459	10	30		BDEEHN
C=C(C)CN1CCC[C@@H](NC(=O)CCC)C1	ZINC000101564503	384797034	/nfs/dbraw/zinc/79/70/34/384797034.db2.gz	VFFXVDHNCWARLH-GFCCVEGCSA-N	0	3	224.348	1.943	10	30		BDEEHN
C=CCN1CCN(CCOCC)[C@@H](CC)C1	ZINC000105838216	384806981	/nfs/dbraw/zinc/80/69/81/384806981.db2.gz	AIGIQIKQEGUVRE-ZDUSSCGKSA-N	0	3	226.364	1.605	10	30		BDEEHN
C#CCN1CCC[C@H](Cn2nc(C)nc2C)C1	ZINC000105884901	533154273	/nfs/dbraw/zinc/15/42/73/533154273.db2.gz	OIQJISUJLBVSKP-ZDUSSCGKSA-N	0	3	232.331	1.240	10	30		BDEEHN
C#CC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000575595709	387333844	/nfs/dbraw/zinc/33/38/44/387333844.db2.gz	UHIOMDHOFVKLAC-HNNXBMFYSA-N	0	3	242.322	1.400	10	30		BDEEHN
Cc1cc(N2CCN3CCC[C@H]3C2)c(C#N)cn1	ZINC000399486160	387709835	/nfs/dbraw/zinc/70/98/35/387709835.db2.gz	YZTBKZZXSJWAND-ZDUSSCGKSA-N	0	3	242.326	1.546	10	30		BDEEHN
CC#CCN1CCC[C@@H]1Cn1ccnc1C	ZINC000178331838	387922800	/nfs/dbraw/zinc/92/28/00/387922800.db2.gz	JECPGZDRMSEGGU-CYBMUJFWSA-N	0	3	217.316	1.679	10	30		BDEEHN
C[C@H]1CN2CCCC[C@@H]2CN1CCCC#N	ZINC000083704422	388058911	/nfs/dbraw/zinc/05/89/11/388058911.db2.gz	CSBPTVZYGVHUKS-QWHCGFSZSA-N	0	3	221.348	1.849	10	30		BDEEHN
N#Cc1ncccc1N1CCN2CCC[C@H]2C1	ZINC000250072705	388586022	/nfs/dbraw/zinc/58/60/22/388586022.db2.gz	HSZOBFIRVXOHPO-NSHDSACASA-N	0	3	228.299	1.238	10	30		BDEEHN
C[C@@H]1CSC(NCC2CSC2)=N1	ZINC000575487374	388876633	/nfs/dbraw/zinc/87/66/33/388876633.db2.gz	LPMVWGAKWHMRPK-ZCFIWIBFSA-N	0	3	202.348	1.430	10	30		BDEEHN
C#CCN[C@@H]1CCCC[C@@H]1n1cccn1	ZINC000128514132	133647300	/nfs/dbraw/zinc/64/73/00/133647300.db2.gz	VTAPDFPNLAXOEU-NEPJUHHUSA-N	0	3	203.289	1.590	10	30		BDEEHN
C[C@H](C#N)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1	ZINC000182225974	134343416	/nfs/dbraw/zinc/34/34/16/134343416.db2.gz	VWFFZQWZGSAKTG-YRGRVCCFSA-N	0	3	233.359	1.847	10	30		BDEEHN
CC(C#N)C(=O)N1C[C@H]2CCCCN2C[C@@H]1C	ZINC000227711025	134384538	/nfs/dbraw/zinc/38/45/38/134384538.db2.gz	RFKVDGSQQIZBDZ-GRYCIOLGSA-N	0	3	235.331	1.231	10	30		BDEEHN
C=C(Cl)CN[C@@H]1CCC[C@@H]1[C@H]1COCCN1	ZINC000262031760	135273588	/nfs/dbraw/zinc/27/35/88/135273588.db2.gz	XMNUQJDEZFDTGA-QJPTWQEYSA-N	0	3	244.766	1.486	10	30		BDEEHN
Cn1cncc1CCN[C@@H]1CCC[C@@H]1C#N	ZINC000401851076	397984754	/nfs/dbraw/zinc/98/47/54/397984754.db2.gz	SQHUGXPVDCVQBT-ZYHUDNBSSA-N	0	3	218.304	1.244	10	30		BDEEHN
C#CCNC[C@@H](C)N(C)Cc1ccc(F)cc1	ZINC000053498674	166188196	/nfs/dbraw/zinc/18/81/96/166188196.db2.gz	NUYZGJLIYOMWFC-GFCCVEGCSA-N	0	3	234.318	1.869	10	30		BDEEHN
C#CCOc1ccc(CNCCOC)cc1OC	ZINC000045945866	166198739	/nfs/dbraw/zinc/19/87/39/166198739.db2.gz	GCOFKPRVWXBGNJ-UHFFFAOYSA-N	0	3	249.310	1.443	10	30		BDEEHN
C=CCN(Cc1ccc(N(C)C)cc1)C(=O)CN	ZINC000076632769	166347341	/nfs/dbraw/zinc/34/73/41/166347341.db2.gz	XJSBYAGBDPILAF-UHFFFAOYSA-N	0	3	247.342	1.226	10	30		BDEEHN
C=CCNC(=O)C(C#N)Cc1ccccc1	ZINC000044812596	166381565	/nfs/dbraw/zinc/38/15/65/166381565.db2.gz	KNMLOFLSPRWNRY-GFCCVEGCSA-N	0	3	214.268	1.671	10	30		BDEEHN
C=CCNCC(=O)N[C@H](C)c1ccc(F)cc1	ZINC000095081772	166399276	/nfs/dbraw/zinc/39/92/76/166399276.db2.gz	SDNADQIIPUCYAP-SNVBAGLBSA-N	0	3	236.290	1.779	10	30		BDEEHN
CCC(=O)Nc1ccc(F)cc1C#CCN	ZINC000037471252	168244532	/nfs/dbraw/zinc/24/45/32/168244532.db2.gz	SPRXJFASCGEWEL-UHFFFAOYSA-N	0	3	220.247	1.484	10	30		BDEEHN
CCOC(=O)CCNCc1cccc(C#N)c1	ZINC000037749376	170208738	/nfs/dbraw/zinc/20/87/38/170208738.db2.gz	REWQRBWAPHRUCE-UHFFFAOYSA-N	0	3	232.283	1.601	10	30		BDEEHN
CCOC(=O)Nc1ccc(C)c(C#CCN)c1	ZINC000104072146	170243714	/nfs/dbraw/zinc/24/37/14/170243714.db2.gz	BMIVYWFVNGPRLM-UHFFFAOYSA-N	0	3	232.283	1.874	10	30		BDEEHN
CC[C@@H]1CN(CC2(C=O)CCCC2)CCN1C	ZINC000104137303	171077201	/nfs/dbraw/zinc/07/72/01/171077201.db2.gz	BMMNLJPUMOUBII-CYBMUJFWSA-N	0	3	238.375	1.772	10	30		BDEEHN
CC[C@@H]1CO[C@@H](c2ccc(C#N)cc2)CN1	ZINC000036672722	171109833	/nfs/dbraw/zinc/10/98/33/171109833.db2.gz	CFKKNKPLQUMDJB-CHWSQXEVSA-N	0	3	216.284	1.998	10	30		BDEEHN
CC[C@H](C#N)N1CC[C@H](N2CCCCC2)C1	ZINC000062979951	171219518	/nfs/dbraw/zinc/21/95/18/171219518.db2.gz	DPHZFJXJIKCVDE-OLZOCXBDSA-N	0	3	221.348	1.849	10	30		BDEEHN
CN(C[C@@H]1CCN(C)C1)C(=O)c1ccc(C#N)o1	ZINC000311200213	173113818	/nfs/dbraw/zinc/11/38/18/173113818.db2.gz	HGOIQBFLBDYDLS-SNVBAGLBSA-N	0	3	247.298	1.175	10	30		BDEEHN
CN1CC[C@@H](Nc2ccc(C#N)cc2)C1	ZINC000048738743	173125137	/nfs/dbraw/zinc/12/51/37/173125137.db2.gz	BFTQMZYTLHOGDC-GFCCVEGCSA-N	0	3	201.273	1.674	10	30		BDEEHN
CN1CC[C@@H](Nc2cccc(C#N)c2)C1	ZINC000061984640	173126163	/nfs/dbraw/zinc/12/61/63/173126163.db2.gz	BIJJSHFYAVQJBC-GFCCVEGCSA-N	0	3	201.273	1.674	10	30		BDEEHN
CN1CC[C@H](Nc2ccc(N)cc2C#N)C1	ZINC000042545210	173154367	/nfs/dbraw/zinc/15/43/67/173154367.db2.gz	GWEPBJBYJXJIOD-NSHDSACASA-N	0	3	216.288	1.256	10	30		BDEEHN
CNC(C)(C)C(=O)Nc1ccccc1C#N	ZINC000061300194	173319059	/nfs/dbraw/zinc/31/90/59/173319059.db2.gz	ISTVFJZSHVEMSV-UHFFFAOYSA-N	0	3	217.272	1.495	10	30		BDEEHN
CN[C@@H](C)C(=O)N(C)c1ccc(C#N)cc1	ZINC000061980672	173412699	/nfs/dbraw/zinc/41/26/99/173412699.db2.gz	HGOGPGPGPIUJIE-VIFPVBQESA-N	0	3	217.272	1.129	10	30		BDEEHN
COCCNC(Cc1ccc(C)c(C)c1)=NN	ZINC000053293266	174303439	/nfs/dbraw/zinc/30/34/39/174303439.db2.gz	SMSWOLNMAGFWCL-UHFFFAOYSA-N	0	3	235.331	1.354	10	30		BDEEHN
C[C@@H](S)[C@@H]1NCCc2ccc(N)cc21	ZINC000075752004	176006929	/nfs/dbraw/zinc/00/69/29/176006929.db2.gz	JAEUJKOIFWFDGX-HQJQHLMTSA-N	0	3	208.330	1.774	10	30		BDEEHN
C[C@@H](c1ccc(C#CCN)cc1)N1CCCC1=O	ZINC000049587749	176013634	/nfs/dbraw/zinc/01/36/34/176013634.db2.gz	MQAPUTPSCGOQBF-LBPRGKRZSA-N	0	3	242.322	1.680	10	30		BDEEHN
C[C@H]1CCCN1C(=O)c1ccccc1C#CCN	ZINC000037912568	177108472	/nfs/dbraw/zinc/10/84/72/177108472.db2.gz	VJZVNXADNMVVMF-LBPRGKRZSA-N	0	3	242.322	1.621	10	30		BDEEHN
C[C@H]1CC[C@@H](C(N)=O)CN1[C@@H]1CCC[C@@H]1C#N	ZINC000042428746	177182226	/nfs/dbraw/zinc/18/22/26/177182226.db2.gz	DTQYZLFDMSLLAP-IRCOFANPSA-N	0	3	235.331	1.264	10	30		BDEEHN
Cc1c(F)cc(C#N)cc1NC(=O)CNC(C)C	ZINC000037610331	177605638	/nfs/dbraw/zinc/60/56/38/177605638.db2.gz	PVHIWJJLVZQEIP-UHFFFAOYSA-N	0	3	249.289	1.942	10	30		BDEEHN
CCN1CCC[C@@H](NCc2ccc(C#N)o2)C1	ZINC000135161290	325398077	/nfs/dbraw/zinc/39/80/77/325398077.db2.gz	PZMLJWQQRLEPKN-LLVKDONJSA-N	0	3	233.315	1.725	10	30		BDEEHN
N#Cc1ccc(CN[C@@H]2CCC[C@@H](O)C2)o1	ZINC000135482894	487973596	/nfs/dbraw/zinc/97/35/96/487973596.db2.gz	CNUOQVHPAWXTFM-NXEZZACHSA-N	0	3	220.272	1.544	10	30		BDEEHN
CC#CCN1CCCC[C@@H](N2CCN(C)CC2)C1	ZINC000174882686	534708668	/nfs/dbraw/zinc/70/86/68/534708668.db2.gz	VLKJEPUUYWVXLR-OAHLLOKOSA-N	0	3	249.402	1.112	10	30		BDEEHN
C=CCN(C)[C@H]1CCCN(c2cccnn2)C1	ZINC000105803697	534818709	/nfs/dbraw/zinc/81/87/09/534818709.db2.gz	LVIPPKAHPXZZJC-LBPRGKRZSA-N	0	3	232.331	1.563	10	30		BDEEHN
C[C@@H]1CC[C@H](C(=O)C(C#N)c2ccccn2)O1	ZINC000121504579	582841095	/nfs/dbraw/zinc/84/10/95/582841095.db2.gz	IAJBQRCOFSVTJD-JFGNBEQYSA-N	0	3	230.267	1.825	10	30		BDEEHN
COc1ccc(C#N)cc1CNC(C)(C)CO	ZINC000130239827	641599590	/nfs/dbraw/zinc/59/95/90/641599590.db2.gz	UBSKICCQSXWDJT-UHFFFAOYSA-N	0	3	234.299	1.427	10	30		BDEEHN
CCC(C=O)(CC)CN(CCOC)CCOC	ZINC000103508724	168311316	/nfs/dbraw/zinc/31/13/16/168311316.db2.gz	YSFUPGTWSWLHLO-UHFFFAOYSA-N	0	3	245.363	1.587	10	30		BDEEHN
C#CCC(=O)CCNCc1ccccc1	ZINC000685960592	538907443	/nfs/dbraw/zinc/90/74/43/538907443.db2.gz	UAXGGDBRBVGNLO-UHFFFAOYSA-N	0	3	201.269	1.759	10	30		BDEEHN
Cc1ccc(C#N)cc1N[C@@H]1CCN(C)C1	ZINC000061989846	178367270	/nfs/dbraw/zinc/36/72/70/178367270.db2.gz	CLENNPRKJKZIMG-GFCCVEGCSA-N	0	3	215.300	1.983	10	30		BDEEHN
N#Cc1ccc(N2CCN3CCCC[C@H]3C2)cn1	ZINC000250087145	398296055	/nfs/dbraw/zinc/29/60/55/398296055.db2.gz	MSUXOURFUDWQMH-AWEZNQCLSA-N	0	3	242.326	1.628	10	30		BDEEHN
C=CCNC[C@H](O)COc1c(C)cccc1C	ZINC000033465465	187207703	/nfs/dbraw/zinc/20/77/03/187207703.db2.gz	UNIXAKDSHBLTFY-ZDUSSCGKSA-N	0	3	235.327	1.819	10	30		BDEEHN
CN(C)C(=O)CCCN[C@H]1CCC[C@H]1C#N	ZINC000309977157	343124557	/nfs/dbraw/zinc/12/45/57/343124557.db2.gz	UELALRWPSKLAOY-QWRGUYRKSA-N	0	3	223.320	1.137	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1N[C@@H]1CCCOCC1	ZINC000083425708	343484899	/nfs/dbraw/zinc/48/48/99/343484899.db2.gz	FTUACUODWKSADA-TUAOUCFPSA-N	0	3	208.305	1.837	10	30		BDEEHN
Cc1nccn1C[C@@H]1CCCN1CCCC#N	ZINC000178284121	346950783	/nfs/dbraw/zinc/95/07/83/346950783.db2.gz	UFJDOHSBDCAJJB-ZDUSSCGKSA-N	0	3	232.331	1.960	10	30		BDEEHN
C#CCn1nc(-c2ccccn2)cc1CNC	ZINC000409443745	343862901	/nfs/dbraw/zinc/86/29/01/343862901.db2.gz	SVHBZSYIAJHFHM-UHFFFAOYSA-N	0	3	226.283	1.298	10	30		BDEEHN
C#CCN[C@@H]1CC[C@@H]2SCCS[C@H]12	ZINC000306969613	343893011	/nfs/dbraw/zinc/89/30/11/343893011.db2.gz	SITBMZVQRPOLPB-KXUCPTDWSA-N	0	3	213.371	1.589	10	30		BDEEHN
C=C(Br)CSC1=NC[C@H](C)N1	ZINC000306929389	343893076	/nfs/dbraw/zinc/89/30/76/343893076.db2.gz	BBNCPZVRNDSASO-LURJTMIESA-N	0	3	235.150	1.976	10	30		BDEEHN
C=C(C)C[C@H](O)[C@H]1CSCCN1C	ZINC000234321449	343940898	/nfs/dbraw/zinc/94/08/98/343940898.db2.gz	GKWBLFUDOFNSJX-ZJUUUORDSA-N	0	3	201.335	1.361	10	30		BDEEHN
C[C@@]1(O)CCCN(C/C=C/CS)CC1	ZINC000230384542	344569738	/nfs/dbraw/zinc/56/97/38/344569738.db2.gz	DYPSJBRRGFBFHM-KXMPLOMGSA-N	0	3	215.362	1.709	10	30		BDEEHN
CC#CCN1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000247882115	344695652	/nfs/dbraw/zinc/69/56/52/344695652.db2.gz	BWEQNSLDTHGKRV-STQMWFEESA-N	0	3	207.317	1.637	10	30		BDEEHN
CN(C)C[C@H](NC(=O)CC#N)c1ccccc1	ZINC000120605292	344895769	/nfs/dbraw/zinc/89/57/69/344895769.db2.gz	MLONIDGPWFZZFL-LBPRGKRZSA-N	0	3	231.299	1.319	10	30		BDEEHN
COC[C@H](C)NCc1ccnc(C#N)c1	ZINC000082669192	345664201	/nfs/dbraw/zinc/66/42/01/345664201.db2.gz	IGMPSPSWBRXIPH-VIFPVBQESA-N	0	3	205.261	1.078	10	30		BDEEHN
CNc1cc(N2CCC(C#N)CC2)nc(C)n1	ZINC000258768580	345786335	/nfs/dbraw/zinc/78/63/35/345786335.db2.gz	QGIOHXFEXBAYJA-UHFFFAOYSA-N	0	3	231.303	1.567	10	30		BDEEHN
C#Cc1ccc2c(c1)[C@H](N)[C@@H](O)C(C)(C)O2	ZINC000141376321	345859843	/nfs/dbraw/zinc/85/98/43/345859843.db2.gz	VNQMZYFAFRNIID-NWDGAFQWSA-N	0	3	217.268	1.200	10	30		BDEEHN
CC(=O)N1CCCC[C@@H]1C#CCN1CCCC1	ZINC000005160057	187363679	/nfs/dbraw/zinc/36/36/79/187363679.db2.gz	DSPDJPFEBQTXDO-CQSZACIVSA-N	0	3	234.343	1.487	10	30		BDEEHN
Cc1cccc(CN(C)CC/C(N)=N/O)c1	ZINC000019834080	179062989	/nfs/dbraw/zinc/06/29/89/179062989.db2.gz	RQXZZCOARVZHGI-UHFFFAOYSA-N	0	3	221.304	1.563	10	30		BDEEHN
Cc1ccc(NC(N)=NN)c(Br)c1	ZINC000164578893	346610501	/nfs/dbraw/zinc/61/05/01/346610501.db2.gz	RNJOGJRGXJDUFZ-UHFFFAOYSA-N	0	3	243.108	1.358	10	30		BDEEHN
Cn1cc(CCN[C@@H]2CCCC[C@@H]2C#N)cn1	ZINC000128314251	346775930	/nfs/dbraw/zinc/77/59/30/346775930.db2.gz	STRIRKJLYZRVDN-CHWSQXEVSA-N	0	3	232.331	1.635	10	30		BDEEHN
CN(Cc1cccnc1)C[C@@H]1CCN(CC#N)C1	ZINC000195273049	347446305	/nfs/dbraw/zinc/44/63/05/347446305.db2.gz	MHGTYDBQUSNDQF-AWEZNQCLSA-N	0	3	244.342	1.359	10	30		BDEEHN
CC[C@H](CC#N)NCC1(O)CCSCC1	ZINC000595528778	348272489	/nfs/dbraw/zinc/27/24/89/348272489.db2.gz	FEDQGRLIFDTTML-SNVBAGLBSA-N	0	3	228.361	1.526	10	30		BDEEHN
CCN1CCOC[C@@H](c2ccc(C#N)cc2)C1	ZINC000616596870	350638293	/nfs/dbraw/zinc/63/82/93/350638293.db2.gz	DIUQJOPYAYHIHV-AWEZNQCLSA-N	0	3	230.311	1.994	10	30		BDEEHN
CCN1CCN[C@H](c2cccc(C#N)c2)C1	ZINC000616632833	351113470	/nfs/dbraw/zinc/11/34/70/351113470.db2.gz	QROXMCUIQPXOPL-ZDUSSCGKSA-N	0	3	215.300	1.524	10	30		BDEEHN
CNC(=O)CCCN[C@@H]1CCCC[C@H]1C#N	ZINC000398385303	351127921	/nfs/dbraw/zinc/12/79/21/351127921.db2.gz	VWQBUCRLTKNGRS-WDEREUQCSA-N	0	3	223.320	1.185	10	30		BDEEHN
CCN1CCNC[C@@H]1c1cccc(C#N)c1	ZINC000616636934	351130432	/nfs/dbraw/zinc/13/04/32/351130432.db2.gz	GSIKVAKNLFOHDG-CYBMUJFWSA-N	0	3	215.300	1.524	10	30		BDEEHN
CN1CCO[C@H](c2ccc(C#N)cc2)CC1	ZINC000616684190	351255102	/nfs/dbraw/zinc/25/51/02/351255102.db2.gz	GGUHPDCZJLAIQS-ZDUSSCGKSA-N	0	3	216.284	1.951	10	30		BDEEHN
N#Cc1ccc([C@H]2CCOCCN2)cc1	ZINC000616658422	351203759	/nfs/dbraw/zinc/20/37/59/351203759.db2.gz	HVLAIAHERIJHRR-GFCCVEGCSA-N	0	3	202.257	1.609	10	30		BDEEHN
CN1CCO[C@@H](c2cccc(C#N)c2)CC1	ZINC000616666552	351226888	/nfs/dbraw/zinc/22/68/88/351226888.db2.gz	YDNNEICROZYFOK-CYBMUJFWSA-N	0	3	216.284	1.951	10	30		BDEEHN
C=CCN[C@@H](C)C(=O)NC1CCCCC1	ZINC000034936803	351349877	/nfs/dbraw/zinc/34/98/77/351349877.db2.gz	JQIIPDOCOMQCKP-JTQLQIEISA-N	0	3	210.321	1.599	10	30		BDEEHN
COc1ccc(CN(C)C)cc1C#CCCO	ZINC000049616952	188045895	/nfs/dbraw/zinc/04/58/95/188045895.db2.gz	IGGBYDNDQNWCHU-UHFFFAOYSA-N	0	3	233.311	1.491	10	30		BDEEHN
C=C(Br)CN[C@H]1CCN2CCC[C@H]12	ZINC000049567835	188046342	/nfs/dbraw/zinc/04/63/42/188046342.db2.gz	ZEJMEXAZBDRFEB-VHSXEESVSA-N	0	3	245.164	1.721	10	30		BDEEHN
C=CCC(CC=C)C(=O)N1CC[C@@H](N(C)C)C1	ZINC000130453537	353349871	/nfs/dbraw/zinc/34/98/71/353349871.db2.gz	XBJHDNJUSJNSBA-CYBMUJFWSA-N	0	3	236.359	1.917	10	30		BDEEHN
N#CCCCN1CCC(Nc2cccnn2)CC1	ZINC000105804994	181036096	/nfs/dbraw/zinc/03/60/96/181036096.db2.gz	WUOBGETTWFFLFL-UHFFFAOYSA-N	0	3	245.330	1.657	10	30		BDEEHN
CC1(CN[C@@H]2CCCC[C@@H]2C#N)COC1	ZINC000087197467	353943818	/nfs/dbraw/zinc/94/38/18/353943818.db2.gz	UIBWTONDMVJYSU-GHMZBOCLSA-N	0	3	208.305	1.695	10	30		BDEEHN
N#C[C@@H]1CCCC[C@H]1NC1CCC(C(N)=O)CC1	ZINC000054825986	181058917	/nfs/dbraw/zinc/05/89/17/181058917.db2.gz	NFDKXEHFLOCQFJ-PYNQCMFNSA-N	0	3	249.358	1.702	10	30		BDEEHN
N#C[C@@H]1CCC[C@H]1NCC1CCOCC1	ZINC000061892671	181059709	/nfs/dbraw/zinc/05/97/09/181059709.db2.gz	WLVKPYDSLCSZDB-NWDGAFQWSA-N	0	3	208.305	1.695	10	30		BDEEHN
N#C[C@H]1CCCC[C@@H]1N[C@@H]1CN2CCC1CC2	ZINC000054824511	181067411	/nfs/dbraw/zinc/06/74/11/181067411.db2.gz	LTVHYWZBDSTGQR-HZSPNIEDSA-N	0	3	233.359	1.753	10	30		BDEEHN
N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2O)o1	ZINC000135485904	181109663	/nfs/dbraw/zinc/10/96/63/181109663.db2.gz	UPOITDLUOALDRY-NEPJUHHUSA-N	0	3	220.272	1.544	10	30		BDEEHN
N#CCC1(CN2CC[C@@H](N3CCOCC3)C2)CC1	ZINC000088259519	356644650	/nfs/dbraw/zinc/64/46/50/356644650.db2.gz	UYHHMEPHVNNAQZ-CYBMUJFWSA-N	0	3	249.358	1.087	10	30		BDEEHN
CCN1CCC[C@H]1CN(C)c1cccnc1C#N	ZINC000130067980	357170842	/nfs/dbraw/zinc/17/08/42/357170842.db2.gz	PAWRXGMNVNHJBJ-LBPRGKRZSA-N	0	3	244.342	1.874	10	30		BDEEHN
CCOC(=O)C(C#N)C1CN(C(C)(C)C)C1	ZINC000584656955	358308542	/nfs/dbraw/zinc/30/85/42/358308542.db2.gz	WKEHJYULIKMBSY-SNVBAGLBSA-N	0	3	224.304	1.420	10	30		BDEEHN
C=CCN1CCC(Cc2nccn2C)CC1	ZINC000105876428	358437065	/nfs/dbraw/zinc/43/70/65/358437065.db2.gz	PFRIPULTRVFUQN-UHFFFAOYSA-N	0	3	219.332	1.861	10	30		BDEEHN
CC(C)(F)c1csc(NC(=N)N)n1	ZINC000306151732	358918400	/nfs/dbraw/zinc/91/84/00/358918400.db2.gz	DEEWBQFQXMXRTN-UHFFFAOYSA-N	0	3	202.258	1.253	10	30		BDEEHN
CCOCCN1CCN(CCCC#N)C[C@H]1C	ZINC000247226811	359202089	/nfs/dbraw/zinc/20/20/89/359202089.db2.gz	QWRYNIJWVSURLQ-CYBMUJFWSA-N	0	3	239.363	1.333	10	30		BDEEHN
C=C(Br)CNc1cnccc1N	ZINC000306368345	359698620	/nfs/dbraw/zinc/69/86/20/359698620.db2.gz	JSKYLXDACSVUSU-UHFFFAOYSA-N	0	3	228.093	1.984	10	30		BDEEHN
CCN1CCC[C@H]1CN(C)C(=O)C(C)(C)C#N	ZINC000092630788	360186962	/nfs/dbraw/zinc/18/69/62/360186962.db2.gz	GBQMWJGJAONTHA-NSHDSACASA-N	0	3	237.347	1.479	10	30		BDEEHN
N#Cc1ccc(CN)nc1OC(F)(F)F	ZINC000238677096	361177137	/nfs/dbraw/zinc/17/71/37/361177137.db2.gz	IDXVJYAESMPHID-UHFFFAOYSA-N	0	3	217.150	1.311	10	30		BDEEHN
N#Cc1cccc(CN)c1Br	ZINC000238683792	361178822	/nfs/dbraw/zinc/17/88/22/361178822.db2.gz	CNQYEOXWLBDLGE-UHFFFAOYSA-N	0	3	211.062	1.779	10	30		BDEEHN
C=C[C@H](C)NC1CN(C(=O)OC(C)(C)C)C1	ZINC000139193156	361587493	/nfs/dbraw/zinc/58/74/93/361587493.db2.gz	JHSOKBQGZOVJDH-VIFPVBQESA-N	0	3	226.320	1.770	10	30		BDEEHN
CC#CCCN1CCN(CCOC)[C@H](CC)C1	ZINC000155463852	201334410	/nfs/dbraw/zinc/33/44/10/201334410.db2.gz	KCMTUVSBHXJYBM-CQSZACIVSA-N	0	3	238.375	1.442	10	30		BDEEHN
NCC#Cc1cccc(OCCn2ccnc2)c1	ZINC000049610073	181346202	/nfs/dbraw/zinc/34/62/02/181346202.db2.gz	XVFDEYPBIZMARS-UHFFFAOYSA-N	0	3	241.294	1.272	10	30		BDEEHN
NCC#Cc1cccc(NC(=O)C2CC2)c1	ZINC000037471192	181346850	/nfs/dbraw/zinc/34/68/50/181346850.db2.gz	VDMHLHVEWHTWTB-UHFFFAOYSA-N	0	3	214.268	1.345	10	30		BDEEHN
NCC#Cc1ccccc1COC[C@H]1CCCO1	ZINC000049610786	181346932	/nfs/dbraw/zinc/34/69/32/181346932.db2.gz	FFNFPLOYFZIYFX-OAHLLOKOSA-N	0	3	245.322	1.692	10	30		BDEEHN
NCC#Cc1ccccc1OC[C@@H]1CCOC1	ZINC000049689762	181348154	/nfs/dbraw/zinc/34/81/54/181348154.db2.gz	QSODHXFCDIMRGI-GFCCVEGCSA-N	0	3	231.295	1.412	10	30		BDEEHN
C#CCN(C)CCCNC(=O)[C@H]1CCC[C@H]1C	ZINC000383217650	367606540	/nfs/dbraw/zinc/60/65/40/367606540.db2.gz	YPVLUJIWRJRCKI-OLZOCXBDSA-N	0	3	236.359	1.494	10	30		BDEEHN
CC[C@](C)(O)CN[C@H]1CCCC[C@H]1C#N	ZINC000251245636	369746142	/nfs/dbraw/zinc/74/61/42/369746142.db2.gz	JJCMZRDKYPCPDO-SRVKXCTJSA-N	0	3	210.321	1.819	10	30		BDEEHN
CN(C)C(=O)CCCN[C@@H]1CCCC[C@H]1C#N	ZINC000390264885	371193048	/nfs/dbraw/zinc/19/30/48/371193048.db2.gz	PKWAPORAPHFGBI-NWDGAFQWSA-N	0	3	237.347	1.527	10	30		BDEEHN
c1ccc([C@H]2CCN(C[C@H]3CO3)C2)cc1	ZINC000227086266	371781897	/nfs/dbraw/zinc/78/18/97/371781897.db2.gz	BIHCBMOLOMBQJU-STQMWFEESA-N	0	3	203.285	1.875	10	30		BDEEHN
C#C[C@H](NC)[C@H]1SCCS[C@@H]1CC	ZINC000228159104	371998706	/nfs/dbraw/zinc/99/87/06/371998706.db2.gz	JKFJOIQHSZWWNP-IVZWLZJFSA-N	0	3	215.387	1.835	10	30		BDEEHN
CCC[C@H](O)CN[C@@H]1CCCC[C@@H]1C#N	ZINC000217874955	372022582	/nfs/dbraw/zinc/02/25/82/372022582.db2.gz	CIIPMDOWIZICCM-GRYCIOLGSA-N	0	3	210.321	1.819	10	30		BDEEHN
CS[C@@H]1CCC[C@@H]1NC(=O)C(C)C#N	ZINC000231677949	372070223	/nfs/dbraw/zinc/07/02/23/372070223.db2.gz	PKMYKNYLCPFBGK-XHNCKOQMSA-N	0	3	212.318	1.546	10	30		BDEEHN
OCCN[C@H]1CCCCCC/C1=N/O	ZINC000033696937	183079811	/nfs/dbraw/zinc/07/98/11/183079811.db2.gz	LXCSLIWQHWOFRH-ZJVCQKQLSA-N	0	3	200.282	1.121	10	30		BDEEHN
CCCN(C)C(=O)c1cc(C#CCN)ccc1F	ZINC000037572362	169059345	/nfs/dbraw/zinc/05/93/45/169059345.db2.gz	ZPRTYQDZDBNXGB-UHFFFAOYSA-N	0	3	248.301	1.618	10	30		BDEEHN
CCCN(CCO)[C@@H]1CCCC[C@@H]1C#N	ZINC000042452718	169167965	/nfs/dbraw/zinc/16/79/65/169167965.db2.gz	NWCUHUNXUNLBQR-VXGBXAGGSA-N	0	3	210.321	1.773	10	30		BDEEHN
N#Cc1cc(F)ccc1N1CCN2CCC[C@@H]2C1	ZINC000089709892	383990943	/nfs/dbraw/zinc/99/09/43/383990943.db2.gz	YSMIBPUPCBGBKV-CYBMUJFWSA-N	0	3	245.301	1.982	10	30		BDEEHN
C[C@@H]1C[C@@H](O)CN(Cc2ccc(CC#N)cc2)C1	ZINC000335587902	384352437	/nfs/dbraw/zinc/35/24/37/384352437.db2.gz	AEPITFKEEDOKTO-IUODEOHRSA-N	0	3	244.338	1.955	10	30		BDEEHN
CO[C@H]1C[C@@H](CO)N(CCC(C)(C)C#N)C1	ZINC000309786460	384609288	/nfs/dbraw/zinc/60/92/88/384609288.db2.gz	SRUNWICONWDWFE-QWRGUYRKSA-N	0	3	226.320	1.008	10	30		BDEEHN
COCC(C)(C)CN[C@H]1CCC[C@H]1C#N	ZINC000309088912	385412615	/nfs/dbraw/zinc/41/26/15/385412615.db2.gz	CQIXBTCHFTYFMZ-QWRGUYRKSA-N	0	3	210.321	1.941	10	30		BDEEHN
CO[C@@H]1CC[C@@H](c2ccc(C#N)cc2)NC1	ZINC000584599207	385470713	/nfs/dbraw/zinc/47/07/13/385470713.db2.gz	UGNSEYXOGNAMLX-OLZOCXBDSA-N	0	3	216.284	1.998	10	30		BDEEHN
CC(C#N)C(=O)NC[C@@H]1C[C@@H](C)O[C@@H](C)C1	ZINC000343195756	386236918	/nfs/dbraw/zinc/23/69/18/386236918.db2.gz	RRRAUDDDNFDCQK-CHWFTXMASA-N	0	3	224.304	1.466	10	30		BDEEHN
C[C@H]1CC[C@H](O)CN1Cc1ccc(C#N)cc1	ZINC000399198788	386450793	/nfs/dbraw/zinc/45/07/93/386450793.db2.gz	MSJOOZBWMLTLDP-FZMZJTMJSA-N	0	3	230.311	1.903	10	30		BDEEHN
C#CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000575451291	386799075	/nfs/dbraw/zinc/79/90/75/386799075.db2.gz	SFUPMQBSFDUPMB-OCCSQVGLSA-N	0	3	242.322	1.399	10	30		BDEEHN
N#Cc1csc(CNCC2CC(O)C2)c1	ZINC000086573785	388690020	/nfs/dbraw/zinc/69/00/20/388690020.db2.gz	QTEJHNPSEJGZRI-UHFFFAOYSA-N	0	3	222.313	1.480	10	30		BDEEHN
C=C[C@](C)(CC)C(=O)N1CCN2CCC[C@H]2C1	ZINC000248868814	388696682	/nfs/dbraw/zinc/69/66/82/388696682.db2.gz	BIBMQOBFBWRRKH-GXTWGEPZSA-N	0	3	236.359	1.895	10	30		BDEEHN
C=CC1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1	ZINC000188549397	134528239	/nfs/dbraw/zinc/52/82/39/134528239.db2.gz	SAHDDFRDWUXJOM-WDEREUQCSA-N	0	3	226.295	1.111	10	30		BDEEHN
N#CCC[C@H](C#N)CN1CCCN(C2CC2)CC1	ZINC000246646954	134957470	/nfs/dbraw/zinc/95/74/70/134957470.db2.gz	YPPICZANBXAXFC-CYBMUJFWSA-N	0	3	246.358	1.600	10	30		BDEEHN
C#CCOc1ccc(CNC[C@@H](C)O)cc1OC	ZINC000045946083	166198847	/nfs/dbraw/zinc/19/88/47/166198847.db2.gz	AJMGVMBGDJKJJX-LLVKDONJSA-N	0	3	249.310	1.178	10	30		BDEEHN
CCN1CC[C@@H](NC(=O)c2cccc(C#N)c2)C1	ZINC000334578400	170011619	/nfs/dbraw/zinc/01/16/19/170011619.db2.gz	JFNWPJHGHDCYPY-CYBMUJFWSA-N	0	3	243.310	1.382	10	30		BDEEHN
CC[C@H](C)N[C@H](C(N)=O)c1cccc(C#N)c1	ZINC000038065163	171347676	/nfs/dbraw/zinc/34/76/76/171347676.db2.gz	OIUMCJNAHKVPGC-CABZTGNLSA-N	0	3	231.299	1.473	10	30		BDEEHN
CN(C)C(C)(C)CN[C@@H]1CCC[C@H]1C#N	ZINC000054827502	172396022	/nfs/dbraw/zinc/39/60/22/172396022.db2.gz	YNCSEHVEBNSQBH-WDEREUQCSA-N	0	3	209.337	1.608	10	30		BDEEHN
CN1CCC[C@@H](Nc2ncccc2C#N)C1	ZINC000042361714	173022760	/nfs/dbraw/zinc/02/27/60/173022760.db2.gz	ZMUDUINIAQZWIT-LLVKDONJSA-N	0	3	216.288	1.459	10	30		BDEEHN
CN1CCC[C@H](Nc2ncccc2C#N)C1	ZINC000042361709	173046474	/nfs/dbraw/zinc/04/64/74/173046474.db2.gz	ZMUDUINIAQZWIT-NSHDSACASA-N	0	3	216.288	1.459	10	30		BDEEHN
CN1CC[C@@H](NCc2cc(C#N)ccc2F)C1	ZINC000042547475	173124285	/nfs/dbraw/zinc/12/42/85/173124285.db2.gz	PPHQACKHGMKURY-GFCCVEGCSA-N	0	3	233.290	1.491	10	30		BDEEHN
COCCN(CC/C(N)=N/O)CCC(C)(C)C	ZINC000071227447	174288748	/nfs/dbraw/zinc/28/87/48/174288748.db2.gz	VARCFOWAQBFUME-UHFFFAOYSA-N	0	3	245.367	1.508	10	30		BDEEHN
C[C@H]1CCCN1C(=O)c1sccc1C#CCN	ZINC000104300344	177109588	/nfs/dbraw/zinc/10/95/88/177109588.db2.gz	MKOYHPYIMBSGMS-JTQLQIEISA-N	0	3	248.351	1.683	10	30		BDEEHN
C[C@H]1CN(Cc2cccc(C#CCN)c2)CCO1	ZINC000049608502	177263563	/nfs/dbraw/zinc/26/35/63/177263563.db2.gz	XWFIPEYOCRBNAL-ZDUSSCGKSA-N	0	3	244.338	1.218	10	30		BDEEHN
C[C@H](NCc1ccnc(C#N)c1)[C@@H]1CCCO1	ZINC000068752481	488128884	/nfs/dbraw/zinc/12/88/84/488128884.db2.gz	AKBBZGSXXFWADN-GWCFXTLKSA-N	0	3	231.299	1.610	10	30		BDEEHN
COCC#CCN1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000677820418	487518963	/nfs/dbraw/zinc/51/89/63/487518963.db2.gz	MRVMIFSBMVKRNA-KBPBESRZSA-N	0	3	237.343	1.263	10	30		BDEEHN
N#C[C@H]1CCC[C@@H]1NCCCCCCO	ZINC000236499634	632951721	/nfs/dbraw/zinc/95/17/21/632951721.db2.gz	NKJGGHMVOGOLCQ-NEPJUHHUSA-N	0	3	210.321	1.821	10	30		BDEEHN
N#C[C@@H]1CCC[C@H]1NCCCCCCO	ZINC000236498802	632953141	/nfs/dbraw/zinc/95/31/41/632953141.db2.gz	NKJGGHMVOGOLCQ-NWDGAFQWSA-N	0	3	210.321	1.821	10	30		BDEEHN
N#C[C@H]1CCCC[C@@H]1NC1CCS(=O)CC1	ZINC000229193619	640931413	/nfs/dbraw/zinc/93/14/13/640931413.db2.gz	HVANLRAOYVGZMC-ZWRZFFQRSA-N	0	3	240.372	1.569	10	30		BDEEHN
C=C(Cl)CN1C[C@@H]2CC[C@@H](O)C[C@@H]2C1	ZINC000306766622	642347746	/nfs/dbraw/zinc/34/77/46/642347746.db2.gz	BNARTDHUJKFMJH-HBNTYKKESA-N	0	3	215.724	1.832	10	30		BDEEHN
CC(C)C[C@H](N)C#CC(=O)OC(C)(C)C	ZINC000685954310	538899345	/nfs/dbraw/zinc/89/93/45/538899345.db2.gz	VAAJCKHOABVSRG-SNVBAGLBSA-N	0	3	211.305	1.705	10	30		BDEEHN
CC(C#N)C(=O)N[C@@H](C)c1nccs1	ZINC000070732781	361744025	/nfs/dbraw/zinc/74/40/25/361744025.db2.gz	HHKWKHMJXPPZTD-RQJHMYQMSA-N	0	3	209.274	1.480	10	30		BDEEHN
C=CCCOCCNC(=O)[C@H](N)[C@H](C)CC	ZINC000182816394	136228556	/nfs/dbraw/zinc/22/85/56/136228556.db2.gz	NIKYEASSRVVTCE-GHMZBOCLSA-N	0	3	228.336	1.069	10	30		BDEEHN
CC(C)(C=O)CN1CCO[C@H]2CCC[C@@H]21	ZINC000051178424	343622848	/nfs/dbraw/zinc/62/28/48/343622848.db2.gz	DDFDBWSKBIQVEQ-QWRGUYRKSA-N	0	3	211.305	1.465	10	30		BDEEHN
C#CCN[C@H](C)c1ccc(O)c(OC)c1	ZINC000019875581	166192632	/nfs/dbraw/zinc/19/26/32/166192632.db2.gz	IFXJBHOEKHIZCU-SECBINFHSA-N	0	3	205.257	1.685	10	30		BDEEHN
C#CCC[C@@H](N)c1ncncc1Br	ZINC000306455315	343782771	/nfs/dbraw/zinc/78/27/71/343782771.db2.gz	OFKMYUZKZMMSGY-MRVPVSSYSA-N	0	3	240.104	1.652	10	30		BDEEHN
C#CCn1nc(-c2ccncc2)cc1CNC	ZINC000409444030	343863790	/nfs/dbraw/zinc/86/37/90/343863790.db2.gz	ZAUQGGGLSIPKAH-UHFFFAOYSA-N	0	3	226.283	1.298	10	30		BDEEHN
CNC(=N)Nc1cc(F)cc(F)c1F	ZINC000061123224	344857441	/nfs/dbraw/zinc/85/74/41/344857441.db2.gz	ANAWADORTYBTPJ-UHFFFAOYSA-N	0	3	203.167	1.270	10	30		BDEEHN
N#Cc1cc(OC(F)(F)F)c(CN)cn1	ZINC000238692589	344935728	/nfs/dbraw/zinc/93/57/28/344935728.db2.gz	CXVIYVATQJGEMX-UHFFFAOYSA-N	0	3	217.150	1.311	10	30		BDEEHN
CCN1CC[C@@H](Nc2ncccc2C#N)C1	ZINC000389398167	345931558	/nfs/dbraw/zinc/93/15/58/345931558.db2.gz	KCVQUQFPZISRLE-LLVKDONJSA-N	0	3	216.288	1.459	10	30		BDEEHN
CO[C@@H]1C[C@H](CO)N(Cc2cccc(C#N)c2)C1	ZINC000311155119	537919060	/nfs/dbraw/zinc/91/90/60/537919060.db2.gz	WZVDKDCVSQWQPS-ZIAGYGMSSA-N	0	3	246.310	1.140	10	30		BDEEHN
C#C[C@@H](NCc1cnn(C)c1C)C(C)C	ZINC000289573560	345918614	/nfs/dbraw/zinc/91/86/14/345918614.db2.gz	SSTOFLKBJVUROL-GFCCVEGCSA-N	0	3	205.305	1.476	10	30		BDEEHN
CCN(CC)CC#CCNc1csc(=O)[nH]1	ZINC000150054093	346167077	/nfs/dbraw/zinc/16/70/77/346167077.db2.gz	ZHLFLFHWRMWVMH-UHFFFAOYSA-N	0	3	239.344	1.187	10	30		BDEEHN
CNC(=NN)Nc1ccc(C)c(Cl)c1	ZINC000164614573	346612870	/nfs/dbraw/zinc/61/28/70/346612870.db2.gz	WXOAOONLPXUCOP-UHFFFAOYSA-N	0	3	212.684	1.509	10	30		BDEEHN
C[C@H]1CN2CCCC[C@H]2CN1CCC=O	ZINC000251747585	362905259	/nfs/dbraw/zinc/90/52/59/362905259.db2.gz	LDVFOUNGXSOFMW-RYUDHWBXSA-N	0	3	210.321	1.134	10	30		BDEEHN
CC(C)(O)CCN[C@H]1CCCC[C@H]1C#N	ZINC000309019357	349304631	/nfs/dbraw/zinc/30/46/31/349304631.db2.gz	SUXKOPBFWCEWSN-QWRGUYRKSA-N	0	3	210.321	1.819	10	30		BDEEHN
Cc1c(CNCC2(CC#N)CC2)cnn1C	ZINC000226384039	350425736	/nfs/dbraw/zinc/42/57/36/350425736.db2.gz	LMXAPSMIPNJLAC-UHFFFAOYSA-N	0	3	218.304	1.512	10	30		BDEEHN
CC(C#N)C(=O)N1CCC[C@H]1c1cnn(C)c1	ZINC000336714636	351104464	/nfs/dbraw/zinc/10/44/64/351104464.db2.gz	PFACNASKCXMAGY-ONGXEEELSA-N	0	3	232.287	1.243	10	30		BDEEHN
CCN1CCN[C@@H](c2ccc(C#N)cc2)C1	ZINC000616632121	351110126	/nfs/dbraw/zinc/11/01/26/351110126.db2.gz	LXXPZPIVIAYBOE-CYBMUJFWSA-N	0	3	215.300	1.524	10	30		BDEEHN
CN1CCN[C@@H](c2ccc(C#N)cc2)C1	ZINC000616632321	351111200	/nfs/dbraw/zinc/11/12/00/351111200.db2.gz	MPQJNNDSIBHBTR-GFCCVEGCSA-N	0	3	201.273	1.134	10	30		BDEEHN
NCc1ccc(Br)cc1/C(N)=N/O	ZINC000306814382	351083567	/nfs/dbraw/zinc/08/35/67/351083567.db2.gz	BRNOFSUVMYXQQO-UHFFFAOYSA-N	0	3	244.092	1.002	10	30		BDEEHN
C=CCNC[C@H](O)c1ccc2c(c1)OCCO2	ZINC000033465346	188060634	/nfs/dbraw/zinc/06/06/34/188060634.db2.gz	IOVWVKRQIHZQCV-NSHDSACASA-N	0	3	235.283	1.267	10	30		BDEEHN
C=CCNC[C@@H](O)COc1cc(C)ccc1C	ZINC000033465468	188060959	/nfs/dbraw/zinc/06/09/59/188060959.db2.gz	MYIJZTRLYXHQMA-CYBMUJFWSA-N	0	3	235.327	1.819	10	30		BDEEHN
C#CCN1CCC[C@@H]1Cn1ccnc1C	ZINC000178300527	188081319	/nfs/dbraw/zinc/08/13/19/188081319.db2.gz	LSFIZTAQLCDNDM-GFCCVEGCSA-N	0	3	203.289	1.289	10	30		BDEEHN
CC(C)[C@H](N)C(=O)Nc1ccccc1C#N	ZINC000011959138	188105128	/nfs/dbraw/zinc/10/51/28/188105128.db2.gz	LGVDYHVDSKTITO-NSHDSACASA-N	0	3	217.272	1.480	10	30		BDEEHN
N#CCCNC(=O)CN[C@@H]1CCc2ccccc21	ZINC000035180626	188111828	/nfs/dbraw/zinc/11/18/28/188111828.db2.gz	POPBFOKNXDULTM-CYBMUJFWSA-N	0	3	243.310	1.293	10	30		BDEEHN
N#CCc1ccc(OCCN2CC[C@H](O)C2)cc1	ZINC000061710403	188128550	/nfs/dbraw/zinc/12/85/50/188128550.db2.gz	CVVSOAKHGDBFCB-ZDUSSCGKSA-N	0	3	246.310	1.198	10	30		BDEEHN
C#CCN(C)[C@@H](C)Cc1cccc(O)c1	ZINC000013492361	188166258	/nfs/dbraw/zinc/16/62/58/188166258.db2.gz	RMJOYWZEWBHBGZ-NSHDSACASA-N	0	3	203.285	1.888	10	30		BDEEHN
CC(C)(CO)N[C@@H]1CCCCC[C@@H]1C#N	ZINC000054825061	188178650	/nfs/dbraw/zinc/17/86/50/188178650.db2.gz	LFRBAEJEEYBUIP-GHMZBOCLSA-N	0	3	210.321	1.819	10	30		BDEEHN
CN(C)Cc1ccc(-c2nc(C#N)c[nH]2)o1	ZINC000026979887	188179858	/nfs/dbraw/zinc/17/98/58/188179858.db2.gz	CQKBECWVEHMVHI-UHFFFAOYSA-N	0	3	216.244	1.603	10	30		BDEEHN
N#CC(Cc1ccccc1)C(=O)NC1CC1	ZINC000044808794	181055626	/nfs/dbraw/zinc/05/56/26/181055626.db2.gz	SVFIOFXBJRTBKH-LLVKDONJSA-N	0	3	214.268	1.647	10	30		BDEEHN
N#C[C@H]1CCCC[C@@H]1NCCn1ccnc1	ZINC000054826390	181067822	/nfs/dbraw/zinc/06/78/22/181067822.db2.gz	XCORIUIFWXNTHW-NEPJUHHUSA-N	0	3	218.304	1.555	10	30		BDEEHN
N#Cc1ccc(CN2CC[C@@H](CCO)C2)cc1F	ZINC000361827476	181106071	/nfs/dbraw/zinc/10/60/71/181106071.db2.gz	CKHYFFRKPUYVMP-NSHDSACASA-N	0	3	248.301	1.902	10	30		BDEEHN
N#Cc1ccccc1CNC[C@H]1CCOC1	ZINC000038094094	181144898	/nfs/dbraw/zinc/14/48/98/181144898.db2.gz	OLPPKMCFXUDMCT-LLVKDONJSA-N	0	3	216.284	1.684	10	30		BDEEHN
N#CCC1(CN2CCN3CCCC[C@H]3C2)CC1	ZINC000094439497	357510817	/nfs/dbraw/zinc/51/08/17/357510817.db2.gz	UUWUWJNNGMISNG-ZDUSSCGKSA-N	0	3	233.359	1.850	10	30		BDEEHN
C=CCN(CCOC)C(=O)[C@@H](CCC)N(C)C	ZINC000191969874	357807991	/nfs/dbraw/zinc/80/79/91/357807991.db2.gz	APTZYEKYXJFFRY-GFCCVEGCSA-N	0	3	242.363	1.378	10	30		BDEEHN
N=C(N)NN=Cc1ccccc1C(F)(F)F	ZINC000006438450	181322904	/nfs/dbraw/zinc/32/29/04/181322904.db2.gz	KTAIFQOKKAMUDS-WCSRMQSCSA-N	0	3	230.193	1.313	10	30		BDEEHN
NCC#Cc1ccc(COC[C@@H]2CCCO2)cc1	ZINC000049610787	181346602	/nfs/dbraw/zinc/34/66/02/181346602.db2.gz	LUAFHUIMEXUQSO-HNNXBMFYSA-N	0	3	245.322	1.692	10	30		BDEEHN
CCc1nc(C#N)cc(N[C@H]2CCN(CC)C2)n1	ZINC000308167196	370106175	/nfs/dbraw/zinc/10/61/75/370106175.db2.gz	KONZEDMQXCACLK-JTQLQIEISA-N	0	3	245.330	1.417	10	30		BDEEHN
N#Cc1cc(Cl)nc(N2CCNCC2)c1	ZINC000215558038	371579712	/nfs/dbraw/zinc/57/97/12/371579712.db2.gz	JBFQPVSRSFTTDM-UHFFFAOYSA-N	0	3	222.679	1.016	10	30		BDEEHN
CC(C)(C=O)CN1CCO[C@@H]2CCC[C@H]21	ZINC000227020661	371768617	/nfs/dbraw/zinc/76/86/17/371768617.db2.gz	DDFDBWSKBIQVEQ-GHMZBOCLSA-N	0	3	211.305	1.465	10	30		BDEEHN
CC(C)(N)C#Cc1ccc(Br)cn1	ZINC000143622416	374232548	/nfs/dbraw/zinc/23/25/48/374232548.db2.gz	ITLODPLYIZLDGT-UHFFFAOYSA-N	0	3	239.116	1.933	10	30		BDEEHN
CCCC[C@H](N)C(=O)N(CCC#N)CCC#N	ZINC000037825566	169005396	/nfs/dbraw/zinc/00/53/96/169005396.db2.gz	IROLYOUHPUMEKY-NSHDSACASA-N	0	3	236.319	1.160	10	30		BDEEHN
CCCNCC(=O)N(C)c1cccc(C#N)c1	ZINC000061980839	169255713	/nfs/dbraw/zinc/25/57/13/169255713.db2.gz	LOQUERVEDNFTLN-UHFFFAOYSA-N	0	3	231.299	1.521	10	30		BDEEHN
CCCNC(=O)Nc1ccc(C#CCN)cc1F	ZINC000037552799	169239430	/nfs/dbraw/zinc/23/94/30/169239430.db2.gz	GTAHRWYTOPLQFR-UHFFFAOYSA-N	0	3	249.289	1.667	10	30		BDEEHN
CCCNC(=O)c1cc(C#CCN)ccc1F	ZINC000037569781	169249578	/nfs/dbraw/zinc/24/95/78/169249578.db2.gz	KMHLSWPBBMUIOF-UHFFFAOYSA-N	0	3	234.274	1.276	10	30		BDEEHN
C=CC[C@H](C)NCc1c(C)nn(C)c1OC	ZINC000116927208	383952372	/nfs/dbraw/zinc/95/23/72/383952372.db2.gz	DQWAWGVXPIMOFY-VIFPVBQESA-N	0	3	223.320	1.791	10	30		BDEEHN
C#CCCCNC(=O)N1CCCN(C2CC2)CC1	ZINC000173332675	533037298	/nfs/dbraw/zinc/03/72/98/533037298.db2.gz	UXPYHUZDKFLSJD-UHFFFAOYSA-N	0	3	249.358	1.280	10	30		BDEEHN
C#CCCN1C[C@@H]2CCCCN2C[C@@H]1C	ZINC000227362385	533056596	/nfs/dbraw/zinc/05/65/96/533056596.db2.gz	IDNLSZMKGIEZBL-STQMWFEESA-N	0	3	206.333	1.568	10	30		BDEEHN
CC#CCN1C[C@@H](c2ccsc2)[C@H](CO)C1	ZINC000188109922	384359616	/nfs/dbraw/zinc/35/96/16/384359616.db2.gz	CFYFYYZEZRZQPB-STQMWFEESA-N	0	3	235.352	1.779	10	30		BDEEHN
CO[C@@H]1C[C@@H](CO)N(CCC(C)(C)C#N)C1	ZINC000309786461	384609706	/nfs/dbraw/zinc/60/97/06/384609706.db2.gz	SRUNWICONWDWFE-WDEREUQCSA-N	0	3	226.320	1.008	10	30		BDEEHN
CN1CCC(N[C@@H]2CCC[C@H]2C#N)CC1	ZINC000054824963	385664307	/nfs/dbraw/zinc/66/43/07/385664307.db2.gz	QWVZBXKWRXAFFB-CMPLNLGQSA-N	0	3	207.321	1.362	10	30		BDEEHN
C#CC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000575595710	386377130	/nfs/dbraw/zinc/37/71/30/386377130.db2.gz	UHIOMDHOFVKLAC-OAHLLOKOSA-N	0	3	242.322	1.400	10	30		BDEEHN
C[C@H]1CC[C@@H](O)CN1Cc1ccc(C#N)cc1	ZINC000399198793	386450250	/nfs/dbraw/zinc/45/02/50/386450250.db2.gz	MSJOOZBWMLTLDP-SMDDNHRTSA-N	0	3	230.311	1.903	10	30		BDEEHN
C=C(C)[C@@H](N)c1c(Br)cnn1C	ZINC000575483004	387186193	/nfs/dbraw/zinc/18/61/93/387186193.db2.gz	NCTFXAUHDCBPND-SSDOTTSWSA-N	0	3	230.109	1.759	10	30		BDEEHN
CC(C)[C@@H](C)NC(=O)[C@H](N)CCCC#N	ZINC000424071688	387476361	/nfs/dbraw/zinc/47/63/61/387476361.db2.gz	BUNGXMGEPFNYBR-NXEZZACHSA-N	0	3	211.309	1.168	10	30		BDEEHN
CC(C#N)C(=O)N[C@H]1CCOc2ccccc21	ZINC000051987853	387801243	/nfs/dbraw/zinc/80/12/43/387801243.db2.gz	QPEIMGMLRVOJCM-ONGXEEELSA-N	0	3	230.267	1.786	10	30		BDEEHN
C=CCN1CCC[C@H](Cc2noc(C)n2)C1	ZINC000195518173	387921459	/nfs/dbraw/zinc/92/14/59/387921459.db2.gz	GUEMKIABHADZBS-LLVKDONJSA-N	0	3	221.304	1.819	10	30		BDEEHN
C#CCN1CC[C@@H](CNc2cccc(C)n2)C1	ZINC000195516152	387921784	/nfs/dbraw/zinc/92/17/84/387921784.db2.gz	AJLYIYGZTIIUIJ-ZDUSSCGKSA-N	0	3	229.327	1.757	10	30		BDEEHN
N#Cc1cc(CN2CCC[C@@H]2CCCO)ccn1	ZINC000068760603	388716888	/nfs/dbraw/zinc/71/68/88/388716888.db2.gz	OHURWOHJMCCYMW-CQSZACIVSA-N	0	3	245.326	1.690	10	30		BDEEHN
N#Cc1ccc(N2CCN3CCC[C@@H]3C2)c(F)c1	ZINC000096474803	388820509	/nfs/dbraw/zinc/82/05/09/388820509.db2.gz	QAVMZNPHXVXASU-GFCCVEGCSA-N	0	3	245.301	1.982	10	30		BDEEHN
C=CCN1CCN2C[C@H]1Cc1ccc(N)cc12	ZINC000027846446	132267062	/nfs/dbraw/zinc/26/70/62/132267062.db2.gz	BQODMLOJIJEJTH-CYBMUJFWSA-N	0	3	229.327	1.502	10	30		BDEEHN
CC#CCN1CCN(CCOCC)[C@@H](CC)C1	ZINC000119175710	134225491	/nfs/dbraw/zinc/22/54/91/134225491.db2.gz	SWPFHYRXZMSOMX-AWEZNQCLSA-N	0	3	238.375	1.442	10	30		BDEEHN
N#CCCN1CCC[C@@H]1[C@H]1CCCC[C@@H]1O	ZINC000337273395	135009899	/nfs/dbraw/zinc/00/98/99/135009899.db2.gz	CRSLVKIMANTPJJ-UPJWGTAASA-N	0	3	222.332	1.916	10	30		BDEEHN
C[C@H](N[C@@H]1CCC[C@H]1C#N)[C@@H]1CCOC1	ZINC000252933650	135117919	/nfs/dbraw/zinc/11/79/19/135117919.db2.gz	DAQQDFWQKFIDLE-NNYUYHANSA-N	0	3	208.305	1.693	10	30		BDEEHN
CNCC(=O)Nc1sc(C)c(C)c1C#N	ZINC000040415541	173334758	/nfs/dbraw/zinc/33/47/58/173334758.db2.gz	OHXQDCIJGIYSIE-UHFFFAOYSA-N	0	3	223.301	1.395	10	30		BDEEHN
C#CCNC[C@@H](C)n1nc(C)c(C)c1C	ZINC000053540247	166187754	/nfs/dbraw/zinc/18/77/54/166187754.db2.gz	XSNRJOBPDDPHNL-SECBINFHSA-N	0	3	205.305	1.592	10	30		BDEEHN
C=CCN1C[C@@H]2CN(Cc3ccoc3)C[C@@H]2C1=O	ZINC000096245006	166361744	/nfs/dbraw/zinc/36/17/44/166361744.db2.gz	MQLNFGMEHAHDPF-STQMWFEESA-N	0	3	246.310	1.356	10	30		BDEEHN
C=CCNC(=O)[C@@H](C)NCCc1ccccc1	ZINC000020312985	166382386	/nfs/dbraw/zinc/38/23/86/166382386.db2.gz	PVSBCOIOKUNEGM-GFCCVEGCSA-N	0	3	232.327	1.509	10	30		BDEEHN
C=CCOc1ccc(CN(C)C(=O)[C@H](C)N)cc1	ZINC000037798810	166423911	/nfs/dbraw/zinc/42/39/11/166423911.db2.gz	KGZYKFLJLWOXMI-NSHDSACASA-N	0	3	248.326	1.557	10	30		BDEEHN
CC(C)NC(=O)Nc1cccc(C#CCN)c1	ZINC000037552775	167078889	/nfs/dbraw/zinc/07/88/89/167078889.db2.gz	ZLFKOJZOAZYAJZ-UHFFFAOYSA-N	0	3	231.299	1.527	10	30		BDEEHN
N#Cc1ccc([C@@H]2CCOCCN2)cc1	ZINC000616658615	411412951	/nfs/dbraw/zinc/41/29/51/411412951.db2.gz	HVLAIAHERIJHRR-LBPRGKRZSA-N	0	3	202.257	1.609	10	30		BDEEHN
CCNC(=O)N[C@@H](C)c1ccc(C#CCN)cc1	ZINC000049587406	170082262	/nfs/dbraw/zinc/08/22/62/170082262.db2.gz	IPGJTNIPOUFKSW-NSHDSACASA-N	0	3	245.326	1.377	10	30		BDEEHN
CCNCc1nccn1Cc1ccc(C#N)cc1	ZINC000051004711	170132102	/nfs/dbraw/zinc/13/21/02/170132102.db2.gz	SPFGFVYHSSYJDA-UHFFFAOYSA-N	0	3	240.310	1.913	10	30		BDEEHN
CCOC(=O)CCNCc1ccc(C#N)cc1	ZINC000037749187	170209149	/nfs/dbraw/zinc/20/91/49/170209149.db2.gz	MHZJQVODVPJMPU-UHFFFAOYSA-N	0	3	232.283	1.601	10	30		BDEEHN
CC[C@H](C)CNC(=O)c1ccc(C#CCN)cc1	ZINC000054491015	171283953	/nfs/dbraw/zinc/28/39/53/171283953.db2.gz	QSUUBWBOSBNDIP-LBPRGKRZSA-N	0	3	244.338	1.773	10	30		BDEEHN
CC[C@H](C)[C@H](N)C(=O)Nc1sccc1C#N	ZINC000040851970	171396965	/nfs/dbraw/zinc/39/69/65/171396965.db2.gz	DFLUJNUMVNVDHM-CBAPKCEASA-N	0	3	237.328	1.932	10	30		BDEEHN
C=CC[C@@H]1CCCN(C(=O)[C@H]2C[C@H](F)CN2)C1	ZINC000662634183	412250913	/nfs/dbraw/zinc/25/09/13/412250913.db2.gz	DTBRXUWFTXMPJB-GRYCIOLGSA-N	0	3	240.322	1.501	10	30		BDEEHN
CN1CC[C@@H](Nc2ccnc(C#N)c2)C1	ZINC000061811947	173125040	/nfs/dbraw/zinc/12/50/40/173125040.db2.gz	CCBJQTZQIBSNOA-SNVBAGLBSA-N	0	3	202.261	1.069	10	30		BDEEHN
COc1ccc2ccnc(NC(=N)N)c2c1	ZINC000026970736	175226745	/nfs/dbraw/zinc/22/67/45/175226745.db2.gz	SQXJLGAGQJBYPB-UHFFFAOYSA-N	0	3	216.244	1.148	10	30		BDEEHN
COc1ccccc1C1(C#N)CCNCC1	ZINC000059792160	175320205	/nfs/dbraw/zinc/32/02/05/175320205.db2.gz	NAXXNQMTMBJFAG-UHFFFAOYSA-N	0	3	216.284	1.840	10	30		BDEEHN
C[C@@H]1CCCC[C@]1(C#N)NCCN(C)C	ZINC000037940682	176090293	/nfs/dbraw/zinc/09/02/93/176090293.db2.gz	GYWXDRQTJQPXJA-VXGBXAGGSA-N	0	3	209.337	1.610	10	30		BDEEHN
C[C@H](C1CC1)N(C)CC(=O)N(C)CCC#N	ZINC000035207650	176593029	/nfs/dbraw/zinc/59/30/29/176593029.db2.gz	ZAWIXRIBELHCAA-SNVBAGLBSA-N	0	3	223.320	1.089	10	30		BDEEHN
C[C@H](S)[C@H]1NCCc2ccc(N)cc21	ZINC000075751997	177025974	/nfs/dbraw/zinc/02/59/74/177025974.db2.gz	JAEUJKOIFWFDGX-WRWORJQWSA-N	0	3	208.330	1.774	10	30		BDEEHN
C[C@H]1CCCN1C(=O)c1ccc(C#CCN)cc1	ZINC000037912566	177108087	/nfs/dbraw/zinc/10/80/87/177108087.db2.gz	GZGSBEKGDNLTHI-LBPRGKRZSA-N	0	3	242.322	1.621	10	30		BDEEHN
O=C1CCCN1CCCC#CCN1CCCC1	ZINC000003634898	488039435	/nfs/dbraw/zinc/03/94/35/488039435.db2.gz	GZELMCLVSWRIOP-UHFFFAOYSA-N	0	3	234.343	1.488	10	30		BDEEHN
N#C[C@@H]1CCCC[C@H]1NC[C@@H](O)C1CC1	ZINC000221514263	592430805	/nfs/dbraw/zinc/43/08/05/592430805.db2.gz	ICSJQYCILJBCES-QJPTWQEYSA-N	0	3	208.305	1.429	10	30		BDEEHN
C#CCCCNC(=O)[C@H](CCC)N(C)C	ZINC000179467937	642718387	/nfs/dbraw/zinc/71/83/87/642718387.db2.gz	FGFFYFFVYLHUSV-NSHDSACASA-N	0	3	210.321	1.246	10	30		BDEEHN
N#C[C@H]1CCC[C@H]1NCC1(O)CCCCC1	ZINC000083466397	643454795	/nfs/dbraw/zinc/45/47/95/643454795.db2.gz	MHBPMDJBKQQRHQ-VXGBXAGGSA-N	0	3	222.332	1.963	10	30		BDEEHN
C[C@@H](NCCCC(C)(C)C#N)c1cn(C)nn1	ZINC000720596785	712856708	/nfs/dbraw/zinc/85/67/08/712856708.db2.gz	UOCGKFUXQMCLMU-SNVBAGLBSA-N	0	3	235.335	1.796	10	30		BDEEHN
CC[C@H](C)[C@H](N)C#CC(=O)OC(C)(C)C	ZINC000685953427	538898089	/nfs/dbraw/zinc/89/80/89/538898089.db2.gz	MKVHKXDMVNIYON-VHSXEESVSA-N	0	3	211.305	1.705	10	30		BDEEHN
CCC(C=O)(CC)CN1CCN(C2CC2)CC1	ZINC000051204878	168311593	/nfs/dbraw/zinc/31/15/93/168311593.db2.gz	ODMBGYROKGNCJH-UHFFFAOYSA-N	0	3	238.375	1.772	10	30		BDEEHN
N#CCCCN1CCC(Cn2cccn2)CC1	ZINC000105886493	136212267	/nfs/dbraw/zinc/21/22/67/136212267.db2.gz	SQILDJCVTCKMAY-UHFFFAOYSA-N	0	3	232.331	1.899	10	30		BDEEHN
Cc1cc(NN)nc(Nc2ccc(C#N)cc2)n1	ZINC000057331366	178176557	/nfs/dbraw/zinc/17/65/57/178176557.db2.gz	PQGMHDZRMBEXJX-UHFFFAOYSA-N	0	3	240.270	1.108	10	30		BDEEHN
Cc1ccc(C#N)cc1NC(=O)[C@@H](C)N	ZINC000050430434	178367706	/nfs/dbraw/zinc/36/77/06/178367706.db2.gz	BXWKNXDEBHGOTB-MRVPVSSYSA-N	0	3	203.245	1.152	10	30		BDEEHN
N#Cc1ccc([C@H]2CCN(CCO)C2)cc1	ZINC000616613049	349604458	/nfs/dbraw/zinc/60/44/58/349604458.db2.gz	HPAWQBGZXSRUGX-ZDUSSCGKSA-N	0	3	216.284	1.340	10	30		BDEEHN
CCNC(=NN)c1cccc(Br)c1	ZINC000042035633	361926910	/nfs/dbraw/zinc/92/69/10/361926910.db2.gz	IFZQIDHFDQLSFY-UHFFFAOYSA-N	0	3	242.120	1.679	10	30		BDEEHN
CC#CCCN1CCN(C[C@H](C)O)[C@H](CC)C1	ZINC000248395971	323018247	/nfs/dbraw/zinc/01/82/47/323018247.db2.gz	PJPDASAXSAIXLE-UONOGXRCSA-N	0	3	238.375	1.177	10	30		BDEEHN
CCOCCN1[C@H](C)CC(C=O)C[C@H]1C	ZINC000584883641	343086746	/nfs/dbraw/zinc/08/67/46/343086746.db2.gz	XVGZFUDRTPXSPD-GHMZBOCLSA-N	0	3	213.321	1.711	10	30		BDEEHN
CNC(=NN)c1ccc(Br)c(F)c1	ZINC000043578211	343211020	/nfs/dbraw/zinc/21/10/20/343211020.db2.gz	SAXPUCVGVCVYKT-UHFFFAOYSA-N	0	3	246.083	1.428	10	30		BDEEHN
CCN1CC[C@@H](Nc2nc(C)ccc2C#N)C1	ZINC000389216731	343520151	/nfs/dbraw/zinc/52/01/51/343520151.db2.gz	DCWOXXRHHRRBAY-GFCCVEGCSA-N	0	3	230.315	1.768	10	30		BDEEHN
CCN1CC[C@H](Nc2nccc(C)c2C#N)C1	ZINC000389234190	343624352	/nfs/dbraw/zinc/62/43/52/343624352.db2.gz	JGBNLPBRHYLZPM-NSHDSACASA-N	0	3	230.315	1.768	10	30		BDEEHN
C#CCn1nc(-c2cccs2)cc1CNC	ZINC000409443067	343865718	/nfs/dbraw/zinc/86/57/18/343865718.db2.gz	GLJRTHAXOIWGAF-UHFFFAOYSA-N	0	3	231.324	1.964	10	30		BDEEHN
N#Cc1ccc(CNCC[C@@H]2CCCO2)o1	ZINC000135481764	344466525	/nfs/dbraw/zinc/46/65/25/344466525.db2.gz	KUQYWDJDMHPGFA-JTQLQIEISA-N	0	3	220.272	1.810	10	30		BDEEHN
CC(C)=CC(=O)[C@H]1CN(C)CCCN1C	ZINC000132259612	345323733	/nfs/dbraw/zinc/32/37/33/345323733.db2.gz	JOJCNPNREWCANP-LLVKDONJSA-N	0	3	210.321	1.158	10	30		BDEEHN
C[C@@H]1OCC[C@@H]1CN[C@H]1CCC[C@H]1C#N	ZINC000300383355	345809515	/nfs/dbraw/zinc/80/95/15/345809515.db2.gz	OWOUPIUTUHXUJH-YFKTTZPYSA-N	0	3	208.305	1.693	10	30		BDEEHN
CNC(=NN)Nc1ccccc1Br	ZINC000164625259	346613387	/nfs/dbraw/zinc/61/33/87/346613387.db2.gz	TXJPIUKKZNNWSQ-UHFFFAOYSA-N	0	3	243.108	1.310	10	30		BDEEHN
C[C@H](CCC#N)N1CC[C@@H](N2CCOCC2)C1	ZINC000593014328	347844436	/nfs/dbraw/zinc/84/44/36/347844436.db2.gz	IPDPAXXBILPXPM-CHWSQXEVSA-N	0	3	237.347	1.085	10	30		BDEEHN
N#Cc1ccc(CNC2CC(CO)C2)cc1F	ZINC000595000016	348168632	/nfs/dbraw/zinc/16/86/32/348168632.db2.gz	ATYKJXBOEOQNNH-UHFFFAOYSA-N	0	3	234.274	1.558	10	30		BDEEHN
N#Cc1cc2c(nc1N)CCN(CC1CC1)C2	ZINC000725245492	538000556	/nfs/dbraw/zinc/00/05/56/538000556.db2.gz	JCPORVKRFXGJIN-UHFFFAOYSA-N	0	3	228.299	1.304	10	30		BDEEHN
CN1CCC[C@H]1CN1CC[C@](C)(C#N)C1	ZINC000595842933	348379972	/nfs/dbraw/zinc/37/99/72/348379972.db2.gz	WNEIRTGRSLLCKX-NWDGAFQWSA-N	0	3	207.321	1.316	10	30		BDEEHN
C[C@@]1(C#N)CCN(C(=O)[C@@]2(C)CCCCN2)C1	ZINC000595979682	348414319	/nfs/dbraw/zinc/41/43/19/348414319.db2.gz	CIKSVFYIDVVWPF-QWHCGFSZSA-N	0	3	235.331	1.281	10	30		BDEEHN
CC(=NNC(=N)N)c1occc1Br	ZINC000306822008	351129641	/nfs/dbraw/zinc/12/96/41/351129641.db2.gz	LYWAVCNQKLIUBF-WCIBSUBMSA-N	0	3	245.080	1.249	10	30		BDEEHN
CN1CCNC[C@@H]1c1cccc(C#N)c1	ZINC000616637689	351134936	/nfs/dbraw/zinc/13/49/36/351134936.db2.gz	QHAUSGBWUPRTHW-GFCCVEGCSA-N	0	3	201.273	1.134	10	30		BDEEHN
CCN1CCC[C@@H](NC(=O)C2(C#N)CCC2)C1	ZINC000083798265	351944959	/nfs/dbraw/zinc/94/49/59/351944959.db2.gz	MWQXHVGXFBXCCZ-LLVKDONJSA-N	0	3	235.331	1.281	10	30		BDEEHN
C=CC(C)(C)CCNC(=O)[C@@H](N)CCC	ZINC000638455023	352265547	/nfs/dbraw/zinc/26/55/47/352265547.db2.gz	PBKQHSMATCSBCZ-JTQLQIEISA-N	0	3	212.337	1.832	10	30		BDEEHN
COC(=O)[C@@H]1CCCN([C@H](C)CCC#N)C1	ZINC000411217097	191171860	/nfs/dbraw/zinc/17/18/60/191171860.db2.gz	LGBAMRARDIFQQX-GHMZBOCLSA-N	0	3	224.304	1.564	10	30		BDEEHN
CCN(CC)CC#CCN1C(=O)CC[C@H]1C	ZINC000027761909	188059511	/nfs/dbraw/zinc/05/95/11/188059511.db2.gz	JAQGGIPGDYWRJW-GFCCVEGCSA-N	0	3	222.332	1.343	10	30		BDEEHN
C=CCNC[C@@H](O)COc1cc(C)cc(C)c1	ZINC000033465472	188060301	/nfs/dbraw/zinc/06/03/01/188060301.db2.gz	OTQPZWFYRWYSKF-CYBMUJFWSA-N	0	3	235.327	1.819	10	30		BDEEHN
C=CCCC(=O)N1CCN2CCC[C@@H]2C1	ZINC000171089973	188080338	/nfs/dbraw/zinc/08/03/38/188080338.db2.gz	RPIGEKWDRHYXIR-LLVKDONJSA-N	0	3	208.305	1.259	10	30		BDEEHN
Cc1ccc(C#N)c(=O)n1CCN1CCCCC1	ZINC000041605316	188119459	/nfs/dbraw/zinc/11/94/59/188119459.db2.gz	LSHUOTZWJYKVIG-UHFFFAOYSA-N	0	3	245.326	1.514	10	30		BDEEHN
N#Cc1ccnc([S@@](=O)C[C@@H]2CCCCN2)c1	ZINC000095073468	188145604	/nfs/dbraw/zinc/14/56/04/188145604.db2.gz	JSNSJYDNJBCRIS-APPDUMDISA-N	0	3	249.339	1.203	10	30		BDEEHN
Cc1nn(Cc2cccnc2C#N)c(C)c1CN	ZINC000061659602	188128534	/nfs/dbraw/zinc/12/85/34/188128534.db2.gz	QWPDNPGRRRTBSK-UHFFFAOYSA-N	0	3	241.298	1.274	10	30		BDEEHN
CC(C)[C@H](C)NC(=O)c1cncc(C#CCN)c1	ZINC000049629474	188218417	/nfs/dbraw/zinc/21/84/17/188218417.db2.gz	KNBPQMJBUVWLSC-NSHDSACASA-N	0	3	245.326	1.166	10	30		BDEEHN
N#CC1(NC2CCCCCC2)CCNCC1	ZINC000040695236	181030365	/nfs/dbraw/zinc/03/03/65/181030365.db2.gz	UOMKKGWWJAAAGW-UHFFFAOYSA-N	0	3	221.348	1.945	10	30		BDEEHN
N#CCN(CC#N)[C@H](CN)c1ccc(Cl)cc1	ZINC000042944618	181040545	/nfs/dbraw/zinc/04/05/45/181040545.db2.gz	LNPNHIQFSJVUBQ-GFCCVEGCSA-N	0	3	248.717	1.689	10	30		BDEEHN
N#C[C@@H]1CCCN1C(=O)[C@H](N)C1CCCC1	ZINC000035931766	181058312	/nfs/dbraw/zinc/05/83/12/181058312.db2.gz	FQLSDZRDGGRNBU-WDEREUQCSA-N	0	3	221.304	1.018	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1NC(=O)C1(N)CCCC1	ZINC000061890685	181059961	/nfs/dbraw/zinc/05/99/61/181059961.db2.gz	ANFYYGBXXUDRDD-UWVGGRQHSA-N	0	3	221.304	1.066	10	30		BDEEHN
N#Cc1c(F)cccc1NC(=O)[C@@H]1CCCCN1	ZINC000036158258	181074772	/nfs/dbraw/zinc/07/47/72/181074772.db2.gz	YBAWQOFORWITNH-LBPRGKRZSA-N	0	3	247.273	1.778	10	30		BDEEHN
C=CCNC(=O)[C@H](C)NCCc1ccccc1	ZINC000020312989	166389180	/nfs/dbraw/zinc/38/91/80/166389180.db2.gz	PVSBCOIOKUNEGM-LBPRGKRZSA-N	0	3	232.327	1.509	10	30		BDEEHN
N#Cc1ccc(-c2ccc(CN)cn2)nc1	ZINC000072204360	181095264	/nfs/dbraw/zinc/09/52/64/181095264.db2.gz	FNYJEZNCJFJPAT-UHFFFAOYSA-N	0	3	210.240	1.474	10	30		BDEEHN
C=CCNC(=O)[C@H](C)NCCc1ccco1	ZINC000037978068	166389442	/nfs/dbraw/zinc/38/94/42/166389442.db2.gz	USKJFTCOBJQICA-JTQLQIEISA-N	0	3	222.288	1.102	10	30		BDEEHN
N#Cc1cccnc1[S@@](=O)C[C@H]1CCCCN1	ZINC000095073466	181154458	/nfs/dbraw/zinc/15/44/58/181154458.db2.gz	HETZIFPBQGMXCV-PIGZYNQJSA-N	0	3	249.339	1.203	10	30		BDEEHN
N#Cc1ncccc1CNC[C@@H]1CCOC1	ZINC000061657894	181170841	/nfs/dbraw/zinc/17/08/41/181170841.db2.gz	ZRYGLRLWVQPEFD-JTQLQIEISA-N	0	3	217.272	1.079	10	30		BDEEHN
CCN1CC[C@H](NC(=O)[C@@](C)(C#N)CC)C1	ZINC000389666324	357012941	/nfs/dbraw/zinc/01/29/41/357012941.db2.gz	DDFKWNQWRVMZNB-CMPLNLGQSA-N	0	3	223.320	1.137	10	30		BDEEHN
N#Cc1cccc(N2CCCN(C3CC3)CC2)n1	ZINC000172409365	134265836	/nfs/dbraw/zinc/26/58/36/134265836.db2.gz	CCQFYMCRBSYXPR-UHFFFAOYSA-N	0	3	242.326	1.628	10	30		BDEEHN
N#CC[C@@H]1c2ccccc2[C@H](O)C1[N+](=O)[O-]	ZINC000584607305	358267815	/nfs/dbraw/zinc/26/78/15/358267815.db2.gz	RXWSYSRDOAXOFV-MIMYLULJSA-N	0	3	218.212	1.376	10	30		BDEEHN
CNC(=NN)c1c(C)cccc1Br	ZINC000306374933	359709036	/nfs/dbraw/zinc/70/90/36/359709036.db2.gz	RPFURHDKTVDZLC-UHFFFAOYSA-N	0	3	242.120	1.597	10	30		BDEEHN
C#CCOc1cccc(CNC[C@@H]2CCCO2)c1	ZINC000045945690	359745789	/nfs/dbraw/zinc/74/57/89/359745789.db2.gz	UNUNWBPCYRRTAX-HNNXBMFYSA-N	0	3	245.322	1.967	10	30		BDEEHN
N=C(N)Nc1ncc(Cl)cc1Cl	ZINC000013436502	181323774	/nfs/dbraw/zinc/32/37/74/181323774.db2.gz	VRGKRQOCEVHQSE-UHFFFAOYSA-N	0	3	205.048	1.293	10	30		BDEEHN
N=C(N)Nc1ncc(Br)cc1Cl	ZINC000013436508	181323794	/nfs/dbraw/zinc/32/37/94/181323794.db2.gz	MWRNNVRQWPEZJX-UHFFFAOYSA-N	0	3	249.499	1.402	10	30		BDEEHN
N=C(N)Nc1ncc(Cl)c2ccccc21	ZINC000026970724	181323809	/nfs/dbraw/zinc/32/38/09/181323809.db2.gz	UUTAMCYYNPHFMF-UHFFFAOYSA-N	0	3	220.663	1.793	10	30		BDEEHN
NCC#Cc1cccc(CN2CCCC2=O)c1	ZINC000049587724	181346170	/nfs/dbraw/zinc/34/61/70/181346170.db2.gz	STXKWQNBJDHDNE-UHFFFAOYSA-N	0	3	228.295	1.119	10	30		BDEEHN
NCC#Cc1cccc(C(=O)N2CCCCC2)c1	ZINC000037570013	181346301	/nfs/dbraw/zinc/34/63/01/181346301.db2.gz	RYMNWEOXAMSUAV-UHFFFAOYSA-N	0	3	242.322	1.623	10	30		BDEEHN
NCC#Cc1ccc(CN2CCCC2=O)cc1	ZINC000049587709	181346412	/nfs/dbraw/zinc/34/64/12/181346412.db2.gz	HRAQPNFCEOUDKY-UHFFFAOYSA-N	0	3	228.295	1.119	10	30		BDEEHN
NCC#Cc1ccc(CO[C@H]2CCOC2)c(F)c1	ZINC000104102825	181346496	/nfs/dbraw/zinc/34/64/96/181346496.db2.gz	GLQPDURMJFUAIN-ZDUSSCGKSA-N	0	3	249.285	1.441	10	30		BDEEHN
NCC#Cc1cccc(COC[C@H]2CCOC2)c1	ZINC000049691111	181346680	/nfs/dbraw/zinc/34/66/80/181346680.db2.gz	LXZQAVHCTHHCPY-HNNXBMFYSA-N	0	3	245.322	1.550	10	30		BDEEHN
NCC#Cc1ccccc1OC[C@H]1CCOC1	ZINC000049689763	181348549	/nfs/dbraw/zinc/34/85/49/181348549.db2.gz	QSODHXFCDIMRGI-LBPRGKRZSA-N	0	3	231.295	1.412	10	30		BDEEHN
N#C[C@H]1CCCC[C@@H]1NCC1(O)CCOCC1	ZINC000162332608	371660553	/nfs/dbraw/zinc/66/05/53/371660553.db2.gz	MDRJGXKPWOGKGB-NEPJUHHUSA-N	0	3	238.331	1.200	10	30		BDEEHN
NN=C(N)Cc1c(Cl)cccc1Cl	ZINC000059329732	372165541	/nfs/dbraw/zinc/16/55/41/372165541.db2.gz	OZAQCARIMDXRGT-UHFFFAOYSA-N	0	3	218.087	1.767	10	30		BDEEHN
CCCN1CCC(C#N)(NCC(F)(F)F)CC1	ZINC000037970892	169186061	/nfs/dbraw/zinc/18/60/61/169186061.db2.gz	IOFDXXLJNYZJFE-UHFFFAOYSA-N	0	3	249.280	1.906	10	30		BDEEHN
CCCNC1(C#N)CCN(C(C)C)CC1	ZINC000020380475	169254383	/nfs/dbraw/zinc/25/43/83/169254383.db2.gz	RAIKMNNUECMDNO-UHFFFAOYSA-N	0	3	209.337	1.753	10	30		BDEEHN
CCC[C@@H](C)NC(=O)c1cccc(C#CCN)c1	ZINC000037570097	169369159	/nfs/dbraw/zinc/36/91/59/169369159.db2.gz	FHWJGAQCFWCHFL-GFCCVEGCSA-N	0	3	244.338	1.915	10	30		BDEEHN
CCc1ccc([C@@H](C)NCC(=O)NCC#N)cc1	ZINC000038012759	384059357	/nfs/dbraw/zinc/05/93/57/384059357.db2.gz	RFVTWSBMUHSDRR-LLVKDONJSA-N	0	3	245.326	1.539	10	30		BDEEHN
CC/N=C1/SC(CC)C(=O)N1CC	ZINC000039100605	384102959	/nfs/dbraw/zinc/10/29/59/384102959.db2.gz	DHBXMOQXBKOXJT-YLZOWGOUSA-N	0	3	200.307	1.736	10	30		BDEEHN
CNC(=NN)c1cccc(C)c1Br	ZINC000234515119	384196178	/nfs/dbraw/zinc/19/61/78/384196178.db2.gz	OCCMROBSIKLDNQ-UHFFFAOYSA-N	0	3	242.120	1.597	10	30		BDEEHN
CN(C)[C@H]1CCN(C(=O)c2cc(C#N)cs2)C1	ZINC000177462247	385246214	/nfs/dbraw/zinc/24/62/14/385246214.db2.gz	AFIKQRVWQHLVAE-JTQLQIEISA-N	0	3	249.339	1.396	10	30		BDEEHN
Cc1cc(N2CCN[C@@H](C)C2)cc(C#N)n1	ZINC000308241456	385413821	/nfs/dbraw/zinc/41/38/21/385413821.db2.gz	PQUICNLRPUOJLR-JTQLQIEISA-N	0	3	216.288	1.060	10	30		BDEEHN
CC#CCN1CCC[C@@H](Cn2nc(C)nc2C)C1	ZINC000119244932	385622265	/nfs/dbraw/zinc/62/22/65/385622265.db2.gz	ZMGHIIIMQXGBQN-CQSZACIVSA-N	0	3	246.358	1.630	10	30		BDEEHN
CC#CCN1CCC(Cn2cccn2)CC1	ZINC000119249733	385622299	/nfs/dbraw/zinc/62/22/99/385622299.db2.gz	XYFQWVKGPSRDNI-UHFFFAOYSA-N	0	3	217.316	1.618	10	30		BDEEHN
C=C[C@](C)(CC)C(=O)N1CCN2CCC[C@@H]2C1	ZINC000188384069	385695318	/nfs/dbraw/zinc/69/53/18/385695318.db2.gz	BIBMQOBFBWRRKH-TZMCWYRMSA-N	0	3	236.359	1.895	10	30		BDEEHN
C=C[C@H](N)c1c(Br)cnn1C	ZINC000575458235	387024976	/nfs/dbraw/zinc/02/49/76/387024976.db2.gz	JOZMFIMEPYLTTD-LURJTMIESA-N	0	3	216.082	1.368	10	30		BDEEHN
C=CCCCN1CCN(c2cc(C)[nH]n2)CC1	ZINC000187261863	387184976	/nfs/dbraw/zinc/18/49/76/387184976.db2.gz	KDMISNIJJIDFPT-UHFFFAOYSA-N	0	3	234.347	1.806	10	30		BDEEHN
C[C@@H]1C[C@@](C#N)(NCc2ccccc2)CCN1	ZINC000575513099	387385309	/nfs/dbraw/zinc/38/53/09/387385309.db2.gz	ZHEMFRJBCDWJDG-OCCSQVGLSA-N	0	3	229.327	1.810	10	30		BDEEHN
N#Cc1cc(CN)ncc1OC(F)(F)F	ZINC000238633656	387886238	/nfs/dbraw/zinc/88/62/38/387886238.db2.gz	XYMDYEXNKGFRBK-UHFFFAOYSA-N	0	3	217.150	1.311	10	30		BDEEHN
Cc1ccnc(N2CCN3CCC[C@H]3C2)c1C#N	ZINC000250860865	132303583	/nfs/dbraw/zinc/30/35/83/132303583.db2.gz	BWSDRTBTLRNDNL-LBPRGKRZSA-N	0	3	242.326	1.546	10	30		BDEEHN
C=C(C)CN(C)C(=O)[C@@H](CCC)N(C)C	ZINC000183063648	134350557	/nfs/dbraw/zinc/35/05/57/134350557.db2.gz	RHYLVNWPLXYQGM-LLVKDONJSA-N	0	3	212.337	1.751	10	30		BDEEHN
CCC[C@H](C(=O)N[C@H](CC)CC#N)N(C)C	ZINC000183901252	134357466	/nfs/dbraw/zinc/35/74/66/134357466.db2.gz	WBKVZRFTYDAWIJ-GHMZBOCLSA-N	0	3	225.336	1.525	10	30		BDEEHN
CC(C#N)C(=O)N1C[C@H]2CCCCN2C[C@H]1C	ZINC000252661902	135094080	/nfs/dbraw/zinc/09/40/80/135094080.db2.gz	RFKVDGSQQIZBDZ-IJLUTSLNSA-N	0	3	235.331	1.231	10	30		BDEEHN
N#CC1(CN2CCN3CCCC[C@H]3C2)CC1	ZINC000259087811	135136818	/nfs/dbraw/zinc/13/68/18/135136818.db2.gz	DJHFPAYCPZRERL-LBPRGKRZSA-N	0	3	219.332	1.460	10	30		BDEEHN
C#CCN(C)[C@H](C)Cc1ccc(N)cc1	ZINC000065734215	166161446	/nfs/dbraw/zinc/16/14/46/166161446.db2.gz	XXFSWRABMGXENS-LLVKDONJSA-N	0	3	202.301	1.765	10	30	in-vitro	BDEEHN
C#CC[C@H](N)C(=O)NC[C@H](C)c1ccccc1	ZINC000083357533	166206732	/nfs/dbraw/zinc/20/67/32/166206732.db2.gz	UWAHKXSDCXKNRS-AAEUAGOBSA-N	0	3	230.311	1.257	10	30		BDEEHN
C(#Cc1ccccc1)CN[C@H]1CN2CCC1CC2	ZINC000051814081	166224945	/nfs/dbraw/zinc/22/49/45/166224945.db2.gz	FULQQMWKVAHCBL-INIZCTEOSA-N	0	3	240.350	1.722	10	30		BDEEHN
C=CCN(Cc1cc(C)ccc1OC)C(=O)CN	ZINC000076633892	166346291	/nfs/dbraw/zinc/34/62/91/166346291.db2.gz	KRMXDPDMDODFRP-UHFFFAOYSA-N	0	3	248.326	1.477	10	30		BDEEHN
C=CCNC(=O)[C@H](C)NCCOc1ccccc1	ZINC000048777059	166388246	/nfs/dbraw/zinc/38/82/46/166388246.db2.gz	RANSZIRNRRIXBK-LBPRGKRZSA-N	0	3	248.326	1.346	10	30		BDEEHN
CCC(=O)Nc1cc(C#CCN)ccc1C	ZINC000037471250	168242422	/nfs/dbraw/zinc/24/24/22/168242422.db2.gz	VHYAQZDTBQDNCG-UHFFFAOYSA-N	0	3	216.284	1.654	10	30		BDEEHN
CCNCC(=O)N(C)c1cccc(C#N)c1	ZINC000061980838	170109128	/nfs/dbraw/zinc/10/91/28/170109128.db2.gz	RCUKDFSCMRONAA-UHFFFAOYSA-N	0	3	217.272	1.131	10	30		BDEEHN
CCOC(=O)C(C#N)Cc1ccccc1OC	ZINC000074467944	170263084	/nfs/dbraw/zinc/26/30/84/170263084.db2.gz	DCYCGIPEPUVABU-NSHDSACASA-N	0	3	233.267	1.941	10	30		BDEEHN
CC[C@H](C)NC(=O)c1ccccc1C#CCN	ZINC000037569860	171337460	/nfs/dbraw/zinc/33/74/60/171337460.db2.gz	IBHUGGSVICKJHB-NSHDSACASA-N	0	3	230.311	1.525	10	30		BDEEHN
CC[C@H](C)[C@@H](N)C(=O)NCc1cccc(C#N)c1	ZINC000037748657	171371436	/nfs/dbraw/zinc/37/14/36/171371436.db2.gz	CIASJVKNBGTQMC-GXFFZTMASA-N	0	3	245.326	1.548	10	30		BDEEHN
C=CCN(C(=O)[C@@H](N)CCC)[C@@H](C)COC	ZINC000662855970	412325351	/nfs/dbraw/zinc/32/53/51/412325351.db2.gz	XKXYDEDXKGCSMI-QWRGUYRKSA-N	0	3	228.336	1.163	10	30		BDEEHN
CN(C(=O)c1ccc(C#CCN)s1)C1CC1	ZINC000040234356	172339313	/nfs/dbraw/zinc/33/93/13/172339313.db2.gz	VYFYHIINTDMLHZ-UHFFFAOYSA-N	0	3	234.324	1.293	10	30		BDEEHN
C[C@@H]1CCCC[C@@]1(C#N)NCCN(C)C	ZINC000037940680	176083411	/nfs/dbraw/zinc/08/34/11/176083411.db2.gz	GYWXDRQTJQPXJA-NEPJUHHUSA-N	0	3	209.337	1.610	10	30		BDEEHN
C[C@@H]1C[C@@H](Nc2nccc(C#N)n2)CN1C1CC1	ZINC000297612454	176380271	/nfs/dbraw/zinc/38/02/71/176380271.db2.gz	VRLJUTWZZZVJGD-MWLCHTKSSA-N	0	3	243.314	1.385	10	30		BDEEHN
C[C@@H]1C[C@@H]1C(=O)NCc1ccc(C#CCN)cc1	ZINC000049586294	176386919	/nfs/dbraw/zinc/38/69/19/176386919.db2.gz	KVLIWSNHMPIVSL-RISCZKNCSA-N	0	3	242.322	1.269	10	30		BDEEHN
CCC(C#N)(CC)C(=O)N1CC[C@@H](N(C)C)C1	ZINC000110250215	323115284	/nfs/dbraw/zinc/11/52/84/323115284.db2.gz	RKEIDWAHHKDGFU-LLVKDONJSA-N	0	3	237.347	1.479	10	30		BDEEHN
COC[C@@H](C)NCC#Cc1ccc(F)cc1	ZINC000309467047	487971571	/nfs/dbraw/zinc/97/15/71/487971571.db2.gz	PRHOCFJEFYOPFO-LLVKDONJSA-N	0	3	221.275	1.802	10	30		BDEEHN
C=CCCNCc1c(C)nn(C)c1OC	ZINC000168548062	487519372	/nfs/dbraw/zinc/51/93/72/487519372.db2.gz	VFYIASIAWICYRO-UHFFFAOYSA-N	0	3	209.293	1.403	10	30		BDEEHN
C=C(C)CNCc1c(C)nn(C)c1N(C)C	ZINC000309416738	491148951	/nfs/dbraw/zinc/14/89/51/491148951.db2.gz	CUMVPPNATFVMPK-UHFFFAOYSA-N	0	3	222.336	1.460	10	30		BDEEHN
C=CCCC[C@@H](C)NC(=O)[C@@H](N)CCC	ZINC000183052556	534750159	/nfs/dbraw/zinc/75/01/59/534750159.db2.gz	ILPRHRFYJNRCHM-MNOVXSKESA-N	0	3	212.337	1.975	10	30		BDEEHN
CN1CCC(C(=O)N[C@H]2CCC[C@H]2C#N)CC1	ZINC000259958482	536334662	/nfs/dbraw/zinc/33/46/62/536334662.db2.gz	SGGNGOWRTXDNHF-RYUDHWBXSA-N	0	3	235.331	1.137	10	30		BDEEHN
N#C[C@@H]1CCC[C@H]1NCCC1OCCO1	ZINC000308884242	632079629	/nfs/dbraw/zinc/07/96/29/632079629.db2.gz	RSVZKSZWMKOMLD-VHSXEESVSA-N	0	3	210.277	1.031	10	30		BDEEHN
CC(=O)[C@@H]1CCCN(CCO[C@@H](C)C#N)C1	ZINC000309127868	632642214	/nfs/dbraw/zinc/64/22/14/632642214.db2.gz	ANZCIYAJPOGKCH-CMPLNLGQSA-N	0	3	224.304	1.216	10	30		BDEEHN
C[C@@H](C(N)=O)N(C)CCCCC(C)(C)C#N	ZINC000711140373	712285439	/nfs/dbraw/zinc/28/54/39/712285439.db2.gz	XVLZNFFLMXVKJS-JTQLQIEISA-N	0	3	225.336	1.512	10	30		BDEEHN
C=C(Cl)CN1CCC[C@H]1CCCO	ZINC000052762756	711672563	/nfs/dbraw/zinc/67/25/63/711672563.db2.gz	MYTDYFDDINCVFL-JTQLQIEISA-N	0	3	203.713	1.976	10	30		BDEEHN
N#C[C@H]1CCC[C@@H]1NC1CCN(C2CC2)CC1	ZINC000310323444	136220615	/nfs/dbraw/zinc/22/06/15/136220615.db2.gz	ZMWOHVNIKOYKLY-RISCZKNCSA-N	0	3	233.359	1.895	10	30		BDEEHN
C=CCCOCCNC(=O)[C@@H](N)[C@@H](C)CC	ZINC000182816372	136228596	/nfs/dbraw/zinc/22/85/96/136228596.db2.gz	NIKYEASSRVVTCE-QWRGUYRKSA-N	0	3	228.336	1.069	10	30		BDEEHN
CCC(CC)N(CCO)C(=O)C(C)C#N	ZINC000044826568	168372233	/nfs/dbraw/zinc/37/22/33/168372233.db2.gz	LCAVQAXLANJUFI-VIFPVBQESA-N	0	3	212.293	1.156	10	30		BDEEHN
C[C@H]1CCN(C)CCN1C(=O)CC(C)(C)C#N	ZINC000335905512	136260676	/nfs/dbraw/zinc/26/06/76/136260676.db2.gz	NWCCGHKFFMMJQH-NSHDSACASA-N	0	3	237.347	1.479	10	30		BDEEHN
COC(=O)C[C@@H](N)c1ccc(C#N)cc1	ZINC000015440654	343266463	/nfs/dbraw/zinc/26/64/63/343266463.db2.gz	MCVVLUVORCVZDX-SNVBAGLBSA-N	0	3	204.229	1.121	10	30		BDEEHN
SCCN1CCN2CCCC[C@@H]2C1	ZINC000227276116	343411349	/nfs/dbraw/zinc/41/13/49/343411349.db2.gz	ZTIKHRHSVXHZPS-SNVBAGLBSA-N	0	3	200.351	1.086	10	30		BDEEHN
N#C[C@H]1CCCC[C@@H]1NCC1(O)CCCC1	ZINC000083466165	343608481	/nfs/dbraw/zinc/60/84/81/343608481.db2.gz	BLXBQSWHUNNCLD-NEPJUHHUSA-N	0	3	222.332	1.963	10	30		BDEEHN
N#Cc1ccc(CN[C@@H]2C[C@H]2CO)cc1	ZINC000380205808	343692519	/nfs/dbraw/zinc/69/25/19/343692519.db2.gz	WFPNIMURGQAQDT-NWDGAFQWSA-N	0	3	202.257	1.029	10	30		BDEEHN
C#CCn1nc(-c2ccsc2)c2c1CCNC2	ZINC000409440796	343856299	/nfs/dbraw/zinc/85/62/99/343856299.db2.gz	UWJRPQMKKHOYKZ-UHFFFAOYSA-N	0	3	243.335	1.891	10	30		BDEEHN
N#C[C@@H](c1ccccc1F)N1CC(N)C1	ZINC000409442566	343859135	/nfs/dbraw/zinc/85/91/35/343859135.db2.gz	XBVOGWHUPFBICL-NSHDSACASA-N	0	3	205.236	1.033	10	30		BDEEHN
C#CCn1nc(-c2cccnc2)cc1CNC	ZINC000409443150	343865963	/nfs/dbraw/zinc/86/59/63/343865963.db2.gz	HTSZTQAGNAYFPB-UHFFFAOYSA-N	0	3	226.283	1.298	10	30		BDEEHN
C=CCOCCN1C[C@@H]2CCCCN2C[C@@H]1C	ZINC000310214797	344710009	/nfs/dbraw/zinc/71/00/09/344710009.db2.gz	HORBLJWLGCQLCD-KBPBESRZSA-N	0	3	238.375	1.748	10	30		BDEEHN
CNC(=NN)Nc1cccc(Br)c1	ZINC000164625512	346613416	/nfs/dbraw/zinc/61/34/16/346613416.db2.gz	OUCKMELIUFJSSS-UHFFFAOYSA-N	0	3	243.108	1.310	10	30		BDEEHN
CN(Cc1cccnc1)C[C@H]1CCN(CC#N)C1	ZINC000195273067	347445899	/nfs/dbraw/zinc/44/58/99/347445899.db2.gz	MHGTYDBQUSNDQF-CQSZACIVSA-N	0	3	244.342	1.359	10	30		BDEEHN
CC[C@H](C)[C@@H](N)C(=O)N1CC[C@@](C)(C#N)C1	ZINC000595980428	348414924	/nfs/dbraw/zinc/41/49/24/348414924.db2.gz	HXKLPMYDJRZXPM-UMNHJUIQSA-N	0	3	223.320	1.122	10	30		BDEEHN
N#Cc1cccc(CN[C@@H]2C[C@H]2CO)c1	ZINC000308901254	349056325	/nfs/dbraw/zinc/05/63/25/349056325.db2.gz	BXRPFTCITBKQTA-NWDGAFQWSA-N	0	3	202.257	1.029	10	30		BDEEHN
C[C@H](N[C@H]1CCOC[C@@H]1O)c1ccc(C#N)cc1	ZINC000599078731	349095301	/nfs/dbraw/zinc/09/53/01/349095301.db2.gz	ALINNDVYLMCTBD-BPNCWPANSA-N	0	3	246.310	1.359	10	30		BDEEHN
Cc1nn(C)c(NC[C@@H]2CCCCN2C)c1C#N	ZINC000104428278	180358385	/nfs/dbraw/zinc/35/83/85/180358385.db2.gz	UOQZOWLERCGTHX-NSHDSACASA-N	0	3	247.346	1.496	10	30		BDEEHN
Cc1nn(C)c(NC[C@H]2CCCCN2C)c1C#N	ZINC000104428283	180358550	/nfs/dbraw/zinc/35/85/50/180358550.db2.gz	UOQZOWLERCGTHX-LLVKDONJSA-N	0	3	247.346	1.496	10	30		BDEEHN
N#Cc1cccc([C@@H]2CCN(CCO)C2)c1	ZINC000616614146	350826964	/nfs/dbraw/zinc/82/69/64/350826964.db2.gz	FJKNMPOAKRHNNE-CYBMUJFWSA-N	0	3	216.284	1.340	10	30		BDEEHN
CC(C#N)C(=O)N1CCC[C@@H]1c1cnn(C)c1	ZINC000336714634	351104520	/nfs/dbraw/zinc/10/45/20/351104520.db2.gz	PFACNASKCXMAGY-MWLCHTKSSA-N	0	3	232.287	1.243	10	30		BDEEHN
CC(C#N)C(=O)N1CCC[C@H]1c1cnn(C)c1	ZINC000336714631	351104536	/nfs/dbraw/zinc/10/45/36/351104536.db2.gz	PFACNASKCXMAGY-KOLCDFICSA-N	0	3	232.287	1.243	10	30		BDEEHN
CC(C)(CS)CN1CCN2CC[C@H]1C2	ZINC000307264569	351812195	/nfs/dbraw/zinc/81/21/95/351812195.db2.gz	CFKYOWPMUJSLGV-JTQLQIEISA-N	0	3	214.378	1.332	10	30		BDEEHN
C=CC[C@H]1CCN(C(=O)[C@@H](N)CCC)C1	ZINC000638472070	352281496	/nfs/dbraw/zinc/28/14/96/352281496.db2.gz	OFQKWJVHHCLGEE-QWRGUYRKSA-N	0	3	210.321	1.538	10	30		BDEEHN
C[C@@H](CCC#N)N1CCN2CCCC[C@H]2C1	ZINC000411397814	191180925	/nfs/dbraw/zinc/18/09/25/191180925.db2.gz	ZWUIYYZJDVSOQX-STQMWFEESA-N	0	3	221.348	1.849	10	30		BDEEHN
C=CCSCCNC(=O)[C@@H](CCC)N(C)C	ZINC000123911408	353158242	/nfs/dbraw/zinc/15/82/42/353158242.db2.gz	DXXHOGPQVDWGER-LLVKDONJSA-N	0	3	244.404	1.752	10	30		BDEEHN
C=C[C@]1(C2=NCCN2)COc2ccccc2O1	ZINC000026002705	188059824	/nfs/dbraw/zinc/05/98/24/188059824.db2.gz	UASOMNFQPGGPNL-CYBMUJFWSA-N	0	3	230.267	1.384	10	30		BDEEHN
C=CCNC[C@@H](O)c1ccc2c(c1)OCCO2	ZINC000033465347	188060645	/nfs/dbraw/zinc/06/06/45/188060645.db2.gz	IOVWVKRQIHZQCV-LLVKDONJSA-N	0	3	235.283	1.267	10	30		BDEEHN
N#Cc1cnc(CCN2CCCC2)s1	ZINC000082418248	188097451	/nfs/dbraw/zinc/09/74/51/188097451.db2.gz	IXGSZGWLAJXFCC-UHFFFAOYSA-N	0	3	207.302	1.653	10	30		BDEEHN
C#CCCN[C@H]1CCc2c1cccc2O	ZINC000069768717	188111918	/nfs/dbraw/zinc/11/19/18/188111918.db2.gz	MXZLRPUELTYLFT-LBPRGKRZSA-N	0	3	201.269	1.992	10	30		BDEEHN
CC(C)[C@H](N)C(=O)Nc1cccc(F)c1C#N	ZINC000036158278	188112442	/nfs/dbraw/zinc/11/24/42/188112442.db2.gz	PARPZUUCJPCBNL-NSHDSACASA-N	0	3	235.262	1.619	10	30		BDEEHN
C=C(Br)Cn1cc(CN)cn1	ZINC000073711515	188114947	/nfs/dbraw/zinc/11/49/47/188114947.db2.gz	HELFYAFRFALEGS-UHFFFAOYSA-N	0	3	216.082	1.250	10	30		BDEEHN
CC(C)NC(=O)C(C#N)Cc1ccccc1	ZINC000044808727	188123976	/nfs/dbraw/zinc/12/39/76/188123976.db2.gz	YAFPSUZXMMDPGP-LBPRGKRZSA-N	0	3	216.284	1.893	10	30		BDEEHN
CC(C)(CO)N[C@@H]1CCCCC[C@H]1C#N	ZINC000054825063	188177893	/nfs/dbraw/zinc/17/78/93/188177893.db2.gz	LFRBAEJEEYBUIP-WDEREUQCSA-N	0	3	210.321	1.819	10	30		BDEEHN
CC(C)N(C)C(=O)c1ccc(C#CCN)s1	ZINC000040233760	188215653	/nfs/dbraw/zinc/21/56/53/188215653.db2.gz	HSJXJCKGWJHCLB-UHFFFAOYSA-N	0	3	236.340	1.539	10	30		BDEEHN
C=CCNC[C@@H](O)c1cc(F)ccc1OC	ZINC000049820008	188218321	/nfs/dbraw/zinc/21/83/21/188218321.db2.gz	WBQTVEXNSPOEJG-LLVKDONJSA-N	0	3	225.263	1.643	10	30		BDEEHN
C=CCNC[C@H](O)c1ccc(OC)c(C)c1	ZINC000049818355	188218991	/nfs/dbraw/zinc/21/89/91/188218991.db2.gz	CVHDKJILQWZYHV-LBPRGKRZSA-N	0	3	221.300	1.813	10	30		BDEEHN
CC(=O)N[C@H](C)c1ccc(C#CCN)cc1	ZINC000049586723	188219223	/nfs/dbraw/zinc/21/92/23/188219223.db2.gz	DQIYGDHBPMXTRS-SNVBAGLBSA-N	0	3	216.284	1.194	10	30		BDEEHN
CC1CC(C#N)(C(=O)N2CC[C@@H](N(C)C)C2)C1	ZINC000122371137	324041768	/nfs/dbraw/zinc/04/17/68/324041768.db2.gz	ZVVTYBPKQKLFST-QWKFWESOSA-N	0	3	235.331	1.089	10	30		BDEEHN
N#CCCCN1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000220292967	353832880	/nfs/dbraw/zinc/83/28/80/353832880.db2.gz	NRPLPJNXJUTIPY-CHWSQXEVSA-N	0	3	222.332	1.917	10	30		BDEEHN
N#C[C@@H]1CCCCC[C@@H]1NCCn1ccnc1	ZINC000054826396	181059187	/nfs/dbraw/zinc/05/91/87/181059187.db2.gz	FKAKIDWNNNNBFB-STQMWFEESA-N	0	3	232.331	1.945	10	30		BDEEHN
N#C[C@H]1CCC[C@H]1NCCN1CCCCC1	ZINC000054827334	181069694	/nfs/dbraw/zinc/06/96/94/181069694.db2.gz	SAGLGQIWNSXHOV-CHWSQXEVSA-N	0	3	221.348	1.754	10	30		BDEEHN
N#Cc1ccc(CN2CCN3CCCC[C@@H]3C2)o1	ZINC000092616069	181104557	/nfs/dbraw/zinc/10/45/57/181104557.db2.gz	PEJCGLQHYZSCJD-GFCCVEGCSA-N	0	3	245.326	1.821	10	30		BDEEHN
N=C(N)NN=C1CCCc2ccccc21	ZINC000029220554	181187943	/nfs/dbraw/zinc/18/79/43/181187943.db2.gz	CNZLDSHPYQPXMZ-UVTDQMKNSA-N	0	3	202.261	1.210	10	30		BDEEHN
C[C@@H]1CN(C/C=C\CS)C[C@H](C)N1C	ZINC000308387592	355397182	/nfs/dbraw/zinc/39/71/82/355397182.db2.gz	PQCDGQCHIGNTRO-XTDHWIJXSA-N	0	3	214.378	1.497	10	30		BDEEHN
C=C(Br)CN[C@H]1CCC[C@H]1O	ZINC000168284045	356713807	/nfs/dbraw/zinc/71/38/07/356713807.db2.gz	QFJHCSKEWJNBPS-JGVFFNPUSA-N	0	3	220.110	1.398	10	30		BDEEHN
CCN1CC[C@@H](NC(=O)C(C#N)(CC)CC)C1	ZINC000389672684	357012604	/nfs/dbraw/zinc/01/26/04/357012604.db2.gz	FQBSTPXIEGNYDM-LLVKDONJSA-N	0	3	237.347	1.527	10	30		BDEEHN
C=CCOCCN1CCN2CCCC[C@@H]2C1	ZINC000304213886	134236926	/nfs/dbraw/zinc/23/69/26/134236926.db2.gz	FUKKVXZCENGRLU-CYBMUJFWSA-N	0	3	224.348	1.359	10	30		BDEEHN
C#CCOc1cccc(CN[C@H](CC)CO)c1	ZINC000045945667	359746137	/nfs/dbraw/zinc/74/61/37/359746137.db2.gz	WMXIWYDJAPSFIC-CYBMUJFWSA-N	0	3	233.311	1.559	10	30		BDEEHN
C=C[C@@H](N)c1cnn(C)c1Br	ZINC000306472420	360100688	/nfs/dbraw/zinc/10/06/88/360100688.db2.gz	SVIAGCLAIRBFQW-ZCFIWIBFSA-N	0	3	216.082	1.368	10	30		BDEEHN
CCN([O-])C(=O)[C@@H]1[NH2+]CCCC1(C)C	ZINC000306581463	360478876	/nfs/dbraw/zinc/47/88/76/360478876.db2.gz	OQLOLACIGGEJIB-QMMMGPOBSA-N	0	3	200.282	1.002	10	30		BDEEHN
NCC#Cc1ccccc1COC[C@H]1CCOC1	ZINC000049691099	181345857	/nfs/dbraw/zinc/34/58/57/181345857.db2.gz	ZZHZWQRSSCGFDO-ZDUSSCGKSA-N	0	3	245.322	1.550	10	30		BDEEHN
NCC#Cc1cccc(CSc2nc[nH]n2)c1	ZINC000049611304	181346904	/nfs/dbraw/zinc/34/69/04/181346904.db2.gz	ZZFZFRNMCFEIBF-UHFFFAOYSA-N	0	3	244.323	1.407	10	30		BDEEHN
NCC#Cc1ccc(CNC(=O)C2CC2)cc1	ZINC000049586283	181346928	/nfs/dbraw/zinc/34/69/28/181346928.db2.gz	CQMUHRNLIXXZIQ-UHFFFAOYSA-N	0	3	228.295	1.023	10	30		BDEEHN
NCC#Cc1ccc(Cn2ccsc2=O)cc1	ZINC000071351128	181346936	/nfs/dbraw/zinc/34/69/36/181346936.db2.gz	FMCXGZKVXWEZQW-UHFFFAOYSA-N	0	3	244.319	1.268	10	30		BDEEHN
C#CCN(C)c1ccc(Cl)c(CN)n1	ZINC000130796904	369013894	/nfs/dbraw/zinc/01/38/94/369013894.db2.gz	HJTMYWDIGRFSBA-UHFFFAOYSA-N	0	3	209.680	1.263	10	30		BDEEHN
C[C@H](CS)CN1C[C@@H](C)OC[C@@H]1C	ZINC000227257560	371817093	/nfs/dbraw/zinc/81/70/93/371817093.db2.gz	MDXSBBMHXDUKBQ-LPEHRKFASA-N	0	3	203.351	1.662	10	30		BDEEHN
C[C@H](O)CCCN[C@@H]1CCCC[C@@H]1C#N	ZINC000227710906	371925493	/nfs/dbraw/zinc/92/54/93/371925493.db2.gz	HSHWQCOAEMYCBO-QJPTWQEYSA-N	0	3	210.321	1.819	10	30		BDEEHN
OCC#Cc1cccc(OCCN2CCCC2)c1	ZINC000037543938	183033644	/nfs/dbraw/zinc/03/36/44/183033644.db2.gz	KTYDKRXMABNMND-UHFFFAOYSA-N	0	3	245.322	1.505	10	30		BDEEHN
CCCN(Cc1ccc(C#N)cc1)C(=O)CNC	ZINC000037809165	169174428	/nfs/dbraw/zinc/17/44/28/169174428.db2.gz	AURIQNLZYOQEPA-UHFFFAOYSA-N	0	3	245.326	1.516	10	30		BDEEHN
CCCN[C@H](C#N)CCN(C)C1CCOCC1	ZINC000062435190	169284126	/nfs/dbraw/zinc/28/41/26/169284126.db2.gz	OXQLYHIUDSLVJS-LBPRGKRZSA-N	0	3	239.363	1.379	10	30		BDEEHN
CCCO[C@H]1CCCN(C(=O)C(C)C#N)C1	ZINC000044826358	169311953	/nfs/dbraw/zinc/31/19/53/169311953.db2.gz	YJOVCEVJYGZMGC-QWRGUYRKSA-N	0	3	224.304	1.564	10	30		BDEEHN
CCCO[C@H]1CCCN(C(=O)C(C)C#N)C1	ZINC000044826360	169312004	/nfs/dbraw/zinc/31/20/04/169312004.db2.gz	YJOVCEVJYGZMGC-MNOVXSKESA-N	0	3	224.304	1.564	10	30		BDEEHN
C#CCCN1C[C@@H]2CCCCN2C[C@H]1CC	ZINC000251547006	533055803	/nfs/dbraw/zinc/05/58/03/533055803.db2.gz	AYNLTJCMJQEIQT-KGLIPLIRSA-N	0	3	220.360	1.958	10	30		BDEEHN
COC(=O)[C@@H]1CCN(CCCCC#N)C[C@H]1C	ZINC000249079453	384480398	/nfs/dbraw/zinc/48/03/98/384480398.db2.gz	MJRYNTSXUYJBEB-VXGBXAGGSA-N	0	3	238.331	1.811	10	30		BDEEHN
CC#CCCN1CCC(Nc2cccnn2)CC1	ZINC000155439290	384721969	/nfs/dbraw/zinc/72/19/69/384721969.db2.gz	JLDSSRYDOXCKGH-UHFFFAOYSA-N	0	3	244.342	1.766	10	30		BDEEHN
C=C(Cl)CN1CC[C@H]2OCC[C@H]2C1	ZINC000306671845	385153320	/nfs/dbraw/zinc/15/33/20/385153320.db2.gz	ZODZHUAKQDHHLA-VHSXEESVSA-N	0	3	201.697	1.850	10	30		BDEEHN
N#Cc1ccc(-c2n[nH]c3c2CCNC3)cc1F	ZINC000584598710	385467433	/nfs/dbraw/zinc/46/74/33/385467433.db2.gz	DLPSAQOYTLTANO-UHFFFAOYSA-N	0	3	242.257	1.733	10	30		BDEEHN
C#CCNC(=O)N[C@@H](CN(C)C)c1ccccc1	ZINC000119290298	533172868	/nfs/dbraw/zinc/17/28/68/533172868.db2.gz	GBORSUNCJSHZQK-ZDUSSCGKSA-N	0	3	245.326	1.222	10	30		BDEEHN
C=C(C)[C@H](N)c1c(Br)cnn1C	ZINC000575483006	387186408	/nfs/dbraw/zinc/18/64/08/387186408.db2.gz	NCTFXAUHDCBPND-ZETCQYMHSA-N	0	3	230.109	1.759	10	30		BDEEHN
CC[C@H](NC(=O)[C@H](N)CCCC#N)C(C)C	ZINC000424102713	387526600	/nfs/dbraw/zinc/52/66/00/387526600.db2.gz	LTVOWGWWQLYEQC-MNOVXSKESA-N	0	3	225.336	1.558	10	30		BDEEHN
C=CCC[C@H](O)CN1CCC[C@@H]1c1cnn(C)c1	ZINC000245983696	387998720	/nfs/dbraw/zinc/99/87/20/387998720.db2.gz	DMWPOAJHYQVPJT-UONOGXRCSA-N	0	3	249.358	1.884	10	30		BDEEHN
CC(C)N1C[C@H](C)[C@H](NC(=O)C(C)(C)C#N)C1	ZINC000247408067	388663309	/nfs/dbraw/zinc/66/33/09/388663309.db2.gz	RMOBXKFTUORGFT-WDEREUQCSA-N	0	3	237.347	1.381	10	30		BDEEHN
Cc1ccc(C#N)c(N2CCN3CCC[C@@H]3C2)n1	ZINC000094460878	132429068	/nfs/dbraw/zinc/42/90/68/132429068.db2.gz	XMCPAKHPEBDCSN-CYBMUJFWSA-N	0	3	242.326	1.546	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1NC(=O)C12CCCN1CCC2	ZINC000336450706	134147584	/nfs/dbraw/zinc/14/75/84/134147584.db2.gz	GURNTVDTPSGKJP-RYUDHWBXSA-N	0	3	247.342	1.423	10	30		BDEEHN
C[C@H](C#N)N1CC[C@@H](N2CCCCC2)C1	ZINC000220554116	134309661	/nfs/dbraw/zinc/30/96/61/134309661.db2.gz	YKMDSTBPMHUQPQ-VXGBXAGGSA-N	0	3	207.321	1.459	10	30		BDEEHN
C#CCCCCC(=O)N1CCN2CCC[C@@H]2C1	ZINC000179913208	134325257	/nfs/dbraw/zinc/32/52/57/134325257.db2.gz	SHUBALAVCMSQDL-CYBMUJFWSA-N	0	3	234.343	1.487	10	30		BDEEHN
C[C@@H](C#N)N1CCN(CCC(C)(C)C)CC1	ZINC000070995397	135017339	/nfs/dbraw/zinc/01/73/39/135017339.db2.gz	UXIFXVHUDHPQQN-LBPRGKRZSA-N	0	3	223.364	1.952	10	30		BDEEHN
C#CC[C@H](N)C(=O)NC[C@H](CC)CCCC	ZINC000083353601	166206604	/nfs/dbraw/zinc/20/66/04/166206604.db2.gz	FRCCSXIUUHMMFC-NEPJUHHUSA-N	0	3	224.348	1.670	10	30		BDEEHN
C=CCN1C[C@H](N)c2cc([N+](=O)[O-])ccc21	ZINC000019795913	166360683	/nfs/dbraw/zinc/36/06/83/166360683.db2.gz	FLZMUGBUVPGDTM-JTQLQIEISA-N	0	3	219.244	1.601	10	30		BDEEHN
C=CCNCC(=O)N1CCc2sccc2C1	ZINC000035099743	166399935	/nfs/dbraw/zinc/39/99/35/166399935.db2.gz	FOFXZGZAZMOBGP-UHFFFAOYSA-N	0	3	236.340	1.408	10	30		BDEEHN
CC(C)NC(=O)C(C#N)Cc1ccccc1	ZINC000044808728	167079195	/nfs/dbraw/zinc/07/91/95/167079195.db2.gz	YAFPSUZXMMDPGP-GFCCVEGCSA-N	0	3	216.284	1.893	10	30		BDEEHN
CC(C)[C@@H](C#N)C(=O)N1CCC[C@H]1CN(C)C	ZINC000061645869	167340188	/nfs/dbraw/zinc/34/01/88/167340188.db2.gz	QLTILIWGNRJSHW-NWDGAFQWSA-N	0	3	237.347	1.335	10	30		BDEEHN
CC(C)[C@@H](C)N(C)CC(=O)N(C)CCC#N	ZINC000035238577	167365580	/nfs/dbraw/zinc/36/55/80/167365580.db2.gz	UXUSXLXQYPCBDV-LLVKDONJSA-N	0	3	225.336	1.335	10	30		BDEEHN
C[C@@H](CC#N)NC1(CO)CCC(C)CC1	ZINC000053118553	168157229	/nfs/dbraw/zinc/15/72/29/168157229.db2.gz	PVCHMGKGUKEBFT-CXQJBGSLSA-N	0	3	210.321	1.819	10	30		BDEEHN
CCN1CC[C@H](NC(=O)c2ccc(C#N)cc2)C1	ZINC000334581071	170020583	/nfs/dbraw/zinc/02/05/83/170020583.db2.gz	VWEIDGVNSHDHHD-ZDUSSCGKSA-N	0	3	243.310	1.382	10	30		BDEEHN
CC[C@@H]1CO[C@@H](C)CN1C[C@]1(C=O)CCOC1	ZINC000051179398	171111347	/nfs/dbraw/zinc/11/13/47/171111347.db2.gz	VPWJXIVKMYVTAA-XQQFMLRXSA-N	0	3	241.331	1.091	10	30		BDEEHN
CC[C@H](C)[C@@H](N)C(=O)NCc1ccc(C#N)cc1	ZINC000037748552	171370821	/nfs/dbraw/zinc/37/08/21/171370821.db2.gz	HYKHVIKYMNXVOG-GXFFZTMASA-N	0	3	245.326	1.548	10	30		BDEEHN
CCc1nccn1Cc1ccc(C#CCN)cc1	ZINC000049610281	172027696	/nfs/dbraw/zinc/02/76/96/172027696.db2.gz	LFIYNJNCXAZENV-UHFFFAOYSA-N	0	3	239.322	1.804	10	30		BDEEHN
CN(C(=O)[C@](C)(N)C1CC1)c1cccc(C#N)c1	ZINC000061980954	172336120	/nfs/dbraw/zinc/33/61/20/172336120.db2.gz	RKCOPVFQXNWQBW-CQSZACIVSA-N	0	3	243.310	1.648	10	30		BDEEHN
CN1CC[C@@H](Nc2ccc(C#N)cc2F)C1	ZINC000049086217	173125722	/nfs/dbraw/zinc/12/57/22/173125722.db2.gz	OKCVJGXQTISLSL-SNVBAGLBSA-N	0	3	219.263	1.813	10	30		BDEEHN
CNC(C)(C)C(=O)Nc1cccc(C#N)c1	ZINC000061300195	173318630	/nfs/dbraw/zinc/31/86/30/173318630.db2.gz	AIAQNBMURMOPOZ-UHFFFAOYSA-N	0	3	217.272	1.495	10	30		BDEEHN
COCCN(CCCC#N)[C@@H](C)COC	ZINC000042266269	174291096	/nfs/dbraw/zinc/29/10/96/174291096.db2.gz	FYVVZXRAVKOGSF-NSHDSACASA-N	0	3	214.309	1.273	10	30		BDEEHN
COCCNC(=NN)c1ccc(C(C)C)cc1	ZINC000053293569	174303546	/nfs/dbraw/zinc/30/35/46/174303546.db2.gz	HMPHZFDPWSBEDE-UHFFFAOYSA-N	0	3	235.331	1.666	10	30		BDEEHN
COc1ccc(C#CCO)cc1CN(C)C(C)C	ZINC000049616526	175051458	/nfs/dbraw/zinc/05/14/58/175051458.db2.gz	UXMSFNWTUQAGAL-UHFFFAOYSA-N	0	3	247.338	1.879	10	30		BDEEHN
C[C@@H]1CN(Cc2ccccc2C#CCN)CCO1	ZINC000049608489	176305835	/nfs/dbraw/zinc/30/58/35/176305835.db2.gz	KRYSPWDAELHVAD-CYBMUJFWSA-N	0	3	244.338	1.218	10	30		BDEEHN
C[C@H]1CN(C[C@]2(C=O)CCCOC2)CCCO1	ZINC000104310390	177258842	/nfs/dbraw/zinc/25/88/42/177258842.db2.gz	CUZYSTYXJRHSDU-STQMWFEESA-N	0	3	241.331	1.093	10	30		BDEEHN
C#CCNC(=O)N[C@H](CN(C)C)c1ccccc1	ZINC000119290444	490451571	/nfs/dbraw/zinc/45/15/71/490451571.db2.gz	GBORSUNCJSHZQK-CYBMUJFWSA-N	0	3	245.326	1.222	10	30		BDEEHN
C[C@H]1C[C@@H](O)CN(Cc2ccc(C#N)cc2)C1	ZINC000334745250	518184885	/nfs/dbraw/zinc/18/48/85/518184885.db2.gz	DOPMWEQQMKDATC-SMDDNHRTSA-N	0	3	230.311	1.761	10	30		BDEEHN
C=CCCC[C@@H](C)NC(=O)[C@H](N)CCC	ZINC000183052575	534752629	/nfs/dbraw/zinc/75/26/29/534752629.db2.gz	ILPRHRFYJNRCHM-GHMZBOCLSA-N	0	3	212.337	1.975	10	30		BDEEHN
CCN1CCC[C@H]1CN(C)c1cncc(C#N)n1	ZINC000401339366	529099425	/nfs/dbraw/zinc/09/94/25/529099425.db2.gz	TXZWXODDPNFDKF-LBPRGKRZSA-N	0	3	245.330	1.269	10	30		BDEEHN
CC(C)(CCC#N)CN1CCC[C@@H]1C(N)=O	ZINC000179584707	534996571	/nfs/dbraw/zinc/99/65/71/534996571.db2.gz	MGPFKDOYZSUOCA-SNVBAGLBSA-N	0	3	223.320	1.266	10	30		BDEEHN
CNC(=O)[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C(C)C	ZINC000248896122	536383669	/nfs/dbraw/zinc/38/36/69/536383669.db2.gz	TWOAIUHCMYMJQH-IJLUTSLNSA-N	0	3	237.347	1.429	10	30		BDEEHN
CNCc1sc([C@H](O)CC#N)nc1C	ZINC000757132363	582506857	/nfs/dbraw/zinc/50/68/57/582506857.db2.gz	SVXOAOLKUYDIGK-SSDOTTSWSA-N	0	3	211.290	1.118	10	30		BDEEHN
N#C[C@@H]1CCCC[C@@H]1NC1CCS(=O)CC1	ZINC000229193632	640931550	/nfs/dbraw/zinc/93/15/50/640931550.db2.gz	HVANLRAOYVGZMC-IRDPIATMSA-N	0	3	240.372	1.569	10	30		BDEEHN
C#CCCNCc1cccc2c1OCO2	ZINC000069625486	642884839	/nfs/dbraw/zinc/88/48/39/642884839.db2.gz	HSMMUHUVYZGGRJ-UHFFFAOYSA-N	0	3	203.241	1.528	10	30		BDEEHN
CC1(O)CCC(N[C@@H]2CCC[C@H]2C#N)CC1	ZINC000705522830	712132461	/nfs/dbraw/zinc/13/24/61/712132461.db2.gz	AEWIBGASTTWNOJ-GMKTYKIGSA-N	0	3	222.332	1.962	10	30		BDEEHN
CC[C@H](C)[C@@H](N)C#CC(=O)OC(C)(C)C	ZINC000685953425	538898221	/nfs/dbraw/zinc/89/82/21/538898221.db2.gz	MKVHKXDMVNIYON-UWVGGRQHSA-N	0	3	211.305	1.705	10	30		BDEEHN
Cc1ccc(C#N)c(N[C@@H]2CCN(C)C2)c1	ZINC000051579735	178366245	/nfs/dbraw/zinc/36/62/45/178366245.db2.gz	DPWIITOMEIDPAT-GFCCVEGCSA-N	0	3	215.300	1.983	10	30		BDEEHN
NN=C(N)c1cccc(Br)c1	ZINC000042013327	361924960	/nfs/dbraw/zinc/92/49/60/361924960.db2.gz	RNLKFZFFHAQDQP-UHFFFAOYSA-N	0	3	214.066	1.028	10	30		BDEEHN
CNC(=NN)c1cccc(Br)c1	ZINC000042035274	361926743	/nfs/dbraw/zinc/92/67/43/361926743.db2.gz	MZKJHUMDDPAJFY-UHFFFAOYSA-N	0	3	228.093	1.289	10	30		BDEEHN
N#Cc1cc(F)ccc1N1CCN2CCC[C@H]2C1	ZINC000247249319	343400384	/nfs/dbraw/zinc/40/03/84/343400384.db2.gz	YSMIBPUPCBGBKV-ZDUSSCGKSA-N	0	3	245.301	1.982	10	30		BDEEHN
C=CCN1CCC(N(C)c2cccnn2)CC1	ZINC000105807002	136363443	/nfs/dbraw/zinc/36/34/43/136363443.db2.gz	SSPAMELEWLVNET-UHFFFAOYSA-N	0	3	232.331	1.563	10	30		BDEEHN
CCN1CCC[C@H]1CN(C)c1cc(C#N)ncn1	ZINC000310762282	343568132	/nfs/dbraw/zinc/56/81/32/343568132.db2.gz	KPGFAFYCABQLES-LBPRGKRZSA-N	0	3	245.330	1.269	10	30		BDEEHN
Cc1nccn1C[C@H]1CCCN1CCCC#N	ZINC000178284137	346951299	/nfs/dbraw/zinc/95/12/99/346951299.db2.gz	UFJDOHSBDCAJJB-CYBMUJFWSA-N	0	3	232.331	1.960	10	30		BDEEHN
Cc1nccn1CCN[C@@H]1CCCC[C@H]1C#N	ZINC000379918481	343655303	/nfs/dbraw/zinc/65/53/03/343655303.db2.gz	PJGWWPVWQAQRRD-QWHCGFSZSA-N	0	3	232.331	1.864	10	30		BDEEHN
Cc1nc(N)cc(N2CCC(C#N)CC2)n1	ZINC000409432204	343825784	/nfs/dbraw/zinc/82/57/84/343825784.db2.gz	VCMILLVOPLQQKG-UHFFFAOYSA-N	0	3	217.276	1.107	10	30		BDEEHN
N#Cc1ccc(N2CCN3CCC[C@H]3C2)nc1	ZINC000146473615	345714001	/nfs/dbraw/zinc/71/40/01/345714001.db2.gz	QOFHEAWVLDGZLI-LBPRGKRZSA-N	0	3	228.299	1.238	10	30		BDEEHN
C[C@@H]1C[C@@H](O)CN(CC2(CC#N)CC2)C1	ZINC000401518079	346765436	/nfs/dbraw/zinc/76/54/36/346765436.db2.gz	AFSRCWDPJYAHPM-GHMZBOCLSA-N	0	3	208.305	1.383	10	30		BDEEHN
C#CCN[C@@H]1C[C@@H](OCC)C12CCOCC2	ZINC000309968665	347206165	/nfs/dbraw/zinc/20/61/65/347206165.db2.gz	OLOSKECZEPHIQP-VXGBXAGGSA-N	0	3	223.316	1.183	10	30		BDEEHN
C[C@@H](NC(=O)[C@@H](N)CCCCC#N)C1CC1	ZINC000594426491	348052206	/nfs/dbraw/zinc/05/22/06/348052206.db2.gz	RUPPCVREHQDOQF-KOLCDFICSA-N	0	3	223.320	1.312	10	30		BDEEHN
CCC[C@@H]1C[C@@H]1NC(=O)[C@@H](N)CCCCC#N	ZINC000594445387	348055651	/nfs/dbraw/zinc/05/56/51/348055651.db2.gz	DZPRMIBNRZZCCG-WOPDTQHZSA-N	0	3	237.347	1.702	10	30		BDEEHN
N#Cc1ccc(CNC2CC(CO)C2)c(F)c1	ZINC000595000346	348168495	/nfs/dbraw/zinc/16/84/95/348168495.db2.gz	FQCHLKKVJXJDHQ-UHFFFAOYSA-N	0	3	234.274	1.558	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1NCC1(O)CCSCC1	ZINC000595480838	348252608	/nfs/dbraw/zinc/25/26/08/348252608.db2.gz	BBJBRPIZZPDZMN-QWRGUYRKSA-N	0	3	240.372	1.526	10	30		BDEEHN
CC[C@@H](CC#N)NCC1(O)CCSCC1	ZINC000595528777	348272549	/nfs/dbraw/zinc/27/25/49/348272549.db2.gz	FEDQGRLIFDTTML-JTQLQIEISA-N	0	3	228.361	1.526	10	30		BDEEHN
N#CCCCCOc1cc2c(cc1CN)OCO2	ZINC000042873972	187431320	/nfs/dbraw/zinc/43/13/20/187431320.db2.gz	ORZPDSIHTHMXRW-UHFFFAOYSA-N	0	3	248.282	1.947	10	30		BDEEHN
CC[C@](C)(N)C#Cc1cnc(OC)s1	ZINC000306682278	350838375	/nfs/dbraw/zinc/83/83/75/350838375.db2.gz	QTHNSSCKMDGFMK-JTQLQIEISA-N	0	3	210.302	1.631	10	30		BDEEHN
N#C[C@@H]1CCCC[C@@H]1NCCC1(O)CCC1	ZINC000397668305	350959461	/nfs/dbraw/zinc/95/94/61/350959461.db2.gz	MIABMHDQBJOZTK-RYUDHWBXSA-N	0	3	222.332	1.963	10	30		BDEEHN
CNC(=O)CCCN[C@H]1CCCC[C@@H]1C#N	ZINC000398385298	351128271	/nfs/dbraw/zinc/12/82/71/351128271.db2.gz	VWQBUCRLTKNGRS-MNOVXSKESA-N	0	3	223.320	1.185	10	30		BDEEHN
C=CCNC[C@H](O)COc1cccc(Cl)c1	ZINC000032100004	188059640	/nfs/dbraw/zinc/05/96/40/188059640.db2.gz	PQQORSXEVZMIOB-NSHDSACASA-N	0	3	241.718	1.855	10	30		BDEEHN
Cc1ccc(CN(C)CCC/C(N)=N/O)cc1	ZINC000020264643	188108784	/nfs/dbraw/zinc/10/87/84/188108784.db2.gz	VBYLJCODCKDWJH-UHFFFAOYSA-N	0	3	235.331	1.953	10	30		BDEEHN
CCCCCNC(=O)c1ccc(C#CCN)cc1	ZINC000037570083	168713501	/nfs/dbraw/zinc/71/35/01/168713501.db2.gz	KXLWXJMMPJWUJO-UHFFFAOYSA-N	0	3	244.338	1.917	10	30		BDEEHN
C#CCN1CCC(NCc2nc(C)cs2)CC1	ZINC000038091088	188177041	/nfs/dbraw/zinc/17/70/41/188177041.db2.gz	QQEUXKFQMOYMRS-UHFFFAOYSA-N	0	3	249.383	1.639	10	30		BDEEHN
C=C(C)COc1cc2c(cc1CN)OCO2	ZINC000042873751	188216931	/nfs/dbraw/zinc/21/69/31/188216931.db2.gz	DMCQLVYCHKLTHX-UHFFFAOYSA-N	0	3	221.256	1.829	10	30		BDEEHN
C=C[C@H](N)CC(=O)OCc1ccccc1	ZINC000090734306	188208634	/nfs/dbraw/zinc/20/86/34/188208634.db2.gz	NTUFPMQDCMGTCN-NSHDSACASA-N	0	3	205.257	1.633	10	30		BDEEHN
N#CCCN(C(=O)[C@@H]1CCCCN1)C1CC1	ZINC000038099428	181037295	/nfs/dbraw/zinc/03/72/95/181037295.db2.gz	CTRXUTGCWLZNHW-NSHDSACASA-N	0	3	221.304	1.033	10	30		BDEEHN
N#C[C@@H]1CCCC[C@@H]1NC1CCOCC1	ZINC000054825373	181059182	/nfs/dbraw/zinc/05/91/82/181059182.db2.gz	AUPAOICEMUUJJR-JQWIXIFHSA-N	0	3	208.305	1.837	10	30		BDEEHN
N#C[C@H]1CCC[C@@H]1NC1(CO)CCCC1	ZINC000054829825	181069240	/nfs/dbraw/zinc/06/92/40/181069240.db2.gz	BRDZCTZQOGVPHG-MNOVXSKESA-N	0	3	208.305	1.573	10	30		BDEEHN
N#Cc1ccc(CNC[C@H]2CCC[C@H]2O)s1	ZINC000135502249	181109629	/nfs/dbraw/zinc/10/96/29/181109629.db2.gz	UMROWLYEZZTIRF-BXKDBHETSA-N	0	3	236.340	1.870	10	30		BDEEHN
N#Cc1ccc2c(c1)[C@H](N)[C@H](O)CCC2	ZINC000039941538	181132651	/nfs/dbraw/zinc/13/26/51/181132651.db2.gz	BDNILGXQAQWVGW-NEPJUHHUSA-N	0	3	202.257	1.255	10	30		BDEEHN
N#Cc1ccc2c(c1)[C@@H](N)[C@@H](O)CCC2	ZINC000039941541	181132662	/nfs/dbraw/zinc/13/26/62/181132662.db2.gz	BDNILGXQAQWVGW-NWDGAFQWSA-N	0	3	202.257	1.255	10	30		BDEEHN
N#Cc1cccnc1[S@](=O)C[C@@H]1CCCCN1	ZINC000095073465	181154673	/nfs/dbraw/zinc/15/46/73/181154673.db2.gz	HETZIFPBQGMXCV-GTNSWQLSSA-N	0	3	249.339	1.203	10	30		BDEEHN
C=CCNCCOc1ccc(OC)cc1	ZINC000041582064	166398633	/nfs/dbraw/zinc/39/86/33/166398633.db2.gz	BUDGTENHPPFAQW-UHFFFAOYSA-N	0	3	207.273	1.850	10	30		BDEEHN
N#Cc1ccsc1NC(=O)C1(N)CCCC1	ZINC000040852064	181160790	/nfs/dbraw/zinc/16/07/90/181160790.db2.gz	PPWKWCALWWZOBA-UHFFFAOYSA-N	0	3	235.312	1.830	10	30		BDEEHN
N#Cc1ncccc1CNCC1CCC1	ZINC000061657327	181170123	/nfs/dbraw/zinc/17/01/23/181170123.db2.gz	ZEMSCNVUCCQXAF-UHFFFAOYSA-N	0	3	201.273	1.843	10	30		BDEEHN
CCOC1CC(N[C@H]2CCC[C@@H]2C#N)C1	ZINC000169197698	134249585	/nfs/dbraw/zinc/24/95/85/134249585.db2.gz	XKEKNPXIUOGCMH-YYJSSNLHSA-N	0	3	208.305	1.836	10	30		BDEEHN
CN(C)CC#CC#CCN1CCCCC1	ZINC000584623904	358291905	/nfs/dbraw/zinc/29/19/05/358291905.db2.gz	DYEARUJZAADFNY-UHFFFAOYSA-N	0	3	204.317	1.041	10	30		BDEEHN
N#C[C@H]1CCN(CCc2ccccc2)C[C@@H]1O	ZINC000584636426	358321178	/nfs/dbraw/zinc/32/11/78/358321178.db2.gz	DMDSRHXRNOWSTL-KGLIPLIRSA-N	0	3	230.311	1.435	10	30		BDEEHN
C[NH2+]CC/N=C/c1ccc(OC)cc1[O-]	ZINC000584638920	358324746	/nfs/dbraw/zinc/32/47/46/358324746.db2.gz	WTPFGPGHPAQMJQ-MDWZMJQESA-N	0	3	208.261	1.039	10	30		BDEEHN
N#CC1(C(=O)N2CCN3CCC[C@@H]3C2)CCCC1	ZINC000113163105	358447688	/nfs/dbraw/zinc/44/76/88/358447688.db2.gz	LPOXETJIYPCJHZ-GFCCVEGCSA-N	0	3	247.342	1.377	10	30		BDEEHN
N#CC1(C(=O)N2CCN3CCC[C@H]3C2)CCCC1	ZINC000113163110	358448099	/nfs/dbraw/zinc/44/80/99/358448099.db2.gz	LPOXETJIYPCJHZ-LBPRGKRZSA-N	0	3	247.342	1.377	10	30		BDEEHN
C=C(CS)CN1CCN(C)[C@H](C)C1	ZINC000299967018	358958680	/nfs/dbraw/zinc/95/86/80/358958680.db2.gz	UYKNBYMMRCDEBV-SNVBAGLBSA-N	0	3	200.351	1.108	10	30		BDEEHN
C=C(C)CN1C[C@H](C)[C@H](N2CCOCC2)C1	ZINC000246548331	359144967	/nfs/dbraw/zinc/14/49/67/359144967.db2.gz	TYPLBJMMKPVTOO-QWHCGFSZSA-N	0	3	224.348	1.215	10	30		BDEEHN
N#CCC[C@H](C#N)CN1CCN2CCCC[C@H]2C1	ZINC000246826602	359167339	/nfs/dbraw/zinc/16/73/39/359167339.db2.gz	NXOJPIQTFJWBIH-KGLIPLIRSA-N	0	3	246.358	1.600	10	30		BDEEHN
C#CCOc1cccc(CNC[C@H]2CCCO2)c1	ZINC000045945693	359746092	/nfs/dbraw/zinc/74/60/92/359746092.db2.gz	UNUNWBPCYRRTAX-OAHLLOKOSA-N	0	3	245.322	1.967	10	30		BDEEHN
CC#CC[C@H](N)c1cnn(C)c1Br	ZINC000306478114	360125127	/nfs/dbraw/zinc/12/51/27/360125127.db2.gz	ZFYOMUAYLJXNAU-QMMMGPOBSA-N	0	3	242.120	1.596	10	30		BDEEHN
C#CCNc1cc(N)ncc1Br	ZINC000306554782	360427760	/nfs/dbraw/zinc/42/77/60/360427760.db2.gz	LOQDUBFIPKCUMP-UHFFFAOYSA-N	0	3	226.077	1.471	10	30		BDEEHN
N=C(N)Nc1ncc(C(F)(F)F)cc1Cl	ZINC000013436511	181324614	/nfs/dbraw/zinc/32/46/14/181324614.db2.gz	DTNJKRCFOIHMNJ-UHFFFAOYSA-N	0	3	238.600	1.659	10	30		BDEEHN
NCC#Cc1ccc(COC2CCOCC2)cc1	ZINC000049611156	181346104	/nfs/dbraw/zinc/34/61/04/181346104.db2.gz	UPQAOIOOBNIRJG-UHFFFAOYSA-N	0	3	245.322	1.692	10	30		BDEEHN
NCC#Cc1ccc(COC[C@H]2CCOC2)cc1	ZINC000049691101	181345895	/nfs/dbraw/zinc/34/58/95/181345895.db2.gz	XPYQLHGPJCYJGZ-HNNXBMFYSA-N	0	3	245.322	1.550	10	30		BDEEHN
NCC#Cc1ccc(F)cc1C(=O)NC1CC1	ZINC000037569872	181346418	/nfs/dbraw/zinc/34/64/18/181346418.db2.gz	OBDJEUJIAYRWKO-UHFFFAOYSA-N	0	3	232.258	1.028	10	30		BDEEHN
NCC#Cc1ccc(C(=O)NC2CCCC2)cc1	ZINC000037569882	181346481	/nfs/dbraw/zinc/34/64/81/181346481.db2.gz	QWCUXGZRHLUXBO-UHFFFAOYSA-N	0	3	242.322	1.669	10	30		BDEEHN
N#C[C@H]1CCC[C@H]1N[C@@H]1CCCC[C@H]1O	ZINC000054829513	369101671	/nfs/dbraw/zinc/10/16/71/369101671.db2.gz	DTJRSZAKDHUXQH-DDHJBXDOSA-N	0	3	208.305	1.572	10	30		BDEEHN
C=C(C)CNC(=O)N[C@H](CC(C)C)CN(C)C	ZINC000156869888	326245724	/nfs/dbraw/zinc/24/57/24/326245724.db2.gz	VEGXFJBSYMIDQR-GFCCVEGCSA-N	0	3	241.379	1.838	10	30		BDEEHN
C=CCCCN1CC[C@H]2OCCN[C@@H]2C1	ZINC000404079317	369418662	/nfs/dbraw/zinc/41/86/62/369418662.db2.gz	OTHUZUCDTGCGSU-VXGBXAGGSA-N	0	3	210.321	1.015	10	30		BDEEHN
CCC[C@@H](N)C(=O)N1Cc2cccc(C#N)c2C1	ZINC000405080135	369444437	/nfs/dbraw/zinc/44/44/37/369444437.db2.gz	FQDVJZGDIMLESD-CYBMUJFWSA-N	0	3	243.310	1.528	10	30		BDEEHN
C=CCN1C(=O)C[C@@H]2[C@H]1CCN2Cc1ccco1	ZINC000248025970	259546170	/nfs/dbraw/zinc/54/61/70/259546170.db2.gz	WGCMFQXHOACCJP-CHWSQXEVSA-N	0	3	246.310	1.641	10	30		BDEEHN
CCN1CCC[C@H]1CN(C)c1cnc(C#N)cn1	ZINC000092631293	371107000	/nfs/dbraw/zinc/10/70/00/371107000.db2.gz	SXDRHNBFIIAJJE-LBPRGKRZSA-N	0	3	245.330	1.269	10	30		BDEEHN
C=C([C@H](N)[C@@H]1OCC[C@H]1C)C(F)(F)F	ZINC000307759508	372145963	/nfs/dbraw/zinc/14/59/63/372145963.db2.gz	RXDPDZGADJTTDC-MHSYXAOVSA-N	0	3	209.211	1.857	10	30		BDEEHN
Cc1cc(Br)ccc1C(N)=NN	ZINC000042038669	374234255	/nfs/dbraw/zinc/23/42/55/374234255.db2.gz	AWMBOUPKDOGLQK-UHFFFAOYSA-N	0	3	228.093	1.337	10	30		BDEEHN
CC[C@@](C)(N)C#Cc1csc(OC)n1	ZINC000306684317	383877572	/nfs/dbraw/zinc/87/75/72/383877572.db2.gz	ZNYKEBXNUCJVQZ-SNVBAGLBSA-N	0	3	210.302	1.631	10	30		BDEEHN
N#Cc1ccc(CNCC2CC(O)C2)o1	ZINC000135560403	384177158	/nfs/dbraw/zinc/17/71/58/384177158.db2.gz	RGEVIAOKOZSXMU-UHFFFAOYSA-N	0	3	206.245	1.012	10	30		BDEEHN
CC[C@H](O)CN1CCN(CCCCC#N)CC1	ZINC000174090609	384299431	/nfs/dbraw/zinc/29/94/31/384299431.db2.gz	SNPDQMICGBDXEX-ZDUSSCGKSA-N	0	3	239.363	1.069	10	30		BDEEHN
C#CC[C@H](N)c1c(Br)cnn1C	ZINC000575483210	387181226	/nfs/dbraw/zinc/18/12/26/387181226.db2.gz	OJNTURRIWCOUHA-ZETCQYMHSA-N	0	3	228.093	1.206	10	30		BDEEHN
CCC[C@H](C(=O)N(CC)C[C@H](C)C#N)N(C)C	ZINC000161632039	387244979	/nfs/dbraw/zinc/24/49/79/387244979.db2.gz	AOGDIQXOSMEFKU-VXGBXAGGSA-N	0	3	239.363	1.725	10	30		BDEEHN
C[C@H]1C[C@](C#N)(NCc2ccccc2)CCN1	ZINC000575513097	387384272	/nfs/dbraw/zinc/38/42/72/387384272.db2.gz	ZHEMFRJBCDWJDG-GXTWGEPZSA-N	0	3	229.327	1.810	10	30		BDEEHN
C[C@H]1CSC(NCC2SCCS2)=N1	ZINC000575498161	387329124	/nfs/dbraw/zinc/32/91/24/387329124.db2.gz	UEQODXJTOPXPGD-LURJTMIESA-N	0	3	234.415	1.873	10	30		BDEEHN
N#CCCCN1CCC(c2cc[nH]n2)CC1	ZINC000195505740	387918258	/nfs/dbraw/zinc/91/82/58/387918258.db2.gz	WAMJHAMHRZTVPV-UHFFFAOYSA-N	0	3	218.304	1.893	10	30		BDEEHN
C#CCN1CCN(CCOCC)[C@@H](CC)C1	ZINC000105837827	387931366	/nfs/dbraw/zinc/93/13/66/387931366.db2.gz	CDTWUDDOSGXEIV-ZDUSSCGKSA-N	0	3	224.348	1.052	10	30		BDEEHN
N#Cc1ccc(CN2CCN3CCC[C@H]3C2)o1	ZINC000245765091	388432078	/nfs/dbraw/zinc/43/20/78/388432078.db2.gz	QNUFGWUJETZUDU-NSHDSACASA-N	0	3	231.299	1.431	10	30		BDEEHN
C=CCN(C)C(=O)N[C@H]1CCCN(CC)C1	ZINC000187068481	388606541	/nfs/dbraw/zinc/60/65/41/388606541.db2.gz	ALHIIMXPZUCFKU-NSHDSACASA-N	0	3	225.336	1.298	10	30		BDEEHN
Cc1cc(C)c(C#N)c(N2C[C@@H](C)N[C@H](C)C2)n1	ZINC000053712221	132363701	/nfs/dbraw/zinc/36/37/01/132363701.db2.gz	HOKBAMPKZHOJNP-VXGBXAGGSA-N	0	3	244.342	1.757	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1N[C@@H]1CCCC[C@@H]1O	ZINC000226618793	134368188	/nfs/dbraw/zinc/36/81/88/134368188.db2.gz	DTJRSZAKDHUXQH-YFKTTZPYSA-N	0	3	208.305	1.572	10	30		BDEEHN
N#CCCN1CCC[C@@H]1[C@@H]1CCCC[C@H]1O	ZINC000337273397	135009728	/nfs/dbraw/zinc/00/97/28/135009728.db2.gz	CRSLVKIMANTPJJ-YNEHKIRRSA-N	0	3	222.332	1.916	10	30		BDEEHN
C[C@H](C#N)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1	ZINC000248471775	135011752	/nfs/dbraw/zinc/01/17/52/135011752.db2.gz	VWFFZQWZGSAKTG-MBNYWOFBSA-N	0	3	233.359	1.847	10	30		BDEEHN
C#CCNCCN1CCc2sccc2[C@@H]1C	ZINC000053391552	166187144	/nfs/dbraw/zinc/18/71/44/166187144.db2.gz	WJCFOEZXEBQHQB-NSHDSACASA-N	0	3	234.368	1.890	10	30		BDEEHN
C#CCNCCSc1ncnc2ccccc21	ZINC000053623419	166188040	/nfs/dbraw/zinc/18/80/40/166188040.db2.gz	YWIHBSCRACGWKE-UHFFFAOYSA-N	0	3	243.335	1.945	10	30		BDEEHN
C#CC[C@H](N)C(=O)NCCC1=CCCCC1	ZINC000083350594	166206478	/nfs/dbraw/zinc/20/64/78/166206478.db2.gz	CSGCJRYSOZMVGE-LBPRGKRZSA-N	0	3	220.316	1.344	10	30		BDEEHN
C#Cc1cccc(NC(=O)[C@H](C)NC)c1	ZINC000054071790	166222446	/nfs/dbraw/zinc/22/24/46/166222446.db2.gz	DRQAXFIBXNFGMB-VIFPVBQESA-N	0	3	202.257	1.214	10	30		BDEEHN
C=CCOc1ccc(C=NNC(=N)N)cc1OC	ZINC000035729959	166424333	/nfs/dbraw/zinc/42/43/33/166424333.db2.gz	FTLQBOLAVCCDQI-NVNXTCNLSA-N	0	3	248.286	1.077	10	30		BDEEHN
CC(C)NC(=O)NCc1ccccc1C#CCN	ZINC000049587488	167074687	/nfs/dbraw/zinc/07/46/87/167074687.db2.gz	FSWZQLORXMGYRC-UHFFFAOYSA-N	0	3	245.326	1.204	10	30		BDEEHN
CC(C)NCC(=O)NCc1cccc(C#N)c1	ZINC000037748697	167096617	/nfs/dbraw/zinc/09/66/17/167096617.db2.gz	LXKCSNYXILMZDS-UHFFFAOYSA-N	0	3	231.299	1.172	10	30		BDEEHN
CCOC(=O)N[C@@H](C)c1ccc(C#CCN)cc1	ZINC000049587414	170242652	/nfs/dbraw/zinc/24/26/52/170242652.db2.gz	CVXQEFHQFTWCKN-NSHDSACASA-N	0	3	246.310	1.804	10	30		BDEEHN
CCOC(=O)Nc1ccc(C)cc1C#CCN	ZINC000037552816	170243981	/nfs/dbraw/zinc/24/39/81/170243981.db2.gz	UEUFXSXYMDPBDN-UHFFFAOYSA-N	0	3	232.283	1.874	10	30		BDEEHN
CC[C@@H](N)C(=O)N(C)c1ccc(C#N)cc1	ZINC000061980650	170861412	/nfs/dbraw/zinc/86/14/12/170861412.db2.gz	OGGUJFHEJWKIQZ-LLVKDONJSA-N	0	3	217.272	1.258	10	30		BDEEHN
CC[C@H](C)[C@H](N)C(=O)N(CCC#N)CC(C)C	ZINC000037822624	171394109	/nfs/dbraw/zinc/39/41/09/171394109.db2.gz	RFFQNNGFJNKFAD-RYUDHWBXSA-N	0	3	239.363	1.758	10	30		BDEEHN
C=CCC1(NC(=O)[C@@H](C)NC)CCCC1	ZINC000662889472	412337692	/nfs/dbraw/zinc/33/76/92/412337692.db2.gz	WTWMQFXXLMUDHD-SNVBAGLBSA-N	0	3	210.321	1.599	10	30		BDEEHN
CN(Cc1ccccc1C#CCN)C(=O)C1CC1	ZINC000049586831	172874231	/nfs/dbraw/zinc/87/42/31/172874231.db2.gz	CNCGVGFJNSOCCJ-UHFFFAOYSA-N	0	3	242.322	1.365	10	30		BDEEHN
CN1CCCN([C@@H]2CCC[C@@H]2C#N)CC1	ZINC000037146662	173017677	/nfs/dbraw/zinc/01/76/77/173017677.db2.gz	HHWUJBYNDXEPSC-VXGBXAGGSA-N	0	3	207.321	1.316	10	30		BDEEHN
CN1CC[C@@H](Nc2ncccc2C#N)C1	ZINC000042375244	173125071	/nfs/dbraw/zinc/12/50/71/173125071.db2.gz	PGCJYEOKGLJKKT-SNVBAGLBSA-N	0	3	202.261	1.069	10	30		BDEEHN
CNC(C)(C)C(=O)Nc1cccc(F)c1C#N	ZINC000061300530	173318896	/nfs/dbraw/zinc/31/88/96/173318896.db2.gz	NJYMMYAJGOFZIS-UHFFFAOYSA-N	0	3	235.262	1.634	10	30		BDEEHN
CNCc1nc(-c2ccc(C#N)cc2)c[nH]1	ZINC000036877300	173397562	/nfs/dbraw/zinc/39/75/62/173397562.db2.gz	VHPMOGMENBLGGJ-UHFFFAOYSA-N	0	3	212.256	1.668	10	30		BDEEHN
C[C@@H]1CNC[C@@H](c2ccc(C#N)cc2)O1	ZINC000036986380	176329201	/nfs/dbraw/zinc/32/92/01/176329201.db2.gz	OSUKNIZYVKSGHG-SKDRFNHKSA-N	0	3	202.257	1.608	10	30		BDEEHN
C[C@H]1CN(Cc2ccccc2C#CCN)CCO1	ZINC000049608490	177266087	/nfs/dbraw/zinc/26/60/87/177266087.db2.gz	KRYSPWDAELHVAD-ZDUSSCGKSA-N	0	3	244.338	1.218	10	30		BDEEHN
CCC(C#N)(CC)C(=O)N1CC[C@H](N(C)C)C1	ZINC000110250212	323115269	/nfs/dbraw/zinc/11/52/69/323115269.db2.gz	RKEIDWAHHKDGFU-NSHDSACASA-N	0	3	237.347	1.479	10	30		BDEEHN
CC1CC(C#N)(C(=O)N2CC[C@H](N(C)C)C2)C1	ZINC000122370912	324041790	/nfs/dbraw/zinc/04/17/90/324041790.db2.gz	ZVVTYBPKQKLFST-AKJDGMEZSA-N	0	3	235.331	1.089	10	30		BDEEHN
COCC#CCN1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000677820419	487517998	/nfs/dbraw/zinc/51/79/98/487517998.db2.gz	MRVMIFSBMVKRNA-KGLIPLIRSA-N	0	3	237.343	1.263	10	30		BDEEHN
C=CCCOCCNCc1cnn(C)c1C	ZINC000120808354	534776864	/nfs/dbraw/zinc/77/68/64/534776864.db2.gz	MMZUOCUIWCCVRV-UHFFFAOYSA-N	0	3	223.320	1.411	10	30		BDEEHN
C#C[C@H](NC[C@H](O)COCCCC)C(C)C	ZINC000300905908	527409770	/nfs/dbraw/zinc/40/97/70/527409770.db2.gz	LKJZHEAEUVLUCT-STQMWFEESA-N	0	3	227.348	1.411	10	30		BDEEHN
CN1CCC(C(=O)N[C@@H]2CCC[C@H]2C#N)CC1	ZINC000259958477	536334294	/nfs/dbraw/zinc/33/42/94/536334294.db2.gz	SGGNGOWRTXDNHF-NWDGAFQWSA-N	0	3	235.331	1.137	10	30		BDEEHN
C#CCCCNC(=O)[C@@H](CCC)N(C)C	ZINC000179467948	632716789	/nfs/dbraw/zinc/71/67/89/632716789.db2.gz	FGFFYFFVYLHUSV-LLVKDONJSA-N	0	3	210.321	1.246	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1NCCCCCCO	ZINC000236499683	632952459	/nfs/dbraw/zinc/95/24/59/632952459.db2.gz	NKJGGHMVOGOLCQ-RYUDHWBXSA-N	0	3	210.321	1.821	10	30		BDEEHN
CC(=O)[C@H]1CCCN(CC2(CC#N)CC2)C1	ZINC000083854525	644411117	/nfs/dbraw/zinc/41/11/17/644411117.db2.gz	FWBORTOUNTXUFH-LBPRGKRZSA-N	0	3	220.316	1.981	10	30		BDEEHN
CCC#C[C@@H](C)N[C@H]1CCC(=O)NC1(C)C	ZINC000390615799	488170070	/nfs/dbraw/zinc/17/00/70/488170070.db2.gz	GVAIMHPOTIWBTI-MNOVXSKESA-N	0	3	222.332	1.435	10	30		BDEEHN
Cc1cc(NC(=O)NC(C)C)ccc1C#CCN	ZINC000037552800	178137479	/nfs/dbraw/zinc/13/74/79/178137479.db2.gz	IDEBUBRMAHRRBV-UHFFFAOYSA-N	0	3	245.326	1.835	10	30		BDEEHN
CN1CCNC[C@H]1c1cccc(C#N)c1	ZINC000616637767	398214043	/nfs/dbraw/zinc/21/40/43/398214043.db2.gz	QHAUSGBWUPRTHW-LBPRGKRZSA-N	0	3	201.273	1.134	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1NC1CCN(C2CC2)CC1	ZINC000310323441	136220580	/nfs/dbraw/zinc/22/05/80/136220580.db2.gz	ZMWOHVNIKOYKLY-FZMZJTMJSA-N	0	3	233.359	1.895	10	30		BDEEHN
C#CCNCCN1CCc2ccccc21	ZINC000053344393	166186639	/nfs/dbraw/zinc/18/66/39/166186639.db2.gz	GWGMHPNYMQFNCL-UHFFFAOYSA-N	0	3	200.285	1.272	10	30		BDEEHN
C#CCNC[C@@H](C)n1ncc2ccccc21	ZINC000053536775	166188035	/nfs/dbraw/zinc/18/80/35/166188035.db2.gz	PPPQDKGHWINRFD-LLVKDONJSA-N	0	3	213.284	1.820	10	30		BDEEHN
C=CCN(CC=C)c1cc(N)nc(C)n1	ZINC000409428502	343803796	/nfs/dbraw/zinc/80/37/96/343803796.db2.gz	GLUBKUHBZIJKNX-UHFFFAOYSA-N	0	3	204.277	1.546	10	30		BDEEHN
C#CCn1nc(-c2ccsc2)cc1CN	ZINC000409443695	343862375	/nfs/dbraw/zinc/86/23/75/343862375.db2.gz	RSZRGSMICINSMH-UHFFFAOYSA-N	0	3	217.297	1.704	10	30		BDEEHN
CC[C@](C)(N)C#Cc1csc(OC)n1	ZINC000306684316	343865957	/nfs/dbraw/zinc/86/59/57/343865957.db2.gz	ZNYKEBXNUCJVQZ-JTQLQIEISA-N	0	3	210.302	1.631	10	30		BDEEHN
C#C[C@]1(O)CCN(Cc2ccccc2)C1	ZINC000307485107	343933822	/nfs/dbraw/zinc/93/38/22/343933822.db2.gz	BONFYSFFGKUMLT-ZDUSSCGKSA-N	0	3	201.269	1.257	10	30		BDEEHN
COC1CC(N[C@H]2CCCC[C@H]2C#N)C1	ZINC000234739831	344237838	/nfs/dbraw/zinc/23/78/38/344237838.db2.gz	RXJBHUNCNHPGLD-XKGSQUFQSA-N	0	3	208.305	1.836	10	30		BDEEHN
CCN1CCC[C@H]1CN(C)c1cnccc1C#N	ZINC000135614402	344805288	/nfs/dbraw/zinc/80/52/88/344805288.db2.gz	XPWMVSZCZSSUGM-ZDUSSCGKSA-N	0	3	244.342	1.874	10	30		BDEEHN
C#C[C@@H](C)NCCNC(=O)OC(C)(C)C	ZINC000166514292	344918242	/nfs/dbraw/zinc/91/82/42/344918242.db2.gz	LGBGZTTYJCUAJM-SECBINFHSA-N	0	3	212.293	1.122	10	30		BDEEHN
CC(C#N)C(=O)N[C@H](C)COCc1ccccc1	ZINC000345617061	365902574	/nfs/dbraw/zinc/90/25/74/365902574.db2.gz	YGXAXOCDRPFBDR-VXGBXAGGSA-N	0	3	246.310	1.868	10	30		BDEEHN
CCC[C@H](O)CN[C@@H]1CCCC[C@H]1C#N	ZINC000253011326	347870417	/nfs/dbraw/zinc/87/04/17/347870417.db2.gz	CIIPMDOWIZICCM-SDDRHHMPSA-N	0	3	210.321	1.819	10	30		BDEEHN
N#Cc1cc(CN)cc(OC(F)(F)F)c1	ZINC000616575661	349093049	/nfs/dbraw/zinc/09/30/49/349093049.db2.gz	GIHZGXUTTBCCQU-UHFFFAOYSA-N	0	3	216.162	1.916	10	30		BDEEHN
CCN1CC[C@@H](NC(=O)C2(C#N)CCCC2)C1	ZINC000334579764	350699555	/nfs/dbraw/zinc/69/95/55/350699555.db2.gz	OTLCLPPTOUYUBG-LLVKDONJSA-N	0	3	235.331	1.281	10	30		BDEEHN
N#Cc1ccc([C@@H]2CCN(CCO)C2)cc1	ZINC000616614323	350832058	/nfs/dbraw/zinc/83/20/58/350832058.db2.gz	HPAWQBGZXSRUGX-CYBMUJFWSA-N	0	3	216.284	1.340	10	30		BDEEHN
C=C(CS)CN1C[C@H](C)N(C)[C@@H](C)C1	ZINC000231633374	350991079	/nfs/dbraw/zinc/99/10/79/350991079.db2.gz	WVKIGHQJOJTXDM-QWRGUYRKSA-N	0	3	214.378	1.497	10	30		BDEEHN
C=C(CS)CN1CC[C@@H](C)[C@@H](O)C1	ZINC000231633452	350991190	/nfs/dbraw/zinc/99/11/90/350991190.db2.gz	MPIRDIGPLDCQDE-ZJUUUORDSA-N	0	3	201.335	1.175	10	30		BDEEHN
CCCCCCCCOCC[C@@H](NC)C(N)=O	ZINC000103782838	168653873	/nfs/dbraw/zinc/65/38/73/168653873.db2.gz	KHVISSRWOAMICO-GFCCVEGCSA-N	0	3	244.379	1.827	10	30		BDEEHN
N#Cc1cccc([C@H]2CCOCCN2)c1	ZINC000616659772	351207804	/nfs/dbraw/zinc/20/78/04/351207804.db2.gz	PGMNEGOIBYORFH-GFCCVEGCSA-N	0	3	202.257	1.609	10	30		BDEEHN
CCN(C[C@@H](C)C#N)C[C@@H]1CCCN1C	ZINC000386652490	363024561	/nfs/dbraw/zinc/02/45/61/363024561.db2.gz	BWYACLFTDSXBRG-RYUDHWBXSA-N	0	3	209.337	1.562	10	30		BDEEHN
C#CCCNc1cc(N)ncc1Br	ZINC000307219336	351619015	/nfs/dbraw/zinc/61/90/15/351619015.db2.gz	HBVDXAZDUNISAK-UHFFFAOYSA-N	0	3	240.104	1.862	10	30		BDEEHN
O=C[C@@H]1CCCN(CC2CC(F)(F)C2)C1	ZINC000307254210	351788077	/nfs/dbraw/zinc/78/80/77/351788077.db2.gz	XDFPEGKODXKZFY-SECBINFHSA-N	0	3	217.259	1.943	10	30		BDEEHN
Cn1ccnc1NCc1cccc(C#N)c1	ZINC000050605987	180752835	/nfs/dbraw/zinc/75/28/35/180752835.db2.gz	PLFADYXXXLLEHJ-UHFFFAOYSA-N	0	3	212.256	1.904	10	30		BDEEHN
C=CCCC(C)(C)CNC(=O)[C@@H](C)NC	ZINC000638867074	353041118	/nfs/dbraw/zinc/04/11/18/353041118.db2.gz	ZLDSQEFUJONAAV-SNVBAGLBSA-N	0	3	212.337	1.703	10	30		BDEEHN
CC(C)C[C@H](N)C(=O)Nc1ccccc1C#N	ZINC000011961655	188104768	/nfs/dbraw/zinc/10/47/68/188104768.db2.gz	RSLAVMNJPWVTPR-NSHDSACASA-N	0	3	231.299	1.870	10	30		BDEEHN
C=C(Br)Cn1cc(CNCC)cn1	ZINC000073711521	188114865	/nfs/dbraw/zinc/11/48/65/188114865.db2.gz	VQADYMDHZVNJLR-UHFFFAOYSA-N	0	3	244.136	1.901	10	30		BDEEHN
CC(C)N(C)Cc1ccc(F)cc1/C(N)=N/O	ZINC000071266728	188130532	/nfs/dbraw/zinc/13/05/32/188130532.db2.gz	WQVUJOQSJNLESR-UHFFFAOYSA-N	0	3	239.294	1.760	10	30		BDEEHN
C#Cc1cccc(N[C@H]2CCN(C)C2)c1	ZINC000061984465	188183438	/nfs/dbraw/zinc/18/34/38/188183438.db2.gz	JRLBNCTUYAQQJF-ZDUSSCGKSA-N	0	3	200.285	1.784	10	30		BDEEHN
N#Cc1cnccc1[C@H]1CCNC[C@H]1F	ZINC000098091645	188190890	/nfs/dbraw/zinc/19/08/90/188190890.db2.gz	LOHFWBVSRHAFSN-GHMZBOCLSA-N	0	3	205.236	1.368	10	30		BDEEHN
C#CCSCCNC(=O)[C@@H](CCC)N(C)C	ZINC000163240445	353347782	/nfs/dbraw/zinc/34/77/82/353347782.db2.gz	BUVBUBCUQBAXAU-LLVKDONJSA-N	0	3	242.388	1.199	10	30		BDEEHN
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C[C@@H]1NC(=O)CC[C@H]1NCc1ccc(C#N)s1	ZINC000282466225	388816560	/nfs/dbraw/zinc/81/65/60/388816560.db2.gz	UJEAGQBGCWKNKG-GZMMTYOYSA-N	0	3	249.339	1.376	10	30		BDEEHN
C=CCOc1ccc(N2CCNCC2)cc1	ZINC000019688476	132249838	/nfs/dbraw/zinc/24/98/38/132249838.db2.gz	ZETSZLGQRRWLPV-UHFFFAOYSA-N	0	3	218.300	1.661	10	30		BDEEHN
C#CCCCCC(=O)N1CCCN(C2CC2)CC1	ZINC000179897765	134324739	/nfs/dbraw/zinc/32/47/39/134324739.db2.gz	QSTIXNZECBFACD-UHFFFAOYSA-N	0	3	248.370	1.877	10	30		BDEEHN
C=C(C)C[C@@H](C)C(=O)N1CCN2CCC[C@@H]2C1	ZINC000185519145	134381497	/nfs/dbraw/zinc/38/14/97/134381497.db2.gz	BPZWQLRSRBGXPJ-CHWSQXEVSA-N	0	3	236.359	1.895	10	30		BDEEHN
C=CCN(CC(F)(F)F)C(=O)[C@@H](C)NC	ZINC000655430029	410248367	/nfs/dbraw/zinc/24/83/67/410248367.db2.gz	XIEMUAOKWYNORL-SSDOTTSWSA-N	0	3	224.226	1.171	10	30		BDEEHN
C#Cc1cccc(NC(=O)[C@H](N)CCC)c1	ZINC000036873009	166222168	/nfs/dbraw/zinc/22/21/68/166222168.db2.gz	UYIGOLVMTAAQLV-GFCCVEGCSA-N	0	3	216.284	1.734	10	30		BDEEHN
C=CCNC(=O)[C@H](C)N[C@H]1CCc2ccccc21	ZINC000035180611	166388670	/nfs/dbraw/zinc/38/86/70/166388670.db2.gz	JYVILIIJQQZTAC-FZMZJTMJSA-N	0	3	244.338	1.954	10	30		BDEEHN
CC(C)CN[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000037946187	167013020	/nfs/dbraw/zinc/01/30/20/167013020.db2.gz	WYOHNCDZWQOAHO-LBPRGKRZSA-N	0	3	231.299	1.330	10	30		BDEEHN
CC(C)N1CCNC[C@H]1c1ccc(C#N)cc1	ZINC000616637734	411407136	/nfs/dbraw/zinc/40/71/36/411407136.db2.gz	PZJAEWRPXGTSIO-AWEZNQCLSA-N	0	3	229.327	1.913	10	30		BDEEHN
CCOC(=O)NCc1cccc(C#CCN)c1	ZINC000049587508	170242775	/nfs/dbraw/zinc/24/27/75/170242775.db2.gz	SKBBPRZZUASNAF-UHFFFAOYSA-N	0	3	232.283	1.243	10	30		BDEEHN
CC[C@H](C)[C@H](N)C(=O)N1CCCC[C@H]1C#N	ZINC000026656561	171394087	/nfs/dbraw/zinc/39/40/87/171394087.db2.gz	MXPSDAWSHGXASH-DCAQKATOSA-N	0	3	223.320	1.264	10	30		BDEEHN
C=CCOCCCNC(=O)[C@]1(C)CCCCN1	ZINC000662664340	412263117	/nfs/dbraw/zinc/26/31/17/412263117.db2.gz	RTFLUAAGQVMVGH-ZDUSSCGKSA-N	0	3	240.347	1.228	10	30		BDEEHN
C=CC[C@@H]1CCCN(C(=O)[C@@H](N)CCC)C1	ZINC000662634700	412251162	/nfs/dbraw/zinc/25/11/62/412251162.db2.gz	IFZMOCKZIYIAOQ-NEPJUHHUSA-N	0	3	224.348	1.929	10	30		BDEEHN
CN(C)C(C)(C)CNCc1ccccc1C#N	ZINC000049854968	172394669	/nfs/dbraw/zinc/39/46/69/172394669.db2.gz	XHZDAZDFQLKKMK-UHFFFAOYSA-N	0	3	231.343	1.988	10	30		BDEEHN
CN1CC[C@H](NCc2cc(C#N)ccc2F)C1	ZINC000042547472	173152614	/nfs/dbraw/zinc/15/26/14/173152614.db2.gz	PPHQACKHGMKURY-LBPRGKRZSA-N	0	3	233.290	1.491	10	30		BDEEHN
CN1CC[C@H](Nc2ccc(CC#N)cc2)C1	ZINC000061986483	173154240	/nfs/dbraw/zinc/15/42/40/173154240.db2.gz	PXTLLIWYSUZPPJ-ZDUSSCGKSA-N	0	3	215.300	1.869	10	30		BDEEHN
COCCC(=O)Nc1ccc(C#CCN)c(C)c1	ZINC000053732036	174135943	/nfs/dbraw/zinc/13/59/43/174135943.db2.gz	OFPJAKYQEKQBHX-UHFFFAOYSA-N	0	3	246.310	1.280	10	30		BDEEHN
COc1cc([C@@H](C#N)NCCN(C)C)ccc1O	ZINC000037940779	175013486	/nfs/dbraw/zinc/01/34/86/175013486.db2.gz	OYVDPOYNTIVTQT-LLVKDONJSA-N	0	3	249.314	1.117	10	30		BDEEHN
COc1ccc(CN(C)C2CC2)cc1C#CCO	ZINC000049617406	175094749	/nfs/dbraw/zinc/09/47/49/175094749.db2.gz	JGTSARJNBNPNPH-UHFFFAOYSA-N	0	3	245.322	1.633	10	30		BDEEHN
COc1ccc(COC(C)C)cc1C#CCN	ZINC000049610745	175113747	/nfs/dbraw/zinc/11/37/47/175113747.db2.gz	RWNCQCQGVUTOTE-UHFFFAOYSA-N	0	3	233.311	1.930	10	30		BDEEHN
COc1ccccc1[C@H](CN)N(C)C[C@H](C)C#N	ZINC000043098319	175353270	/nfs/dbraw/zinc/35/32/70/175353270.db2.gz	XEWOOAFJPLDRSA-YPMHNXCESA-N	0	3	247.342	1.786	10	30		BDEEHN
C[C@@H](S)[C@@H]1NCCc2cc(O)ccc21	ZINC000083660567	176007222	/nfs/dbraw/zinc/00/72/22/176007222.db2.gz	KMIHISHJGUSROS-HQJQHLMTSA-N	0	3	209.314	1.897	10	30		BDEEHN
C[C@@H]1COCCN1Cc1ccc(C#CCN)cc1	ZINC000049609129	176337488	/nfs/dbraw/zinc/33/74/88/176337488.db2.gz	YHNMSIIBHIZJCM-CYBMUJFWSA-N	0	3	244.338	1.218	10	30		BDEEHN
C[C@@H]1C[C@@H](N(C)c2nccc(C#N)n2)CCN1C	ZINC000297133089	176371886	/nfs/dbraw/zinc/37/18/86/176371886.db2.gz	NCOOXKJQOQEDEH-PWSUYJOCSA-N	0	3	245.330	1.267	10	30		BDEEHN
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C#CCN)cc1F	ZINC000037551353	176387330	/nfs/dbraw/zinc/38/73/30/176387330.db2.gz	AENNFXABUQRQIR-KOLCDFICSA-N	0	3	246.285	1.730	10	30		BDEEHN
C[C@H]1C[C@@H]1NC(=O)c1cc(F)ccc1C#CCN	ZINC000052299604	177347755	/nfs/dbraw/zinc/34/77/55/177347755.db2.gz	LMCFHQIIMRLELQ-ZANVPECISA-N	0	3	246.285	1.274	10	30		BDEEHN
N#Cc1ccc(CNC[C@H]2CCC[C@H]2O)cc1F	ZINC000404053645	229362985	/nfs/dbraw/zinc/36/29/85/229362985.db2.gz	GBZJOVUYMREUSL-TZMCWYRMSA-N	0	3	248.301	1.948	10	30		BDEEHN
CC#CCNC(=O)N(C)C[C@H]1CCCN1CC	ZINC000136009434	323180738	/nfs/dbraw/zinc/18/07/38/323180738.db2.gz	TZZBPVVKNZEGPX-GFCCVEGCSA-N	0	3	237.347	1.135	10	30		BDEEHN
C[C@H](CC#N)N1CCN2CCCC[C@@H]2C1	ZINC000113710370	323191361	/nfs/dbraw/zinc/19/13/61/323191361.db2.gz	IBUWPXMBPBVNLK-VXGBXAGGSA-N	0	3	207.321	1.459	10	30		BDEEHN
N#Cc1ccc(C(=O)N2CCCNCC2)s1	ZINC000229018288	526590148	/nfs/dbraw/zinc/59/01/48/526590148.db2.gz	PQEOGERSDAGBFK-UHFFFAOYSA-N	0	3	235.312	1.055	10	30		BDEEHN
COC[C@H](C)C(=O)C(C#N)c1nc(C)cs1	ZINC000103635568	586168819	/nfs/dbraw/zinc/16/88/19/586168819.db2.gz	NCQWXFUTTZEROG-IONNQARKSA-N	0	3	238.312	1.910	10	30		BDEEHN
C#CCCNCc1ccc(Br)cn1	ZINC000069938862	642944743	/nfs/dbraw/zinc/94/47/43/642944743.db2.gz	TZVNXMFESBIWDO-UHFFFAOYSA-N	0	3	239.116	1.957	10	30		BDEEHN
N#C[C@@H]1CCCC[C@H]1NC[C@H](O)C1CC1	ZINC000070884749	643076244	/nfs/dbraw/zinc/07/62/44/643076244.db2.gz	ICSJQYCILJBCES-TUAOUCFPSA-N	0	3	208.305	1.429	10	30		BDEEHN
N#Cc1ccc(CNC2CC(C(N)=O)C2)c(F)c1	ZINC000716768829	712572727	/nfs/dbraw/zinc/57/27/27/712572727.db2.gz	FPBNTMIHRZVAFN-UHFFFAOYSA-N	0	3	247.273	1.051	10	30		BDEEHN
C=C(COC)C(=O)CCNCc1ccccc1	ZINC000685960337	538907689	/nfs/dbraw/zinc/90/76/89/538907689.db2.gz	GBKWIMVSXXBVDF-UHFFFAOYSA-N	0	3	233.311	1.938	10	30		BDEEHN
N#C[C@@H]1CCC[C@H]1NCCC1(O)CCC1	ZINC000397670280	398190020	/nfs/dbraw/zinc/19/00/20/398190020.db2.gz	NIPHKRNKJMIUND-WDEREUQCSA-N	0	3	208.305	1.573	10	30		BDEEHN
Cc1ccc(C#N)c(N[C@@H]2CCN(C)C2)n1	ZINC000043395684	178366182	/nfs/dbraw/zinc/36/61/82/178366182.db2.gz	WUJUWQCVSSNIGW-LLVKDONJSA-N	0	3	216.288	1.378	10	30		BDEEHN
C[C@@H]1NC(=O)CC[C@H]1NCc1cccc(C#N)c1	ZINC000282233974	398316855	/nfs/dbraw/zinc/31/68/55/398316855.db2.gz	FSFZIXUJQJOAGP-GXFFZTMASA-N	0	3	243.310	1.315	10	30		BDEEHN
C#CCN1CCC[C@H](n2ccnc2CC)C1	ZINC000105896684	136363922	/nfs/dbraw/zinc/36/39/22/136363922.db2.gz	FZMVBSRFLAGFPU-LBPRGKRZSA-N	0	3	217.316	1.716	10	30		BDEEHN
N#C[C@@H]1CCCC[C@H]1N[C@@H]1CCNC(=O)CC1	ZINC000396745738	349812223	/nfs/dbraw/zinc/81/22/23/349812223.db2.gz	YLMVKTFSLJFLOY-SDDRHHMPSA-N	0	3	235.331	1.327	10	30		BDEEHN
Cc1nccn1CCN[C@@H]1CCCC[C@@H]1C#N	ZINC000379918474	343655432	/nfs/dbraw/zinc/65/54/32/343655432.db2.gz	PJGWWPVWQAQRRD-CHWSQXEVSA-N	0	3	232.331	1.864	10	30		BDEEHN
C#CCn1ccn2nc(C3CCC3)c(CN)c12	ZINC000409437233	343842901	/nfs/dbraw/zinc/84/29/01/343842901.db2.gz	FBCARANJZSZJFI-UHFFFAOYSA-N	0	3	228.299	1.495	10	30		BDEEHN
N#C[C@H](c1cccc(F)c1)N1CC(N)C1	ZINC000409439338	343846925	/nfs/dbraw/zinc/84/69/25/343846925.db2.gz	GVZABGODBDNMNT-LLVKDONJSA-N	0	3	205.236	1.033	10	30		BDEEHN
C#CCn1nc(-c2ccncc2)cc1CN	ZINC000409443275	343866675	/nfs/dbraw/zinc/86/66/75/343866675.db2.gz	KFUMFXCPWGRDMS-UHFFFAOYSA-N	0	3	212.256	1.037	10	30		BDEEHN
CCN1CCNC[C@@H]1c1ccc(C#N)cc1	ZINC000139850078	343956296	/nfs/dbraw/zinc/95/62/96/343956296.db2.gz	HFTWJUFRJUIOLV-CYBMUJFWSA-N	0	3	215.300	1.524	10	30		BDEEHN
COC1CC(N[C@H]2CCCC[C@@H]2C#N)C1	ZINC000234739737	344237797	/nfs/dbraw/zinc/23/77/97/344237797.db2.gz	RXJBHUNCNHPGLD-YYJSSNLHSA-N	0	3	208.305	1.836	10	30		BDEEHN
CCN1CC[C@@H](Nc2nc(C)cc(C#N)n2)C1	ZINC000389360907	344495777	/nfs/dbraw/zinc/49/57/77/344495777.db2.gz	XHQMBFQSUCJRRG-SNVBAGLBSA-N	0	3	231.303	1.163	10	30		BDEEHN
N#Cc1ccc(OC2CNC2)c(Cl)c1	ZINC000062810039	347082389	/nfs/dbraw/zinc/08/23/89/347082389.db2.gz	YFDUNMWGVLNTIH-UHFFFAOYSA-N	0	3	208.648	1.562	10	30		BDEEHN
CNC(=NN)Nc1ccc(C)cc1Cl	ZINC000164631575	346613476	/nfs/dbraw/zinc/61/34/76/346613476.db2.gz	PZDQYSCNTXJGGW-UHFFFAOYSA-N	0	3	212.684	1.509	10	30		BDEEHN
C=CCNC[C@H](O)c1ccccc1OC	ZINC000032011680	187371841	/nfs/dbraw/zinc/37/18/41/187371841.db2.gz	PTDHLHDXNVKLPX-NSHDSACASA-N	0	3	207.273	1.504	10	30		BDEEHN
C#CCN[C@H]1C[C@H](OCC)C12CCOCC2	ZINC000309968664	347206425	/nfs/dbraw/zinc/20/64/25/347206425.db2.gz	OLOSKECZEPHIQP-RYUDHWBXSA-N	0	3	223.316	1.183	10	30		BDEEHN
Cc1cccc([C@H](C#N)NCCN(C)C)c1	ZINC000019987649	179191592	/nfs/dbraw/zinc/19/15/92/179191592.db2.gz	XNOSYSZBHZNFHL-ZDUSSCGKSA-N	0	3	217.316	1.711	10	30		BDEEHN
Cc1nccn1CCN[C@H]1CCC[C@@H]1C#N	ZINC000390570138	347395754	/nfs/dbraw/zinc/39/57/54/347395754.db2.gz	NAPRPHJUAZCTBL-NEPJUHHUSA-N	0	3	218.304	1.473	10	30		BDEEHN
CC(C)[C@H](O)CN[C@@H]1CCCC[C@H]1C#N	ZINC000253022578	347878143	/nfs/dbraw/zinc/87/81/43/347878143.db2.gz	LDMNTXGNEBCSDA-QJPTWQEYSA-N	0	3	210.321	1.675	10	30		BDEEHN
Cc1ccccc1C(C#N)C(=O)[C@@H]1COCCO1	ZINC000055301957	179332879	/nfs/dbraw/zinc/33/28/79/179332879.db2.gz	RLMLYDVNUAKCQS-STQMWFEESA-N	0	3	245.278	1.587	10	30		BDEEHN
N#C[C@@H]1CCC[C@H]1N[C@@H]1CCCC[C@H]1O	ZINC000594669523	348096158	/nfs/dbraw/zinc/09/61/58/348096158.db2.gz	DTJRSZAKDHUXQH-IRCOFANPSA-N	0	3	208.305	1.572	10	30		BDEEHN
C[C@H](CS)CN1C[C@H](C)OC[C@H]1C	ZINC000251678331	362896933	/nfs/dbraw/zinc/89/69/33/362896933.db2.gz	MDXSBBMHXDUKBQ-AEJSXWLSSA-N	0	3	203.351	1.662	10	30		BDEEHN
C#CCOc1cccc(CNC(C)(C)CO)c1	ZINC000045945575	187395872	/nfs/dbraw/zinc/39/58/72/187395872.db2.gz	SHHJSKFWTPDEPF-UHFFFAOYSA-N	0	3	233.311	1.559	10	30		BDEEHN
C=CCCSCCNC(=O)[C@@H](N)CCC	ZINC000595940443	348409618	/nfs/dbraw/zinc/40/96/18/348409618.db2.gz	QZABYWCDLLHWBG-JTQLQIEISA-N	0	3	230.377	1.539	10	30		BDEEHN
CC(=O)N1CCC(N[C@H]2CCCC[C@@H]2C#N)CC1	ZINC000597198793	348674659	/nfs/dbraw/zinc/67/46/59/348674659.db2.gz	PUTLPCJYMUQOTO-OCCSQVGLSA-N	0	3	249.358	1.669	10	30		BDEEHN
C=CCN(C(=O)[C@@H]1CCCCN1)C(C)C	ZINC000037817717	166311146	/nfs/dbraw/zinc/31/11/46/166311146.db2.gz	NYIXRHYLZKBNAZ-NSHDSACASA-N	0	3	210.321	1.552	10	30		BDEEHN
CN1CCC[C@H]1CN(CC#N)C1CCCC1	ZINC000386689484	363029384	/nfs/dbraw/zinc/02/93/84/363029384.db2.gz	KCSSSQGHQULOON-ZDUSSCGKSA-N	0	3	221.348	1.849	10	30		BDEEHN
C=CC(C)(C)CCNC(=O)[C@H]1C[C@H](F)CN1	ZINC000638455035	352265509	/nfs/dbraw/zinc/26/55/09/352265509.db2.gz	PESTUBPDDGNMPD-VHSXEESVSA-N	0	3	228.311	1.405	10	30		BDEEHN
CCN1CCC[C@@H](NC(=O)C(C)(C)C#N)C1	ZINC000044363548	352290754	/nfs/dbraw/zinc/29/07/54/352290754.db2.gz	MMZLWRKDIJFSEJ-SNVBAGLBSA-N	0	3	223.320	1.137	10	30		BDEEHN
COC[C@H](C)NCc1ccc(C#N)cc1C	ZINC000229135948	352594781	/nfs/dbraw/zinc/59/47/81/352594781.db2.gz	LVOLDGKJEFHXSL-NSHDSACASA-N	0	3	218.300	1.991	10	30		BDEEHN
C#CCN(C)[C@@H]1CCc2ccc(N)cc21	ZINC000140253028	353122972	/nfs/dbraw/zinc/12/29/72/353122972.db2.gz	NPSUSPCYQNJLRC-CYBMUJFWSA-N	0	3	200.285	1.821	10	30		BDEEHN
C#CCOc1cccc(CNC[C@H](C)O)c1	ZINC000045946115	188085368	/nfs/dbraw/zinc/08/53/68/188085368.db2.gz	LTNGGORDLKIVBV-NSHDSACASA-N	0	3	219.284	1.169	10	30		BDEEHN
C=CC[C@H](N)C(=O)NCCc1ccccc1F	ZINC000083363245	188097736	/nfs/dbraw/zinc/09/77/36/188097736.db2.gz	PLIHDSVSBSOLLX-LBPRGKRZSA-N	0	3	236.290	1.388	10	30		BDEEHN
CC(=NNC(=N)N)c1ccc(Cl)s1	ZINC000006373601	188103393	/nfs/dbraw/zinc/10/33/93/188103393.db2.gz	HPDVDIIKIMYONM-WCIBSUBMSA-N	0	3	216.697	1.399	10	30		BDEEHN
CC(C)(C)c1ccc(C=NNC(=N)N)cc1	ZINC000033932555	188110952	/nfs/dbraw/zinc/11/09/52/188110952.db2.gz	QSVVEAXWJNNLQP-NVNXTCNLSA-N	0	3	218.304	1.591	10	30		BDEEHN
CC(C)C(C#N)C(=O)N(C)C[C@@H](C)C#N	ZINC000044826485	188152399	/nfs/dbraw/zinc/15/23/99/188152399.db2.gz	MGXXFFVJSMEHQT-UWVGGRQHSA-N	0	3	207.277	1.400	10	30		BDEEHN
CC#CCN1CC[C@@H](CNc2ccccn2)C1	ZINC000160084159	353252825	/nfs/dbraw/zinc/25/28/25/353252825.db2.gz	CYBHDAHJBZJQOD-ZDUSSCGKSA-N	0	3	229.327	1.839	10	30		BDEEHN
CC(C)(CO)N[C@H]1CCCCC[C@H]1C#N	ZINC000054825064	188178619	/nfs/dbraw/zinc/17/86/19/188178619.db2.gz	LFRBAEJEEYBUIP-QWRGUYRKSA-N	0	3	210.321	1.819	10	30		BDEEHN
C=C(Cl)CN[C@@H]1CCN2CCCC[C@H]12	ZINC000049565132	188218763	/nfs/dbraw/zinc/21/87/63/188218763.db2.gz	MJEVFGSKUBXMMB-GHMZBOCLSA-N	0	3	214.740	1.955	10	30		BDEEHN
CC(=O)N[C@@H](C)c1ccc(C#CCN)cc1	ZINC000049586722	188218875	/nfs/dbraw/zinc/21/88/75/188218875.db2.gz	DQIYGDHBPMXTRS-JTQLQIEISA-N	0	3	216.284	1.194	10	30		BDEEHN
CC#CCOc1ccc(CNCCOC)cc1	ZINC000062729137	188223977	/nfs/dbraw/zinc/22/39/77/188223977.db2.gz	NYMDQNDUGQXIAG-UHFFFAOYSA-N	0	3	233.311	1.825	10	30		BDEEHN
N#CCN(CC#N)[C@H](CN)c1ccccc1Cl	ZINC000043051108	181040334	/nfs/dbraw/zinc/04/03/34/181040334.db2.gz	QOQQXKFJJGXTFT-GFCCVEGCSA-N	0	3	248.717	1.689	10	30		BDEEHN
N#CC(Cc1ccc(Cl)cc1)C(N)=O	ZINC000075617024	181055658	/nfs/dbraw/zinc/05/56/58/181055658.db2.gz	YXTVZHDZURKOKC-MRVPVSSYSA-N	0	3	208.648	1.508	10	30		BDEEHN
N#C[C@@H]1CCCC[C@H]1NC1(CO)CCCC1	ZINC000054829836	181059017	/nfs/dbraw/zinc/05/90/17/181059017.db2.gz	VIMWZNLEPBOGQE-NWDGAFQWSA-N	0	3	222.332	1.963	10	30		BDEEHN
N#C[C@H]1CCCC[C@H]1NC1(CO)CCCC1	ZINC000054829841	181068448	/nfs/dbraw/zinc/06/84/48/181068448.db2.gz	VIMWZNLEPBOGQE-VXGBXAGGSA-N	0	3	222.332	1.963	10	30		BDEEHN
N#C[C@H]1CCC[C@@H]1NC1(CO)CCCCC1	ZINC000054829885	181068853	/nfs/dbraw/zinc/06/88/53/181068853.db2.gz	WESSLFJESXYRLH-NEPJUHHUSA-N	0	3	222.332	1.963	10	30		BDEEHN
CC1(C#N)CCN(CC2(O)CCC2)CC1	ZINC000335313312	535275414	/nfs/dbraw/zinc/27/54/14/535275414.db2.gz	JIXGNGVIUKPCKC-UHFFFAOYSA-N	0	3	208.305	1.527	10	30		BDEEHN
N/C(=N\O)c1cccc(CN2CCCC2)c1	ZINC000019423552	181181219	/nfs/dbraw/zinc/18/12/19/181181219.db2.gz	XBTCBPZGARWGHF-UHFFFAOYSA-N	0	3	219.288	1.377	10	30		BDEEHN
C#C[C@H](NC)[C@@H]1CS[C@@H](C)[C@H](C)S1	ZINC000300032725	357174042	/nfs/dbraw/zinc/17/40/42/357174042.db2.gz	VVQJHPJQGFESRA-XKNYDFJKSA-N	0	3	215.387	1.833	10	30		BDEEHN
C[C@H]1OCC[C@@H]1NCC#Cc1ccccc1	ZINC000134541713	358794251	/nfs/dbraw/zinc/79/42/51/358794251.db2.gz	HUJCCSKYPRDWHN-OCCSQVGLSA-N	0	3	215.296	1.805	10	30		BDEEHN
COC[C@@H](C)NCc1cc(C#N)ccc1OC	ZINC000130219633	358960081	/nfs/dbraw/zinc/96/00/81/358960081.db2.gz	WGVPGKSMXYPSJK-SNVBAGLBSA-N	0	3	234.299	1.691	10	30		BDEEHN
N#Cc1ccc(Br)cc1NC(=N)N	ZINC000306194988	359024107	/nfs/dbraw/zinc/02/41/07/359024107.db2.gz	WZWVNRIENZOAKR-UHFFFAOYSA-N	0	3	239.076	1.626	10	30		BDEEHN
N=C(N)NN=Cc1cscc1Br	ZINC000306412380	359821637	/nfs/dbraw/zinc/82/16/37/359821637.db2.gz	QLXPPLXFBYIPDI-BCTAIJSYSA-N	0	3	247.121	1.328	10	30		BDEEHN
NN=C(N)c1ccc(F)c(Br)c1	ZINC000169246285	359907354	/nfs/dbraw/zinc/90/73/54/359907354.db2.gz	FQKXQQCZZVVYFA-UHFFFAOYSA-N	0	3	232.056	1.167	10	30		BDEEHN
C=C(C)[C@@H](NC)[C@H]1CCCCS1(=O)=O	ZINC000131399652	360257570	/nfs/dbraw/zinc/25/75/70/360257570.db2.gz	SSYDSXKDPVQIAK-NXEZZACHSA-N	0	3	217.334	1.118	10	30		BDEEHN
C=CCSc1nc(C)nc(NN)c1C	ZINC000306530428	360378217	/nfs/dbraw/zinc/37/82/17/360378217.db2.gz	DLKUNSLBFXWWHM-UHFFFAOYSA-N	0	3	210.306	1.657	10	30		BDEEHN
CCN(CCC#N)C(=O)[C@@H](N)Cc1ccccc1	ZINC000037825837	169814220	/nfs/dbraw/zinc/81/42/20/169814220.db2.gz	TVMZGFHVKNZUCO-ZDUSSCGKSA-N	0	3	245.326	1.319	10	30		BDEEHN
Cc1cscc1NC(=NN)NC1CC1	ZINC000306625543	361285044	/nfs/dbraw/zinc/28/50/44/361285044.db2.gz	GWJVEAOPXLJFLP-UHFFFAOYSA-N	0	3	210.306	1.450	10	30		BDEEHN
C=C1CCN(c2ncc(CN)s2)CC1	ZINC000306637917	361585062	/nfs/dbraw/zinc/58/50/62/361585062.db2.gz	BWQCHSZGGXUBBL-UHFFFAOYSA-N	0	3	209.318	1.758	10	30		BDEEHN
NCC#Cc1cccc(OCc2ccccn2)c1	ZINC000037547991	181346082	/nfs/dbraw/zinc/34/60/82/181346082.db2.gz	ZEAIPIQYLSIMPG-UHFFFAOYSA-N	0	3	238.290	1.971	10	30		BDEEHN
NCC#Cc1ccc(N2CCCC2=O)cc1	ZINC000037471390	181346253	/nfs/dbraw/zinc/34/62/53/181346253.db2.gz	HASHEQFDJWZOQL-UHFFFAOYSA-N	0	3	214.268	1.124	10	30		BDEEHN
NCC#Cc1cc(F)ccc1OC[C@H]1CCOC1	ZINC000049689777	181346870	/nfs/dbraw/zinc/34/68/70/181346870.db2.gz	MTILMFNIJZRAOM-NSHDSACASA-N	0	3	249.285	1.551	10	30		BDEEHN
NCC#Cc1cccc(Cn2ccccc2=O)c1	ZINC000049610047	181346901	/nfs/dbraw/zinc/34/69/01/181346901.db2.gz	RLLTTYYWCZKNJV-UHFFFAOYSA-N	0	3	238.290	1.207	10	30		BDEEHN
NCC#Cc1ccc(OC[C@H]2CCCO2)cc1	ZINC000037547942	181346930	/nfs/dbraw/zinc/34/69/30/181346930.db2.gz	LHUSWVCHRHOMAP-CQSZACIVSA-N	0	3	231.295	1.555	10	30		BDEEHN
NCC#Cc1ccc(CN2CCCC2=O)c(F)c1	ZINC000049609981	181346629	/nfs/dbraw/zinc/34/66/29/181346629.db2.gz	KNWLLSPGHPENBO-UHFFFAOYSA-N	0	3	246.285	1.258	10	30		BDEEHN
NCC#Cc1ccc(C(=O)NC2CCC2)s1	ZINC000052214096	181346657	/nfs/dbraw/zinc/34/66/57/181346657.db2.gz	QCOMLWXCQXPONT-UHFFFAOYSA-N	0	3	234.324	1.341	10	30		BDEEHN
C#CCN(C)CCCNC(=O)[C@@H]1CCC[C@H]1C	ZINC000383217646	367606770	/nfs/dbraw/zinc/60/67/70/367606770.db2.gz	YPVLUJIWRJRCKI-CHWSQXEVSA-N	0	3	236.359	1.494	10	30		BDEEHN
N#C[C@@H]1CCCC[C@@H]1NC[C@H]1CCOC1	ZINC000251020636	369640646	/nfs/dbraw/zinc/64/06/46/369640646.db2.gz	FCJIZKAWXZERGI-WOPDTQHZSA-N	0	3	208.305	1.695	10	30		BDEEHN
N#Cc1ccc(F)c(N2CCNCC2)c1	ZINC000096314442	371461850	/nfs/dbraw/zinc/46/18/50/371461850.db2.gz	HZKVZPSWCXZLNN-UHFFFAOYSA-N	0	3	205.236	1.107	10	30		BDEEHN
CCC[C@@H](N)C(=O)NCc1ccc(C#N)cc1	ZINC000037748590	169390166	/nfs/dbraw/zinc/39/01/66/169390166.db2.gz	ADOULJVEZPVLBO-GFCCVEGCSA-N	0	3	231.299	1.302	10	30		BDEEHN
CN(C)c1ccc(/C=C\C=N\n2cnnc2)cc1	ZINC000005843398	384132757	/nfs/dbraw/zinc/13/27/57/384132757.db2.gz	SQYQYMYBJMOGGZ-SEVRDVPZSA-N	0	3	241.298	1.891	10	30		BDEEHN
CNC(=NN)c1ccc(F)c(Br)c1	ZINC000234514887	384195815	/nfs/dbraw/zinc/19/58/15/384195815.db2.gz	IJGRMKLJAKYPEB-UHFFFAOYSA-N	0	3	246.083	1.428	10	30		BDEEHN
C[C@@H]1CN2CCCC[C@@H]2CN1CCC#N	ZINC000083704473	384321752	/nfs/dbraw/zinc/32/17/52/384321752.db2.gz	FODDZYWBQSPBRU-VXGBXAGGSA-N	0	3	207.321	1.459	10	30		BDEEHN
CC[C@@H](O)CN1CCN(CCCCC#N)CC1	ZINC000174090620	384299652	/nfs/dbraw/zinc/29/96/52/384299652.db2.gz	SNPDQMICGBDXEX-CYBMUJFWSA-N	0	3	239.363	1.069	10	30		BDEEHN
CO[C@@H]1CCN[C@@H](c2ccc(C#N)cc2)C1	ZINC000584599243	387501530	/nfs/dbraw/zinc/50/15/30/387501530.db2.gz	ZYMQGXCPVOYSLS-CHWSQXEVSA-N	0	3	216.284	1.998	10	30		BDEEHN
CCc1ccc([C@H](C)NCC(=O)NCC#N)cc1	ZINC000038012760	387569736	/nfs/dbraw/zinc/56/97/36/387569736.db2.gz	RFVTWSBMUHSDRR-NSHDSACASA-N	0	3	245.326	1.539	10	30		BDEEHN
C[C@H]1CN2CCC[C@@H]2CN1C(=O)C1(C#N)CCC1	ZINC000083798489	388063848	/nfs/dbraw/zinc/06/38/48/388063848.db2.gz	QGUDIUAXXCJCOD-NWDGAFQWSA-N	0	3	247.342	1.375	10	30		BDEEHN
C#C[C@@H](NCc1cnn(C)c1C)C(C)(C)C	ZINC000309877478	388468035	/nfs/dbraw/zinc/46/80/35/388468035.db2.gz	TWVFFPQEJRQWGS-GFCCVEGCSA-N	0	3	219.332	1.866	10	30		BDEEHN
CC[C@H](N)C(=O)Nc1sccc1C#N	ZINC000040852035	388427121	/nfs/dbraw/zinc/42/71/21/388427121.db2.gz	VBEJACALCWJBMD-ZETCQYMHSA-N	0	3	209.274	1.296	10	30		BDEEHN
C=CCN(C)C(=O)N[C@@H]1CCCN(CC)C1	ZINC000187068500	388606589	/nfs/dbraw/zinc/60/65/89/388606589.db2.gz	ALHIIMXPZUCFKU-LLVKDONJSA-N	0	3	225.336	1.298	10	30		BDEEHN
C#CCN[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000020084715	166190700	/nfs/dbraw/zinc/19/07/00/166190700.db2.gz	ZTPWZRXKZYZHNV-QMMMGPOBSA-N	0	3	215.256	1.140	10	30		BDEEHN
C#CCN[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000020084713	166192397	/nfs/dbraw/zinc/19/23/97/166192397.db2.gz	ZTPWZRXKZYZHNV-MRVPVSSYSA-N	0	3	215.256	1.140	10	30		BDEEHN
C#CCOc1cc2c(cc1CNCC)OCO2	ZINC000042874519	166197765	/nfs/dbraw/zinc/19/77/65/166197765.db2.gz	AGORWKYFAJCWOG-UHFFFAOYSA-N	0	3	233.267	1.537	10	30		BDEEHN
C#CC[C@H](N)C(=O)NC[C@@H](CC)CCCC	ZINC000083353602	166206469	/nfs/dbraw/zinc/20/64/69/166206469.db2.gz	FRCCSXIUUHMMFC-RYUDHWBXSA-N	0	3	224.348	1.670	10	30		BDEEHN
C=CCNC(=O)[C@H](C)N[C@@H]1CCc2ccccc21	ZINC000035180609	166389271	/nfs/dbraw/zinc/38/92/71/166389271.db2.gz	JYVILIIJQQZTAC-SMDDNHRTSA-N	0	3	244.338	1.954	10	30		BDEEHN
C=CCNCC(=O)N[C@@H](C)c1ccc(F)cc1	ZINC000095081771	166398542	/nfs/dbraw/zinc/39/85/42/166398542.db2.gz	SDNADQIIPUCYAP-JTQLQIEISA-N	0	3	236.290	1.779	10	30		BDEEHN
C=CCNCCC(=O)c1ccc2c(c1)OCO2	ZINC000049822717	166398918	/nfs/dbraw/zinc/39/89/18/166398918.db2.gz	JYPPITYYCRWJHS-UHFFFAOYSA-N	0	3	233.267	1.764	10	30		BDEEHN
CC(C)C(C#N)C(=O)N(C)C[C@H](C)C#N	ZINC000044826486	167340351	/nfs/dbraw/zinc/34/03/51/167340351.db2.gz	MGXXFFVJSMEHQT-NXEZZACHSA-N	0	3	207.277	1.400	10	30		BDEEHN
C[C@H](C#N)CNC1(CO)CCC(C)CC1	ZINC000053118454	168156401	/nfs/dbraw/zinc/15/64/01/168156401.db2.gz	ICWJYAVACZWVNM-MOENNCHZSA-N	0	3	210.321	1.677	10	30		BDEEHN
CCNC(=O)CCNCc1cccc(C#N)c1	ZINC000051758634	170052686	/nfs/dbraw/zinc/05/26/86/170052686.db2.gz	BDZJOHZTHBAVMD-UHFFFAOYSA-N	0	3	231.299	1.174	10	30		BDEEHN
CCOC(=O)Nc1cc(C#CCN)ccc1OC	ZINC000049587472	170243143	/nfs/dbraw/zinc/24/31/43/170243143.db2.gz	XDBXRXLDDFOCPC-UHFFFAOYSA-N	0	3	248.282	1.574	10	30		BDEEHN
C=CCOCCCNCc1cnn(C)c1C	ZINC000657657916	411571840	/nfs/dbraw/zinc/57/18/40/411571840.db2.gz	GDAJJUWJPBCVTO-UHFFFAOYSA-N	0	3	223.320	1.411	10	30		BDEEHN
CC[C@@H]1CO[C@H](C)CN1CCCC/C(N)=N/O	ZINC000049580258	171112873	/nfs/dbraw/zinc/11/28/73/171112873.db2.gz	ZWRUICGEJAPMQQ-GHMZBOCLSA-N	0	3	243.351	1.402	10	30		BDEEHN
CC[C@@H]1CSC(N[C@H]2CCN(C)C2)=N1	ZINC000042548583	171113438	/nfs/dbraw/zinc/11/34/38/171113438.db2.gz	XLNQJDRMYBASOH-BDAKNGLRSA-N	0	3	213.350	1.162	10	30		BDEEHN
CC[C@@H]1CO[C@H](C)CN1C[C@]1(C=O)CCOC1	ZINC000051179394	171113609	/nfs/dbraw/zinc/11/36/09/171113609.db2.gz	VPWJXIVKMYVTAA-UPJWGTAASA-N	0	3	241.331	1.091	10	30		BDEEHN
CC[C@H](C)NCC(=O)N(C)c1cccc(C#N)c1	ZINC000061981044	171339351	/nfs/dbraw/zinc/33/93/51/171339351.db2.gz	GUXTUQIBLWMMEH-NSHDSACASA-N	0	3	245.326	1.909	10	30		BDEEHN
CC[C@H]1CO[C@@H](c2ccc(C#N)cc2)CN1	ZINC000036672723	171673645	/nfs/dbraw/zinc/67/36/45/171673645.db2.gz	CFKKNKPLQUMDJB-QWHCGFSZSA-N	0	3	216.284	1.998	10	30		BDEEHN
C=CCCC(C)(C)NC(=O)[C@H](N)CCC	ZINC000662952061	412351934	/nfs/dbraw/zinc/35/19/34/412351934.db2.gz	CBMZJAXEJWKZDW-SNVBAGLBSA-N	0	3	212.337	1.975	10	30		BDEEHN
CN(CCOc1ccc(C#CCO)cc1)C1CC1	ZINC000049617398	172771600	/nfs/dbraw/zinc/77/16/00/172771600.db2.gz	BTXZCNKZVFMFSR-UHFFFAOYSA-N	0	3	245.322	1.503	10	30		BDEEHN
CN(c1ccc(N)cc1C#N)[C@H]1CCCN(C)C1	ZINC000053205848	173044923	/nfs/dbraw/zinc/04/49/23/173044923.db2.gz	LVVAFYDHJVTELX-ZDUSSCGKSA-N	0	3	244.342	1.671	10	30		BDEEHN
CN1CCC[C@H](Nc2cc(C#N)ccn2)C1	ZINC000040673553	173046979	/nfs/dbraw/zinc/04/69/79/173046979.db2.gz	PHVGWTICQOLSBA-NSHDSACASA-N	0	3	216.288	1.459	10	30		BDEEHN
COCCNC(CCc1cccc(C)c1)=NN	ZINC000053293233	174303308	/nfs/dbraw/zinc/30/33/08/174303308.db2.gz	OPPSRBRFDKPPKK-UHFFFAOYSA-N	0	3	235.331	1.436	10	30		BDEEHN
COc1ccc(C(N)=NN)cc1Br	ZINC000042013707	175046602	/nfs/dbraw/zinc/04/66/02/175046602.db2.gz	FLBUVZDTHVXGRO-UHFFFAOYSA-N	0	3	244.092	1.037	10	30		BDEEHN
COc1ccccc1[C@H](CN)N(C)CCC#N	ZINC000043096982	175352988	/nfs/dbraw/zinc/35/29/88/175352988.db2.gz	UILDWROXBFQFQR-LBPRGKRZSA-N	0	3	233.315	1.540	10	30		BDEEHN
C[C@@H]1CCC[C@@](C#N)(NCCN(C)C)C1	ZINC000037940692	176132516	/nfs/dbraw/zinc/13/25/16/176132516.db2.gz	PJNXOUVSMWZYSL-VXGBXAGGSA-N	0	3	209.337	1.610	10	30		BDEEHN
C[C@H](S)[C@@H]1NCCc2cc(O)ccc21	ZINC000083660566	177026396	/nfs/dbraw/zinc/02/63/96/177026396.db2.gz	KMIHISHJGUSROS-CPCISQLKSA-N	0	3	209.314	1.897	10	30		BDEEHN
C[C@H]1C[C@H]1C(=O)NCc1ccccc1C#CCN	ZINC000049586411	177377307	/nfs/dbraw/zinc/37/73/07/177377307.db2.gz	UPEYFMMOVOSJSO-SMDDNHRTSA-N	0	3	242.322	1.269	10	30		BDEEHN
CCN1CCC[C@H](NCc2ccc(C#N)o2)C1	ZINC000135161268	325398118	/nfs/dbraw/zinc/39/81/18/325398118.db2.gz	PZMLJWQQRLEPKN-NSHDSACASA-N	0	3	233.315	1.725	10	30		BDEEHN
CCN1CCC[C@@H](Nc2cncc(C#N)n2)C1	ZINC000401268127	529059354	/nfs/dbraw/zinc/05/93/54/529059354.db2.gz	SEMDTFLXBFMOGY-SNVBAGLBSA-N	0	3	231.303	1.244	10	30		BDEEHN
CCC[C@@H](C(=O)N[C@@H](CC)CC#N)N(C)C	ZINC000183901204	535318302	/nfs/dbraw/zinc/31/83/02/535318302.db2.gz	WBKVZRFTYDAWIJ-QWRGUYRKSA-N	0	3	225.336	1.525	10	30		BDEEHN
COC[C@@H](C)C(=O)C(C#N)c1nc(C)cs1	ZINC000103635574	586168902	/nfs/dbraw/zinc/16/89/02/586168902.db2.gz	NCQWXFUTTZEROG-APPZFPTMSA-N	0	3	238.312	1.910	10	30		BDEEHN
C#CCCNCc1cccc(OC)c1OC	ZINC000069767807	631279297	/nfs/dbraw/zinc/27/92/97/631279297.db2.gz	ONKGUXMKJAUKLH-UHFFFAOYSA-N	0	3	219.284	1.817	10	30		BDEEHN
CC(C)(C)OC(=O)C#C[C@H]1CCCCN1	ZINC000685954307	538899093	/nfs/dbraw/zinc/89/90/93/538899093.db2.gz	UZIDJSATPSKAJE-SNVBAGLBSA-N	0	3	209.289	1.474	10	30		BDEEHN
Cc1ccc(C#N)cc1N[C@H]1CCN(C)C1	ZINC000061989849	178367895	/nfs/dbraw/zinc/36/78/95/178367895.db2.gz	CLENNPRKJKZIMG-LBPRGKRZSA-N	0	3	215.300	1.983	10	30		BDEEHN
CN(C)[C@@H]1CCN(C(=O)C2(C#N)CCCCC2)C1	ZINC000071139969	361960788	/nfs/dbraw/zinc/96/07/88/361960788.db2.gz	HSJJWPRIACOFJK-GFCCVEGCSA-N	0	3	249.358	1.623	10	30		BDEEHN
N#C[C@H]1CCC[C@@H]1NCC1(O)CCCC1	ZINC000083466258	343486847	/nfs/dbraw/zinc/48/68/47/343486847.db2.gz	QFSQPUGJNZJSHW-MNOVXSKESA-N	0	3	208.305	1.573	10	30		BDEEHN
CC#CCCN1CCC[C@@H](NC(C)=O)C1	ZINC000155120598	345068369	/nfs/dbraw/zinc/06/83/69/345068369.db2.gz	GCBXMTYGRKKCHH-GFCCVEGCSA-N	0	3	208.305	1.000	10	30		BDEEHN
CC#CCCN1CCC[C@H](NC(=O)CCC)C1	ZINC000155355476	345078667	/nfs/dbraw/zinc/07/86/67/345078667.db2.gz	QRKYCVIXBXNLNW-ZDUSSCGKSA-N	0	3	236.359	1.781	10	30		BDEEHN
CN(C)Cc1ccc2c(C#N)c[nH]c2n1	ZINC000143443968	345866028	/nfs/dbraw/zinc/86/60/28/345866028.db2.gz	PALUDKWYELXHKS-UHFFFAOYSA-N	0	3	200.245	1.496	10	30		BDEEHN
C=CCCO[C@H](C)C(=O)N1CC[C@H](N(C)C)C1	ZINC000170854929	346463122	/nfs/dbraw/zinc/46/31/22/346463122.db2.gz	CXKULUWQXOOPMI-NEPJUHHUSA-N	0	3	240.347	1.130	10	30		BDEEHN
CCCC(=O)N[C@H](C)c1ccc(C#CCN)cc1	ZINC000044389488	168559421	/nfs/dbraw/zinc/55/94/21/168559421.db2.gz	INYJXFLUCKGWDT-GFCCVEGCSA-N	0	3	244.338	1.974	10	30		BDEEHN
O=C[C@@H]1CCCCN1[C@H]1CCCC[C@H]1O	ZINC000251090592	362836952	/nfs/dbraw/zinc/83/69/52/362836952.db2.gz	IFYQILGSUMGCNU-SDDRHHMPSA-N	0	3	211.305	1.343	10	30		BDEEHN
C[C@H](CCC#N)N1CC[C@H](N2CCOCC2)C1	ZINC000593014329	347844549	/nfs/dbraw/zinc/84/45/49/347844549.db2.gz	IPDPAXXBILPXPM-OLZOCXBDSA-N	0	3	237.347	1.085	10	30		BDEEHN
CCC[C@@H]1C[C@H]1NC(=O)[C@H](N)CCCCC#N	ZINC000594445385	348055729	/nfs/dbraw/zinc/05/57/29/348055729.db2.gz	DZPRMIBNRZZCCG-IJLUTSLNSA-N	0	3	237.347	1.702	10	30		BDEEHN
CC#CCN1CCN(CCOC)[C@@H](CC)C1	ZINC000119170116	348206204	/nfs/dbraw/zinc/20/62/04/348206204.db2.gz	GKYPWIMZZBLCTK-ZDUSSCGKSA-N	0	3	224.348	1.052	10	30		BDEEHN
N#C[C@H]1CCC[C@H]1NCC1(O)CCSCC1	ZINC000595480836	348252217	/nfs/dbraw/zinc/25/22/17/348252217.db2.gz	BBJBRPIZZPDZMN-GHMZBOCLSA-N	0	3	240.372	1.526	10	30		BDEEHN
C=C(Br)CN[C@H]1CCN2CCC[C@@H]12	ZINC000219280650	350119318	/nfs/dbraw/zinc/11/93/18/350119318.db2.gz	ZEJMEXAZBDRFEB-UWVGGRQHSA-N	0	3	245.164	1.721	10	30		BDEEHN
O=CCCN1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000220309938	350170457	/nfs/dbraw/zinc/17/04/57/350170457.db2.gz	ZFEWKMGQZKUEDS-VXGBXAGGSA-N	0	3	211.305	1.202	10	30		BDEEHN
C=C(Br)CN[C@H]1CN2CCC1CC2	ZINC000037681172	187461648	/nfs/dbraw/zinc/46/16/48/187461648.db2.gz	YYFZRIXQKIMBDW-JTQLQIEISA-N	0	3	245.164	1.579	10	30		BDEEHN
N#Cc1ccc([C@H]2CCCN(CCO)C2)cc1	ZINC000616618220	350884097	/nfs/dbraw/zinc/88/40/97/350884097.db2.gz	SUOXKSWWZSHQRG-AWEZNQCLSA-N	0	3	230.311	1.730	10	30		BDEEHN
C=C(CS)CN1CCS[C@@H](C)C1	ZINC000231633307	350990048	/nfs/dbraw/zinc/99/00/48/350990048.db2.gz	HPKJMMQWXNTJPH-VIFPVBQESA-N	0	3	203.376	1.910	10	30		BDEEHN
N#Cc1ccc([C@H]2CCN(CCO)CCO2)cc1	ZINC000616666177	351225555	/nfs/dbraw/zinc/22/55/55/351225555.db2.gz	KHFNTLFHUVYNEV-CQSZACIVSA-N	0	3	246.310	1.314	10	30		BDEEHN
CN(CCNC(=O)CS)Cc1ccccc1	ZINC000306889088	351297798	/nfs/dbraw/zinc/29/77/98/351297798.db2.gz	WZHFIZHTBWXIMB-UHFFFAOYSA-N	0	3	238.356	1.164	10	30		BDEEHN
C=C(Br)CSC1=NC[C@@H](C)N1	ZINC000306929390	351345870	/nfs/dbraw/zinc/34/58/70/351345870.db2.gz	BBNCPZVRNDSASO-ZCFIWIBFSA-N	0	3	235.150	1.976	10	30		BDEEHN
C=CCN[C@H](C)C(=O)NC1CCCCC1	ZINC000034936804	351350377	/nfs/dbraw/zinc/35/03/77/351350377.db2.gz	JQIIPDOCOMQCKP-SNVBAGLBSA-N	0	3	210.321	1.599	10	30		BDEEHN
C[C@@H]1CCSCCN1C(C)(C)C=O	ZINC000307729597	353115368	/nfs/dbraw/zinc/11/53/68/353115368.db2.gz	HIUURRYJXSFOBW-SECBINFHSA-N	0	3	201.335	1.791	10	30		BDEEHN
C#CCOc1c(CNC2CC2)cccc1OC	ZINC000037709746	188083058	/nfs/dbraw/zinc/08/30/58/188083058.db2.gz	KELZMRCYNTWXHT-UHFFFAOYSA-N	0	3	231.295	1.959	10	30		BDEEHN
C=CC[NH2+][C@H](C)c1c(C)nc(C)[n-]c1=O	ZINC000037484065	188106770	/nfs/dbraw/zinc/10/67/70/188106770.db2.gz	MPZLNMRWRGTUMY-SSDOTTSWSA-N	0	3	207.277	1.223	10	30		BDEEHN
CC(C)[C@H](N)C(=O)N(CC#N)Cc1ccccc1	ZINC000038101650	188109468	/nfs/dbraw/zinc/10/94/68/188109468.db2.gz	FNQVMUIJNSRKPH-ZDUSSCGKSA-N	0	3	245.326	1.522	10	30		BDEEHN
CC(C)C[C@@H](N)C(=O)Nc1sccc1C#N	ZINC000040851959	188118201	/nfs/dbraw/zinc/11/82/01/188118201.db2.gz	KCMSUVDOSIQOEW-SECBINFHSA-N	0	3	237.328	1.932	10	30		BDEEHN
C=CCNC[C@@H](O)COc1cccc(C)c1	ZINC000032013896	188129333	/nfs/dbraw/zinc/12/93/33/188129333.db2.gz	FHPVIHDKGRSWBA-GFCCVEGCSA-N	0	3	221.300	1.510	10	30		BDEEHN
CCCCCCCN(CCCO)C(=O)[C@H](C)N	ZINC000103047236	188150490	/nfs/dbraw/zinc/15/04/90/188150490.db2.gz	XVTIFTGIEXLRSI-LBPRGKRZSA-N	0	3	244.379	1.515	10	30		BDEEHN
CC(C)NC(=NN)[C@H]1COc2ccccc2C1	ZINC000104114535	188150197	/nfs/dbraw/zinc/15/01/97/188150197.db2.gz	XJDXIFIZFCKZBZ-LLVKDONJSA-N	0	3	233.315	1.508	10	30		BDEEHN
N#Cc1ccc(CN[C@@H]2CCC[C@H]2O)o1	ZINC000164612497	188218877	/nfs/dbraw/zinc/21/88/77/188218877.db2.gz	BEHLFSKAGAOVJG-GHMZBOCLSA-N	0	3	206.245	1.154	10	30		BDEEHN
C=CC[C@H](C)NC(=O)[C@H](CCC)N(C)C	ZINC000160647757	353269207	/nfs/dbraw/zinc/26/92/07/353269207.db2.gz	IUXZSZPCHWPDAO-QWRGUYRKSA-N	0	3	212.337	1.798	10	30		BDEEHN
N#CC1(CN2CCC[C@@H]2CCCO)CC1	ZINC000343317322	353659234	/nfs/dbraw/zinc/65/92/34/353659234.db2.gz	UWTGWRBHOVCJSL-LLVKDONJSA-N	0	3	208.305	1.527	10	30		BDEEHN
C[C@H]1CN(C)CCN1C/C=C\CS	ZINC000308109270	353887621	/nfs/dbraw/zinc/88/76/21/353887621.db2.gz	YWMPVXWYJQLSOR-XOULXFPDSA-N	0	3	200.351	1.108	10	30		BDEEHN
N#C[C@@H]1CCCC[C@@H]1NCCN1CCCC1	ZINC000054830120	181058676	/nfs/dbraw/zinc/05/86/76/181058676.db2.gz	CYBQMYKIAADNHJ-STQMWFEESA-N	0	3	221.348	1.754	10	30		BDEEHN
N#C[C@@H]1CCC[C@H]1NCCN1CCCCC1	ZINC000054827336	181060086	/nfs/dbraw/zinc/06/00/86/181060086.db2.gz	SAGLGQIWNSXHOV-QWHCGFSZSA-N	0	3	221.348	1.754	10	30		BDEEHN
N#C[C@H]1CCC[C@H]1NC1(CO)CCCCC1	ZINC000054829882	181070117	/nfs/dbraw/zinc/07/01/17/181070117.db2.gz	WESSLFJESXYRLH-VXGBXAGGSA-N	0	3	222.332	1.963	10	30		BDEEHN
N#Cc1cc(CNC[C@@H]2CCCO2)ccc1F	ZINC000083360865	181085918	/nfs/dbraw/zinc/08/59/18/181085918.db2.gz	QMMARPMUEWAHEI-LBPRGKRZSA-N	0	3	234.274	1.966	10	30		BDEEHN
CCN1CC[C@H](NC(=O)C2(C#N)CC(C)C2)C1	ZINC000389752581	357026136	/nfs/dbraw/zinc/02/61/36/357026136.db2.gz	VTHDAXXZWZFNGK-AKJDGMEZSA-N	0	3	235.331	1.137	10	30		BDEEHN
C#C[C@@]1(N)CCCN(C(=O)OC(C)(C)C)C1	ZINC000685947404	538889177	/nfs/dbraw/zinc/88/91/77/538889177.db2.gz	KGFIOGCURPOKBC-GFCCVEGCSA-N	0	3	224.304	1.348	10	30		BDEEHN
CNCc1ccc(/C(N)=N/O)cc1Cl	ZINC000169028862	358013160	/nfs/dbraw/zinc/01/31/60/358013160.db2.gz	BSXSECGKMUCMBU-UHFFFAOYSA-N	0	3	213.668	1.154	10	30		BDEEHN
CC(C)(C)NCC(=O)Nc1ccc(C#N)cc1	ZINC000016473597	358575603	/nfs/dbraw/zinc/57/56/03/358575603.db2.gz	URYYPEIRURFMFS-UHFFFAOYSA-N	0	3	231.299	1.885	10	30		BDEEHN
CC(C#N)C(=O)N[C@@H]1COc2ccccc21	ZINC000070530838	359058482	/nfs/dbraw/zinc/05/84/82/359058482.db2.gz	VQDHRBMRTJQLHR-WCBMZHEXSA-N	0	3	216.240	1.396	10	30		BDEEHN
C#CCOc1c(CNCCCO)cccc1OC	ZINC000045946052	359746035	/nfs/dbraw/zinc/74/60/35/359746035.db2.gz	VKEGSFIRKVJRID-UHFFFAOYSA-N	0	3	249.310	1.179	10	30		BDEEHN
C=C(C(=O)C1(N)CCOCC1)C(F)(F)F	ZINC000306585039	360485515	/nfs/dbraw/zinc/48/55/15/360485515.db2.gz	SDDDCBHAASHOSI-UHFFFAOYSA-N	0	3	223.194	1.182	10	30		BDEEHN
N#Cc1ccc([C@@H]2CSCCN2)cc1	ZINC000070588018	361575444	/nfs/dbraw/zinc/57/54/44/361575444.db2.gz	RLORCFWBMCPHNK-NSHDSACASA-N	0	3	204.298	1.936	10	30		BDEEHN
NCC#Cc1ccccc1COC[C@@H]1CCOC1	ZINC000049691098	181346216	/nfs/dbraw/zinc/34/62/16/181346216.db2.gz	ZZHZWQRSSCGFDO-CYBMUJFWSA-N	0	3	245.322	1.550	10	30		BDEEHN
NCC#Cc1cc(F)ccc1Cn1ccnc1	ZINC000049610076	181345825	/nfs/dbraw/zinc/34/58/25/181345825.db2.gz	VSBFJAOIILLZQS-UHFFFAOYSA-N	0	3	229.258	1.381	10	30		BDEEHN
NCC#Cc1ccc(Cn2cccn2)c(F)c1	ZINC000049610054	181346769	/nfs/dbraw/zinc/34/67/69/181346769.db2.gz	LKFHOKJMRWNSQV-UHFFFAOYSA-N	0	3	229.258	1.381	10	30		BDEEHN
NCC#Cc1cc(Cn2cccn2)ccc1F	ZINC000049610057	181346780	/nfs/dbraw/zinc/34/67/80/181346780.db2.gz	YLNYCYKWNCCJFD-UHFFFAOYSA-N	0	3	229.258	1.381	10	30		BDEEHN
NCC#Cc1ccccc1Cn1ccccc1=O	ZINC000049610041	181347518	/nfs/dbraw/zinc/34/75/18/181347518.db2.gz	XTPAVTZNFILBLI-UHFFFAOYSA-N	0	3	238.290	1.207	10	30		BDEEHN
NCC#Cc1ccccc1CNC(=O)C1CCC1	ZINC000049586402	181346393	/nfs/dbraw/zinc/34/63/93/181346393.db2.gz	WWIBYCLXSBIEHG-UHFFFAOYSA-N	0	3	242.322	1.413	10	30		BDEEHN
NCC#Cc1cnc(NC(=O)C2CCCC2)s1	ZINC000037550689	181348804	/nfs/dbraw/zinc/34/88/04/181348804.db2.gz	JAKDZGZOQKGFBZ-UHFFFAOYSA-N	0	3	249.339	1.582	10	30		BDEEHN
C=CCCCN1CC[C@@H]2OCCN[C@@H]2C1	ZINC000404079309	369419095	/nfs/dbraw/zinc/41/90/95/369419095.db2.gz	OTHUZUCDTGCGSU-NEPJUHHUSA-N	0	3	210.321	1.015	10	30		BDEEHN
CCN1CC[C@H](Nc2ccc(C#N)c(C)n2)C1	ZINC000389291637	371127841	/nfs/dbraw/zinc/12/78/41/371127841.db2.gz	XTHZKTSLVUGFPD-LBPRGKRZSA-N	0	3	230.315	1.190	10	30		BDEEHN
CCC[C@H](O)CN[C@H]1CCCC[C@@H]1C#N	ZINC000217875130	372022550	/nfs/dbraw/zinc/02/25/50/372022550.db2.gz	CIIPMDOWIZICCM-WOPDTQHZSA-N	0	3	210.321	1.819	10	30		BDEEHN
CCCOCCOc1ccc(C#CCN)cc1	ZINC000049611042	169310025	/nfs/dbraw/zinc/31/00/25/169310025.db2.gz	YMHFFPYHRHZGHU-UHFFFAOYSA-N	0	3	233.311	1.802	10	30		BDEEHN
C[C@@H]1COCC[C@@H]1N[C@@H]1CCC[C@@H]1C#N	ZINC000300865071	384615002	/nfs/dbraw/zinc/61/50/02/384615002.db2.gz	ONUUFHOQOGJCEE-WISYIIOYSA-N	0	3	208.305	1.693	10	30		BDEEHN
CC#CCCN1CCC[C@H](n2cncn2)C1	ZINC000155558971	384731193	/nfs/dbraw/zinc/73/11/93/384731193.db2.gz	FHHOBUFGZLPJQE-LBPRGKRZSA-N	0	3	218.304	1.328	10	30		BDEEHN
N#CCCCN1CCC[C@@H](n2cncn2)C1	ZINC000105898463	384816943	/nfs/dbraw/zinc/81/69/43/384816943.db2.gz	XESZLVKGWKKSOM-LLVKDONJSA-N	0	3	219.292	1.219	10	30		BDEEHN
CCOCCN1CCN(CCCC#N)C[C@@H]1C	ZINC000105834999	384802150	/nfs/dbraw/zinc/80/21/50/384802150.db2.gz	QWRYNIJWVSURLQ-ZDUSSCGKSA-N	0	3	239.363	1.333	10	30		BDEEHN
C#CCN(C)[C@H]1CCCN(c2cccnn2)C1	ZINC000105802962	533112250	/nfs/dbraw/zinc/11/22/50/533112250.db2.gz	FBGROWWSYNQDRQ-LBPRGKRZSA-N	0	3	230.315	1.010	10	30		BDEEHN
C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CCC[C@H]1C#N	ZINC000408337253	386128046	/nfs/dbraw/zinc/12/80/46/386128046.db2.gz	FNNLNAHHHIETJI-RNJOBUHISA-N	0	3	249.358	1.668	10	30		BDEEHN
N#CC1(CN2C[C@@H]3CC[C@@H](O)C[C@H]3C2)CC1	ZINC000425527168	386311758	/nfs/dbraw/zinc/31/17/58/386311758.db2.gz	LSRXXHFCVFYHNZ-SDDRHHMPSA-N	0	3	220.316	1.383	10	30		BDEEHN
C/[N+]([O-])=C/c1ccc(Br)cc1	ZINC000575427743	387055620	/nfs/dbraw/zinc/05/56/20/387055620.db2.gz	CNXLESCAXUFVHG-POHAHGRESA-N	0	3	215.070	1.900	10	30		BDEEHN
CC#CCNC(=O)N[C@H](CC(C)C)CN(C)C	ZINC000135614945	388502179	/nfs/dbraw/zinc/50/21/79/388502179.db2.gz	ZDFSNRBACVTQRO-GFCCVEGCSA-N	0	3	239.363	1.285	10	30		BDEEHN
C=C[C@@](C)(CC)C(=O)N1CCN2CCC[C@H]2C1	ZINC000248868820	388696522	/nfs/dbraw/zinc/69/65/22/388696522.db2.gz	BIBMQOBFBWRRKH-JSGCOSHPSA-N	0	3	236.359	1.895	10	30		BDEEHN
C=C(C)C[C@H](C)C(=O)N1CC[C@H](N(C)C)C1	ZINC000185457013	533534472	/nfs/dbraw/zinc/53/44/72/533534472.db2.gz	GSZGXFXJUFCRRR-RYUDHWBXSA-N	0	3	224.348	1.751	10	30		BDEEHN
C[C@@H](CC#N)N1CCN(CC2CC2)CC1	ZINC000042375326	322838136	/nfs/dbraw/zinc/83/81/36/322838136.db2.gz	ULYYXUNPBJGJJY-NSHDSACASA-N	0	3	207.321	1.316	10	30		BDEEHN
N#Cc1cnccc1N1CCN2CCC[C@H]2C1	ZINC000364329631	132312000	/nfs/dbraw/zinc/31/20/00/132312000.db2.gz	WYWZIFYUXBEMEO-LBPRGKRZSA-N	0	3	228.299	1.238	10	30		BDEEHN
Cc1cnc([C@@H](C)NC(=O)C(C)C#N)o1	ZINC000226615364	134368032	/nfs/dbraw/zinc/36/80/32/134368032.db2.gz	SVDFOQKUJROTJC-POYBYMJQSA-N	0	3	207.233	1.320	10	30		BDEEHN
C[C@H](C#N)N1CC[C@H]2[C@H](CCCN2C2CC2)C1	ZINC000248471772	135012531	/nfs/dbraw/zinc/01/25/31/135012531.db2.gz	VWFFZQWZGSAKTG-BZPMIXESSA-N	0	3	233.359	1.847	10	30		BDEEHN
N#Cc1csc(CNC[C@@H]2CCC[C@@H]2O)c1	ZINC000086500350	135088380	/nfs/dbraw/zinc/08/83/80/135088380.db2.gz	UTLHHGDOVUQVNS-JQWIXIFHSA-N	0	3	236.340	1.870	10	30		BDEEHN
C[C@H]1CN2CCC[C@H]2CN1C(=O)C(C)(C)C#N	ZINC000252674983	135095814	/nfs/dbraw/zinc/09/58/14/135095814.db2.gz	WLLDFFGPRQUGEM-QWRGUYRKSA-N	0	3	235.331	1.231	10	30		BDEEHN
C#CCN1C[C@H]2CCCCN2C[C@H]1CC	ZINC000086929564	135103041	/nfs/dbraw/zinc/10/30/41/135103041.db2.gz	VUTHDJNYROCSAF-CHWSQXEVSA-N	0	3	206.333	1.568	10	30		BDEEHN
C[C@H](N[C@@H]1CCC[C@H]1C#N)[C@H]1CCOC1	ZINC000252933648	135117466	/nfs/dbraw/zinc/11/74/66/135117466.db2.gz	DAQQDFWQKFIDLE-FIQHERPVSA-N	0	3	208.305	1.693	10	30		BDEEHN
C#CC[NH2+][C@H](C)c1ccc(OC)cc1[O-]	ZINC000020084767	166192558	/nfs/dbraw/zinc/19/25/58/166192558.db2.gz	WJPSKGPCVUPWMU-SECBINFHSA-N	0	3	205.257	1.685	10	30		BDEEHN
CC(C)OCCOc1ccccc1C#CCN	ZINC000049260986	167249364	/nfs/dbraw/zinc/24/93/64/167249364.db2.gz	WSNMPXAGIZDPCC-UHFFFAOYSA-N	0	3	233.311	1.801	10	30		BDEEHN
CC(C)Oc1ccc(F)cc1C#CCN	ZINC000037471112	167295924	/nfs/dbraw/zinc/29/59/24/167295924.db2.gz	YFUVRRASLYSCHO-UHFFFAOYSA-N	0	3	207.248	1.923	10	30		BDEEHN
CCC(C)(C)NC(=O)c1cccc(C#CCN)c1	ZINC000037569785	168298006	/nfs/dbraw/zinc/29/80/06/168298006.db2.gz	TTXAENGAQNXOOI-UHFFFAOYSA-N	0	3	244.338	1.915	10	30		BDEEHN
CCNC(C)(C)C(=O)Nc1sccc1C#N	ZINC000061298787	170107249	/nfs/dbraw/zinc/10/72/49/170107249.db2.gz	DGNHSQZEZFFPMI-UHFFFAOYSA-N	0	3	237.328	1.946	10	30		BDEEHN
CCN[C@H](C#N)CCN(C)C[C@@H]1CCCOC1	ZINC000104199837	170155781	/nfs/dbraw/zinc/15/57/81/170155781.db2.gz	JSJRTPUIEDEINO-STQMWFEESA-N	0	3	239.363	1.237	10	30		BDEEHN
CCOC(=O)C(=O)C(C#N)c1ccccc1OC	ZINC000041298801	170184077	/nfs/dbraw/zinc/18/40/77/170184077.db2.gz	KPWSBGMEXLMWFC-JTQLQIEISA-N	0	3	247.250	1.435	10	30		BDEEHN
CC[C@H](C#N)N(C)C1CCN(CC)CC1	ZINC000043556797	171218893	/nfs/dbraw/zinc/21/88/93/171218893.db2.gz	JNHLCRFBKAHQMV-LLVKDONJSA-N	0	3	209.337	1.705	10	30		BDEEHN
CC[C@H](C)[C@@H](N)C(=O)Nc1sccc1C#N	ZINC000040851975	171372493	/nfs/dbraw/zinc/37/24/93/171372493.db2.gz	DFLUJNUMVNVDHM-IONNQARKSA-N	0	3	237.328	1.932	10	30		BDEEHN
CN1CC[C@H](NCc2ccccc2OCC#N)C1	ZINC000042545617	173151793	/nfs/dbraw/zinc/15/17/93/173151793.db2.gz	KDZUVTIAYTVLSN-ZDUSSCGKSA-N	0	3	245.326	1.383	10	30		BDEEHN
CNC(C)(C)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000061319225	173318336	/nfs/dbraw/zinc/31/83/36/173318336.db2.gz	OFZBZZZFZRUOCC-UHFFFAOYSA-N	0	3	235.262	1.634	10	30		BDEEHN
COCCCNCc1ccccc1OCC#N	ZINC000034990903	174248622	/nfs/dbraw/zinc/24/86/22/174248622.db2.gz	MXDOCYBDZMRQON-UHFFFAOYSA-N	0	3	234.299	1.715	10	30		BDEEHN
COc1cccc2c(NC(=N)N)nccc12	ZINC000026962810	175300095	/nfs/dbraw/zinc/30/00/95/175300095.db2.gz	CSQJHTXXJQTCGX-UHFFFAOYSA-N	0	3	216.244	1.148	10	30		BDEEHN
C[C@@H]1CC[C@@H](C(N)=O)CN1[C@@H]1CCC[C@@H]1C#N	ZINC000042428745	176196443	/nfs/dbraw/zinc/19/64/43/176196443.db2.gz	DTQYZLFDMSLLAP-DDHJBXDOSA-N	0	3	235.331	1.264	10	30		BDEEHN
C[C@@H]1C[C@@H]1C(=O)NCc1cccc(C#CCN)c1	ZINC000049586522	176386271	/nfs/dbraw/zinc/38/62/71/176386271.db2.gz	QQDRRPLEWWOAHQ-RISCZKNCSA-N	0	3	242.322	1.269	10	30		BDEEHN
C[C@H]1C[C@H]1C(=O)Nc1ccc(C#CCN)cc1F	ZINC000037551356	177376918	/nfs/dbraw/zinc/37/69/18/177376918.db2.gz	AENNFXABUQRQIR-GXSJLCMTSA-N	0	3	246.285	1.730	10	30		BDEEHN
C=CCCCN(C)C(=O)[C@H](N)CC(C)C	ZINC000158397712	487955896	/nfs/dbraw/zinc/95/58/96/487955896.db2.gz	FYFXGHDCRXMGNC-LLVKDONJSA-N	0	3	212.337	1.784	10	30		BDEEHN
C=CCCCC(=O)N[C@@H]1CCCN(CC)C1	ZINC000175397616	534664229	/nfs/dbraw/zinc/66/42/29/534664229.db2.gz	ARCHFUJWJFPMOH-GFCCVEGCSA-N	0	3	224.348	1.943	10	30		BDEEHN
C#C[C@@H](NC[C@@H](O)COCCCC)C(C)C	ZINC000300905885	527290444	/nfs/dbraw/zinc/29/04/44/527290444.db2.gz	LKJZHEAEUVLUCT-CHWSQXEVSA-N	0	3	227.348	1.411	10	30		BDEEHN
CC[C@@H](C)CN1CCCC[C@H]1C(N)=NO	ZINC000252465447	535514110	/nfs/dbraw/zinc/51/41/10/535514110.db2.gz	FOZNJJIBVRUHGM-ZJUUUORDSA-N	0	3	213.325	1.633	10	30		BDEEHN
C=C(Cl)CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1	ZINC000306766617	643242110	/nfs/dbraw/zinc/24/21/10/643242110.db2.gz	BNARTDHUJKFMJH-AXFHLTTASA-N	0	3	215.724	1.832	10	30		BDEEHN
C=CCCOCCNC(=O)[C@H](N)[C@@H](C)CC	ZINC000182816412	136228579	/nfs/dbraw/zinc/22/85/79/136228579.db2.gz	NIKYEASSRVVTCE-WDEREUQCSA-N	0	3	228.336	1.069	10	30		BDEEHN
Cc1c([C@H](C)N)nnn1-c1cc(C#N)ccc1C	ZINC000050436682	178366382	/nfs/dbraw/zinc/36/63/82/178366382.db2.gz	BSCPWMBTYWQQGZ-VIFPVBQESA-N	0	3	241.298	1.776	10	30		BDEEHN
Cc1cc(N(C)CCN(C)C)c(C#N)c(C)n1	ZINC000157437315	398260461	/nfs/dbraw/zinc/26/04/61/398260461.db2.gz	VVEDQSBJFAXACF-UHFFFAOYSA-N	0	3	232.331	1.568	10	30		BDEEHN
CC(C)(C)C(=O)C[n+]1ccc(/C=N/[O-])cc1	ZINC000001920138	342713685	/nfs/dbraw/zinc/71/36/85/342713685.db2.gz	DOVGKEZPAQXELV-UHFFFAOYSA-O	0	3	221.280	1.397	10	30		BDEEHN
CCN1CC[C@H](NCc2ccc(C#N)cc2F)C1	ZINC000389177949	342800615	/nfs/dbraw/zinc/80/06/15/342800615.db2.gz	PNZJHYSSCOOIHA-ZDUSSCGKSA-N	0	3	247.317	1.881	10	30		BDEEHN
C=C(C)C[C@@H](N)[C@H]1CCCCS1(=O)=O	ZINC000130860886	398285043	/nfs/dbraw/zinc/28/50/43/398285043.db2.gz	ZPVOGKMEOBHTMS-NXEZZACHSA-N	0	3	217.334	1.247	10	30		BDEEHN
Cn1cc[n+](C)c1COc1ccc(/C=N/[O-])cc1	ZINC000106106998	398326412	/nfs/dbraw/zinc/32/64/12/398326412.db2.gz	XUNSJOGPFZUWRO-NTEUORMPSA-O	0	3	246.290	1.237	10	30		BDEEHN
NCC#Cc1ccc(Br)cn1	ZINC000140189215	343071315	/nfs/dbraw/zinc/07/13/15/343071315.db2.gz	SWAUJHLQDMBBBN-UHFFFAOYSA-N	0	3	211.062	1.154	10	30		BDEEHN
C=C(C)CN1CCCN(c2ccc(C)nn2)CC1	ZINC000105909434	136363394	/nfs/dbraw/zinc/36/33/94/136363394.db2.gz	RPTWWQAMWXCJBH-UHFFFAOYSA-N	0	3	246.358	1.873	10	30		BDEEHN
COC(=O)C[C@@H](N)c1ccc(C#N)c(F)c1	ZINC000205411450	343626622	/nfs/dbraw/zinc/62/66/22/343626622.db2.gz	DEMGBZMBIBPQHB-SNVBAGLBSA-N	0	3	222.219	1.260	10	30		BDEEHN
N#Cc1csc(CN2CCN3CCC[C@@H]3C2)c1	ZINC000179550227	346987954	/nfs/dbraw/zinc/98/79/54/346987954.db2.gz	GUIZNOIVXJCSBB-GFCCVEGCSA-N	0	3	247.367	1.900	10	30		BDEEHN
NCC#Cc1cccc(Br)c1F	ZINC000236203075	344317257	/nfs/dbraw/zinc/31/72/57/344317257.db2.gz	AZPWFUVHTZFUPU-UHFFFAOYSA-N	0	3	228.064	1.898	10	30		BDEEHN
C[C@@H]1CN(C)CCN1C/C=C/CS	ZINC000235485534	344924104	/nfs/dbraw/zinc/92/41/04/344924104.db2.gz	YWMPVXWYJQLSOR-HMDXOVGESA-N	0	3	200.351	1.108	10	30		BDEEHN
Cn1cncc1[C@](C)(N)c1ccc(C#N)c(F)c1	ZINC000143347558	345865224	/nfs/dbraw/zinc/86/52/24/345865224.db2.gz	JFKANKQIIHQENU-CYBMUJFWSA-N	0	3	244.273	1.653	10	30		BDEEHN
CC(C)(CO)Oc1ccccc1C#CCN	ZINC000201414855	346534159	/nfs/dbraw/zinc/53/41/59/346534159.db2.gz	IPJACAHMZZDLOY-UHFFFAOYSA-N	0	3	219.284	1.147	10	30		BDEEHN
C[C@H]1C[C@H](O)CN(CC2(CC#N)CC2)C1	ZINC000401518089	346765696	/nfs/dbraw/zinc/76/56/96/346765696.db2.gz	AFSRCWDPJYAHPM-QWRGUYRKSA-N	0	3	208.305	1.383	10	30		BDEEHN
Cc1ccccc1CN(C)C[C@@H](C)/C(N)=N/O	ZINC000042307375	179269280	/nfs/dbraw/zinc/26/92/80/179269280.db2.gz	CHIHGJHYQFOENV-LLVKDONJSA-N	0	3	235.331	1.809	10	30		BDEEHN
C[C@]1(C#N)CCN(C[C@H]2CCC[C@H](O)C2)C1	ZINC000595841392	348376356	/nfs/dbraw/zinc/37/63/56/348376356.db2.gz	LKRPZRGFEKCAPI-RWMBFGLXSA-N	0	3	222.332	1.773	10	30		BDEEHN
CC(=O)N1CCC(N[C@@H]2CCCC[C@H]2C#N)CC1	ZINC000597198791	348674683	/nfs/dbraw/zinc/67/46/83/348674683.db2.gz	PUTLPCJYMUQOTO-GXTWGEPZSA-N	0	3	249.358	1.669	10	30		BDEEHN
Cc1nccn1Cc1cccc(C#CCN)c1	ZINC000049610090	180270427	/nfs/dbraw/zinc/27/04/27/180270427.db2.gz	CLYKCPRKZREKSD-UHFFFAOYSA-N	0	3	225.295	1.550	10	30		BDEEHN
N#Cc1ccccc1[C@@H]1CCN(CCO)C1	ZINC000616626095	351087693	/nfs/dbraw/zinc/08/76/93/351087693.db2.gz	QTJRFVYBAPAKLE-GFCCVEGCSA-N	0	3	216.284	1.340	10	30		BDEEHN
N#Cc1ccc([C@@H]2CCN(CCO)CCO2)cc1	ZINC000616665468	351222640	/nfs/dbraw/zinc/22/26/40/351222640.db2.gz	KHFNTLFHUVYNEV-AWEZNQCLSA-N	0	3	246.310	1.314	10	30		BDEEHN
C=CC[C@@H]1CCN(C(=O)[C@H](N)CCC)C1	ZINC000638472067	352281769	/nfs/dbraw/zinc/28/17/69/352281769.db2.gz	OFQKWJVHHCLGEE-GHMZBOCLSA-N	0	3	210.321	1.538	10	30		BDEEHN
N#C[C@H]1CCCC[C@@H]1NCCCCCO	ZINC000229125608	352591534	/nfs/dbraw/zinc/59/15/34/352591534.db2.gz	FCJCTBAZOLXIEO-NEPJUHHUSA-N	0	3	210.321	1.821	10	30		BDEEHN
O=CCC[C@@]1(O)CCN(Cc2ccccc2)C1	ZINC000307702886	353021674	/nfs/dbraw/zinc/02/16/74/353021674.db2.gz	UWFZAUQWMGNDHY-CQSZACIVSA-N	0	3	233.311	1.603	10	30		BDEEHN
C=CCNC[C@@H](O)COc1ccc(C)cc1C	ZINC000033465470	188233605	/nfs/dbraw/zinc/23/36/05/188233605.db2.gz	UXLDQZQSIFHJLG-CYBMUJFWSA-N	0	3	235.327	1.819	10	30		BDEEHN
CC(C)[C@H](N)C(=O)Nc1ccc(C#N)cc1	ZINC000011959147	188279141	/nfs/dbraw/zinc/27/91/41/188279141.db2.gz	QRVLEZXHKAARDQ-NSHDSACASA-N	0	3	217.272	1.480	10	30		BDEEHN
C=CCNCc1c(C)nc2sccn21	ZINC000037184974	188279497	/nfs/dbraw/zinc/27/94/97/188279497.db2.gz	GWSCHMUTMRNBRY-UHFFFAOYSA-N	0	3	207.302	1.980	10	30		BDEEHN
CC(C)(CO)NCc1cc(C#N)ccc1F	ZINC000035186774	188284699	/nfs/dbraw/zinc/28/46/99/188284699.db2.gz	QZZVPDNWCNSHCF-UHFFFAOYSA-N	0	3	222.263	1.558	10	30		BDEEHN
CC(C)C[C@H](N)C(=O)NCc1cccc(C#N)c1	ZINC000037748642	188288191	/nfs/dbraw/zinc/28/81/91/188288191.db2.gz	AHFBVJXPBSVWBC-ZDUSSCGKSA-N	0	3	245.326	1.548	10	30		BDEEHN
N#Cc1cccc([C@](O)(CN)C(F)(F)F)c1	ZINC000062784324	188303396	/nfs/dbraw/zinc/30/33/96/188303396.db2.gz	HCSIGQASTKYLST-SECBINFHSA-N	0	3	230.189	1.267	10	30		BDEEHN
COC(=O)[C@H]1CCN(CCCCC#N)C[C@@H]1C	ZINC000191852079	353514038	/nfs/dbraw/zinc/51/40/38/353514038.db2.gz	MJRYNTSXUYJBEB-RYUDHWBXSA-N	0	3	238.331	1.811	10	30		BDEEHN
C#CCCCC(=O)N1CCN2CCC[C@@H]2C1	ZINC000192114762	353542520	/nfs/dbraw/zinc/54/25/20/353542520.db2.gz	HYXLXAFAIRJCPU-GFCCVEGCSA-N	0	3	220.316	1.097	10	30		BDEEHN
N#CCn1nc(-c2cccs2)c2c1CCNC2	ZINC000082811354	181051873	/nfs/dbraw/zinc/05/18/73/181051873.db2.gz	QGGLSJYUCUCOPQ-UHFFFAOYSA-N	0	3	244.323	1.781	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1NC1(CO)CCCCC1	ZINC000054829891	181060060	/nfs/dbraw/zinc/06/00/60/181060060.db2.gz	WESSLFJESXYRLH-RYUDHWBXSA-N	0	3	222.332	1.963	10	30		BDEEHN
N#C[C@H]1CCC[C@@H]1NC(=O)C1(N)CCCC1	ZINC000061890683	181068729	/nfs/dbraw/zinc/06/87/29/181068729.db2.gz	ANFYYGBXXUDRDD-ZJUUUORDSA-N	0	3	221.304	1.066	10	30		BDEEHN
N#Cc1ccc([C@H](NCC2CC2)C(N)=O)cc1	ZINC000037947112	181130143	/nfs/dbraw/zinc/13/01/43/181130143.db2.gz	BQUXPEJJSFCPSH-LBPRGKRZSA-N	0	3	229.283	1.084	10	30		BDEEHN
CCN1CC[C@@H](NC(=O)[C@](C)(C#N)CC)C1	ZINC000389666326	357012868	/nfs/dbraw/zinc/01/28/68/357012868.db2.gz	DDFKWNQWRVMZNB-PWSUYJOCSA-N	0	3	223.320	1.137	10	30		BDEEHN
C=CCCCCCN(C)C(=O)[C@H]1C[C@H](F)CN1	ZINC000188584628	357563803	/nfs/dbraw/zinc/56/38/03/357563803.db2.gz	WYFOULLMTDZBMU-NWDGAFQWSA-N	0	3	242.338	1.891	10	30		BDEEHN
C=CCC[C@@H](O)CN1CCS[C@@H](C)C1	ZINC000127039799	358558971	/nfs/dbraw/zinc/55/89/71/358558971.db2.gz	GYQPWHFCSXFQBL-WDEREUQCSA-N	0	3	215.362	1.751	10	30		BDEEHN
C[C@@H]1OCC[C@H]1NCC#Cc1ccccc1	ZINC000134541692	358794186	/nfs/dbraw/zinc/79/41/86/358794186.db2.gz	HUJCCSKYPRDWHN-GXTWGEPZSA-N	0	3	215.296	1.805	10	30		BDEEHN
CCN1CCC[C@@H](NC(=O)[C@@](C)(C#N)CC)C1	ZINC000136209245	358868724	/nfs/dbraw/zinc/86/87/24/358868724.db2.gz	PEGWPFAVVFNMAV-DGCLKSJQSA-N	0	3	237.347	1.527	10	30		BDEEHN
C#CCOc1cccc(CNC[C@@H](C)O)c1	ZINC000045946118	359745495	/nfs/dbraw/zinc/74/54/95/359745495.db2.gz	LTNGGORDLKIVBV-LLVKDONJSA-N	0	3	219.284	1.169	10	30		BDEEHN
C=CCN(CC=C)Cc1ccc(=O)n(C)c1	ZINC000065285840	361375051	/nfs/dbraw/zinc/37/50/51/361375051.db2.gz	OQZZPWXXFZQAQB-UHFFFAOYSA-N	0	3	218.300	1.559	10	30		BDEEHN
N/C(=N/O)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000070663332	361706381	/nfs/dbraw/zinc/70/63/81/361706381.db2.gz	KAESBAKIUKFGIM-LBPRGKRZSA-N	0	3	233.315	1.645	10	30		BDEEHN
NCC#Cc1ccc(Cn2ccccc2=O)cc1	ZINC000049610042	181346405	/nfs/dbraw/zinc/34/64/05/181346405.db2.gz	KXXVWXYSGNSSOD-UHFFFAOYSA-N	0	3	238.290	1.207	10	30		BDEEHN
NCC#Cc1ccc(CN2CCCC2)c(F)c1	ZINC000049608367	181346512	/nfs/dbraw/zinc/34/65/12/181346512.db2.gz	DELULWKKQGAGSC-UHFFFAOYSA-N	0	3	232.302	1.732	10	30		BDEEHN
N#Cc1ccc(N2CCCN(C3CC3)CC2)nc1	ZINC000057857699	369455140	/nfs/dbraw/zinc/45/51/40/369455140.db2.gz	CHBBLKYJMIZVNC-UHFFFAOYSA-N	0	3	242.326	1.628	10	30		BDEEHN
CCc1nc(C#N)cc(N[C@@H]2CCN(CC)C2)n1	ZINC000308167198	370106418	/nfs/dbraw/zinc/10/64/18/370106418.db2.gz	KONZEDMQXCACLK-SNVBAGLBSA-N	0	3	245.330	1.417	10	30		BDEEHN
CN(C)C(=O)CCCN[C@@H]1CCCC[C@@H]1C#N	ZINC000390264887	371192132	/nfs/dbraw/zinc/19/21/32/371192132.db2.gz	PKWAPORAPHFGBI-VXGBXAGGSA-N	0	3	237.347	1.527	10	30		BDEEHN
C=C(C)[C@H](NC)[C@@H]1CCCCS1(=O)=O	ZINC000131398998	371599565	/nfs/dbraw/zinc/59/95/65/371599565.db2.gz	SSYDSXKDPVQIAK-UWVGGRQHSA-N	0	3	217.334	1.118	10	30		BDEEHN
CNC(=NN)c1ccc(Br)c(C)c1	ZINC000132110721	371754411	/nfs/dbraw/zinc/75/44/11/371754411.db2.gz	QQIAWOLGMGOJIN-UHFFFAOYSA-N	0	3	242.120	1.597	10	30		BDEEHN
C#CC[C@@H](N)c1ncccc1Br	ZINC000133208165	372005948	/nfs/dbraw/zinc/00/59/48/372005948.db2.gz	KMHLEWHQQSYKIL-MRVPVSSYSA-N	0	3	225.089	1.867	10	30		BDEEHN
CS[C@@H]1CCC[C@H]1NC(=O)C(C)C#N	ZINC000231677956	372070003	/nfs/dbraw/zinc/07/00/03/372070003.db2.gz	PKMYKNYLCPFBGK-DJLDLDEBSA-N	0	3	212.318	1.546	10	30		BDEEHN
C=C([C@H](N)[C@H]1OCC[C@H]1C)C(F)(F)F	ZINC000307759506	372145618	/nfs/dbraw/zinc/14/56/18/372145618.db2.gz	RXDPDZGADJTTDC-DTLFHODZSA-N	0	3	209.211	1.857	10	30		BDEEHN
C=C(Br)CN[C@@H]1CCN(C)C1	ZINC000042546882	374274899	/nfs/dbraw/zinc/27/48/99/374274899.db2.gz	WIEFQNSLSXLHCF-MRVPVSSYSA-N	0	3	219.126	1.189	10	30		BDEEHN
CCCN(C)Cc1cc(C#CCO)ccc1OC	ZINC000049617729	169081130	/nfs/dbraw/zinc/08/11/30/169081130.db2.gz	WCNVHIBTDODNMH-UHFFFAOYSA-N	0	3	247.338	1.881	10	30		BDEEHN
CCC[C@@H](C)NC(=O)c1ccc(C#CCN)cn1	ZINC000061871600	169368929	/nfs/dbraw/zinc/36/89/29/169368929.db2.gz	PSTICFLVEIAEBF-LLVKDONJSA-N	0	3	245.326	1.310	10	30		BDEEHN
C[C@H]1NC(=O)CC[C@H]1NCc1cc(C#N)cs1	ZINC000336172985	383981760	/nfs/dbraw/zinc/98/17/60/383981760.db2.gz	LSOGPPLVWQLWSK-LDYMZIIASA-N	0	3	249.339	1.376	10	30		BDEEHN
CN(CC#N)CCN(C)Cc1ccc(F)cc1	ZINC000181678896	385554167	/nfs/dbraw/zinc/55/41/67/385554167.db2.gz	SKECGNFNECOVAX-UHFFFAOYSA-N	0	3	235.306	1.713	10	30		BDEEHN
CN1CCC(N[C@@H]2CCC[C@@H]2C#N)CC1	ZINC000054824961	385664267	/nfs/dbraw/zinc/66/42/67/385664267.db2.gz	QWVZBXKWRXAFFB-ZYHUDNBSSA-N	0	3	207.321	1.362	10	30		BDEEHN
N#CC1(CN2C[C@@H]3CC[C@H](O)C[C@H]3C2)CC1	ZINC000425527170	386312721	/nfs/dbraw/zinc/31/27/21/386312721.db2.gz	LSRXXHFCVFYHNZ-SRVKXCTJSA-N	0	3	220.316	1.383	10	30		BDEEHN
C[C@@H]1[C@H](NCC#N)CCN1Cc1ccccc1	ZINC000307416377	386649508	/nfs/dbraw/zinc/64/95/08/386649508.db2.gz	LFZFPOCZSPQVIY-TZMCWYRMSA-N	0	3	229.327	1.763	10	30		BDEEHN
C#CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000575451289	386799518	/nfs/dbraw/zinc/79/95/18/386799518.db2.gz	SFUPMQBSFDUPMB-GXTWGEPZSA-N	0	3	242.322	1.399	10	30		BDEEHN
CC(C#N)C(=O)c1c(Br)cnn1C	ZINC000575481037	387170054	/nfs/dbraw/zinc/17/00/54/387170054.db2.gz	CCAMQQLTYNNUSD-YFKPBYRVSA-N	0	3	242.076	1.525	10	30		BDEEHN
CNCC#Cc1ccc(Br)cn1	ZINC000575506325	387373422	/nfs/dbraw/zinc/37/34/22/387373422.db2.gz	FFXQADYAYPMJMV-UHFFFAOYSA-N	0	3	225.089	1.415	10	30		BDEEHN
C=CC1CCN(C(=O)[C@@]2(C)CCCCN2)CC1	ZINC000237747156	387378635	/nfs/dbraw/zinc/37/86/35/387378635.db2.gz	HVQZGXCKGBZXCJ-CQSZACIVSA-N	0	3	236.359	1.943	10	30		BDEEHN
CCC[C@@H]1C[C@@H]1NC(=O)[C@H](N)CCCC#N	ZINC000424121351	387583565	/nfs/dbraw/zinc/58/35/65/387583565.db2.gz	IJNLCKGGAHYOGF-MXWKQRLJSA-N	0	3	223.320	1.312	10	30		BDEEHN
C[C@@H](CO)CNC1CC(C#N)(c2ccccc2)C1	ZINC000086623779	388104892	/nfs/dbraw/zinc/10/48/92/388104892.db2.gz	AIWXAZFAPGCTBN-LRVUVFPRSA-N	0	3	244.338	1.828	10	30		BDEEHN
C#CCN(C)CCCNC(=O)C1CC(C)C1	ZINC000491802194	388321510	/nfs/dbraw/zinc/32/15/10/388321510.db2.gz	FRAHPHQMMKHHGL-UHFFFAOYSA-N	0	3	222.332	1.104	10	30		BDEEHN
N#Cc1csc(CN2CCN3CCC[C@H]3C2)c1	ZINC000245715245	388430014	/nfs/dbraw/zinc/43/00/14/388430014.db2.gz	GUIZNOIVXJCSBB-LBPRGKRZSA-N	0	3	247.367	1.900	10	30		BDEEHN
C#CCCCCC(=O)N1CCN2CCC[C@H]2C1	ZINC000179913230	134325260	/nfs/dbraw/zinc/32/52/60/134325260.db2.gz	SHUBALAVCMSQDL-ZDUSSCGKSA-N	0	3	234.343	1.487	10	30		BDEEHN
N#CC1(CN2CCC[C@@H](c3nc[nH]n3)C2)CC1	ZINC000408108578	134394391	/nfs/dbraw/zinc/39/43/91/134394391.db2.gz	BAHNZXFONUKQLJ-SNVBAGLBSA-N	0	3	231.303	1.288	10	30		BDEEHN
N/C(=N/O)[C@H]1CCCCN1C1CCCC1	ZINC000070662793	135006767	/nfs/dbraw/zinc/00/67/67/135006767.db2.gz	VOAOHSHYHPYDMG-SNVBAGLBSA-N	0	3	211.309	1.530	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1NCC[C@H]1CCCO1	ZINC000250628452	135057342	/nfs/dbraw/zinc/05/73/42/135057342.db2.gz	CFHHOBDNPXCBAS-TUAOUCFPSA-N	0	3	208.305	1.837	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1NC[C@H]1CCCOC1	ZINC000250682713	135057816	/nfs/dbraw/zinc/05/78/16/135057816.db2.gz	ZFUWFLPBBJHIMI-WOPDTQHZSA-N	0	3	208.305	1.695	10	30		BDEEHN
Cc1cc(C#N)cc(N2CCN3CCC[C@H]3C2)n1	ZINC000253114594	135121854	/nfs/dbraw/zinc/12/18/54/135121854.db2.gz	FGQPKCXSGVAJNP-ZDUSSCGKSA-N	0	3	242.326	1.546	10	30		BDEEHN
C=CCCC(C)(C)NC(=O)[C@H]1CNCCOC1	ZINC000662952072	409987104	/nfs/dbraw/zinc/98/71/04/409987104.db2.gz	CGSROKWTMHYVRX-NSHDSACASA-N	0	3	240.347	1.083	10	30		BDEEHN
C#CC[NH2+][C@@H](C)c1ccc(OC)cc1[O-]	ZINC000020084769	166191403	/nfs/dbraw/zinc/19/14/03/166191403.db2.gz	WJPSKGPCVUPWMU-VIFPVBQESA-N	0	3	205.257	1.685	10	30		BDEEHN
C=CCCCNCc1c(C)nn(C)c1OC	ZINC000279065657	166241757	/nfs/dbraw/zinc/24/17/57/166241757.db2.gz	FRPNMEFXDXCJMY-UHFFFAOYSA-N	0	3	223.320	1.793	10	30		BDEEHN
C=CCN(CCc1ccco1)C(=O)[C@H](C)N	ZINC000262099822	166345051	/nfs/dbraw/zinc/34/50/51/166345051.db2.gz	CNINWJFDJBNPFN-JTQLQIEISA-N	0	3	222.288	1.184	10	30		BDEEHN
CCN(CC)CCN[C@H](C#N)c1ccc(O)cc1	ZINC000037941031	169781400	/nfs/dbraw/zinc/78/14/00/169781400.db2.gz	BOYZXJGNBSKQFR-CQSZACIVSA-N	0	3	247.342	1.888	10	30		BDEEHN
CCOC(=O)N(C)Cc1ccc(C#CCN)cc1	ZINC000049587400	170237497	/nfs/dbraw/zinc/23/74/97/170237497.db2.gz	CEYBFINMVIQPQC-UHFFFAOYSA-N	0	3	246.310	1.585	10	30		BDEEHN
CCOC(=O)N(C)CC#CCN1CCCC1	ZINC000013823335	170238069	/nfs/dbraw/zinc/23/80/69/170238069.db2.gz	YMJHGJKFNKBATQ-UHFFFAOYSA-N	0	3	224.304	1.174	10	30		BDEEHN
CCOC(=O)NCc1ccccc1C#CCN	ZINC000049587496	170242272	/nfs/dbraw/zinc/24/22/72/170242272.db2.gz	MSYWCCRRZQVFHC-UHFFFAOYSA-N	0	3	232.283	1.243	10	30		BDEEHN
CCOC(=O)C(C#N)Cc1ccc([N+](=O)[O-])cc1	ZINC000074467732	170244707	/nfs/dbraw/zinc/24/47/07/170244707.db2.gz	PMIHMBXZTOSETH-SNVBAGLBSA-N	0	3	248.238	1.840	10	30		BDEEHN
CC[C@@H](N)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000037807968	170861459	/nfs/dbraw/zinc/86/14/59/170861459.db2.gz	BFMDTIBLQTXXKQ-GFCCVEGCSA-N	0	3	231.299	1.254	10	30		BDEEHN
CC[C@H](C)N[C@@H](C(N)=O)c1cccc(C#N)c1	ZINC000038065165	171345329	/nfs/dbraw/zinc/34/53/29/171345329.db2.gz	OIUMCJNAHKVPGC-JOYOIKCWSA-N	0	3	231.299	1.473	10	30		BDEEHN
CCc1nccn1Cc1ccccc1C#CCN	ZINC000049610280	172028329	/nfs/dbraw/zinc/02/83/29/172028329.db2.gz	ZNNWGQDHUCIXEI-UHFFFAOYSA-N	0	3	239.322	1.804	10	30		BDEEHN
CN1CCC[C@@H](Oc2cccc(N)c2C#N)C1	ZINC000059042959	173022673	/nfs/dbraw/zinc/02/26/73/173022673.db2.gz	OHXJXNWOOLGAIJ-SNVBAGLBSA-N	0	3	231.299	1.613	10	30		BDEEHN
CN(C[C@H]1CCN(C)C1)C(=O)c1ccc(C#N)o1	ZINC000311200212	173142623	/nfs/dbraw/zinc/14/26/23/173142623.db2.gz	HGOIQBFLBDYDLS-JTQLQIEISA-N	0	3	247.298	1.175	10	30		BDEEHN
CN1CC[C@H](Nc2ccc(C#N)cc2)C1	ZINC000048738741	173154407	/nfs/dbraw/zinc/15/44/07/173154407.db2.gz	BFTQMZYTLHOGDC-LBPRGKRZSA-N	0	3	201.273	1.674	10	30		BDEEHN
CNCc1cc2c(cc1OCCCC#N)OCO2	ZINC000042874245	173387013	/nfs/dbraw/zinc/38/70/13/173387013.db2.gz	ISKSUJAEOUAKJD-UHFFFAOYSA-N	0	3	248.282	1.817	10	30		BDEEHN
CNCc1cc(F)c(-n2cnc(C#N)n2)c(F)c1	ZINC000062719925	173387462	/nfs/dbraw/zinc/38/74/62/173387462.db2.gz	XONINXWECUDVEN-UHFFFAOYSA-N	0	3	249.224	1.137	10	30		BDEEHN
COCCN(C)Cc1ccccc1C#CCCO	ZINC000049614783	174280172	/nfs/dbraw/zinc/28/01/72/174280172.db2.gz	CFLRAVFOLDBVOZ-UHFFFAOYSA-N	0	3	247.338	1.499	10	30		BDEEHN
COc1ccc(C#CCN)cc1Cn1cccn1	ZINC000049610052	175051412	/nfs/dbraw/zinc/05/14/12/175051412.db2.gz	BTAGWGPFNUPSQY-UHFFFAOYSA-N	0	3	241.294	1.250	10	30		BDEEHN
COc1ccc(CC(C)N=NC(=N)N)cc1	ZINC000005445947	175083885	/nfs/dbraw/zinc/08/38/85/175083885.db2.gz	HXGOIRJPGDWZEO-RIYZIHGNSA-N	0	3	220.276	1.097	10	30		BDEEHN
COc1ccccc1[C@H](C#N)NCCN(C)C	ZINC000019989710	175350563	/nfs/dbraw/zinc/35/05/63/175350563.db2.gz	OTGXMKVKVFEBMP-LBPRGKRZSA-N	0	3	233.315	1.411	10	30		BDEEHN
C[C@@H]1CCCN1C(=O)c1ccccc1C#CCN	ZINC000037912567	176107143	/nfs/dbraw/zinc/10/71/43/176107143.db2.gz	VJZVNXADNMVVMF-GFCCVEGCSA-N	0	3	242.322	1.621	10	30		BDEEHN
C[C@@H]1CC[C@@H](C(N)=O)CN1[C@@H]1CCCC[C@@H]1C#N	ZINC000042428741	176196697	/nfs/dbraw/zinc/19/66/97/176196697.db2.gz	ZIROMMKPKNJDQK-FDYHWXHSSA-N	0	3	249.358	1.655	10	30		BDEEHN
C[C@H]1CC[C@@H](C(N)=O)CN1[C@@H]1CCCC[C@@H]1C#N	ZINC000042428742	177181741	/nfs/dbraw/zinc/18/17/41/177181741.db2.gz	ZIROMMKPKNJDQK-UMSGYPCISA-N	0	3	249.358	1.655	10	30		BDEEHN
C[C@H]1CO[C@H](c2ccc(C#N)cc2)CN1	ZINC000036673399	177302561	/nfs/dbraw/zinc/30/25/61/177302561.db2.gz	MVERVMLJBAMJOF-CABZTGNLSA-N	0	3	202.257	1.608	10	30		BDEEHN
C[C@H]1C[C@@H](Nc2nccc(C#N)n2)CN1C1CC1	ZINC000297612440	177334892	/nfs/dbraw/zinc/33/48/92/177334892.db2.gz	VRLJUTWZZZVJGD-GXSJLCMTSA-N	0	3	243.314	1.385	10	30		BDEEHN
C=C1CCN(C(=O)[C@H](N)[C@H](C)CC)CC1	ZINC000382550809	487546968	/nfs/dbraw/zinc/54/69/68/487546968.db2.gz	UMOVNQYYBXLQKV-GHMZBOCLSA-N	0	3	210.321	1.538	10	30		BDEEHN
C#CCCNCc1nn(C)c2ccccc12	ZINC000084242813	636875259	/nfs/dbraw/zinc/87/52/59/636875259.db2.gz	INHSABYZCWHSBC-UHFFFAOYSA-N	0	3	213.284	1.686	10	30		BDEEHN
C#CCCNCc1ccc(OC)c(OC)c1OC	ZINC000070246089	643006268	/nfs/dbraw/zinc/00/62/68/643006268.db2.gz	KESUIZHSLGBQEO-UHFFFAOYSA-N	0	3	249.310	1.825	10	30		BDEEHN
N#Cc1cncc(CN2CCC[C@@H]2CCCO)c1	ZINC000721547229	711622630	/nfs/dbraw/zinc/62/26/30/711622630.db2.gz	YCNYLXJLNTZFSJ-CQSZACIVSA-N	0	3	245.326	1.690	10	30		BDEEHN
C=CCC[C@H](C)N[C@@H](C)c1cn(C)nn1	ZINC000720577541	712853872	/nfs/dbraw/zinc/85/38/72/712853872.db2.gz	VOJUERKBNCQIDA-UWVGGRQHSA-N	0	3	208.309	1.820	10	30		BDEEHN
CC[C@@H](C)NCC#CC(=O)OC(C)(C)C	ZINC000685953031	538896708	/nfs/dbraw/zinc/89/67/08/538896708.db2.gz	ISIDOTLIVPDYMC-SNVBAGLBSA-N	0	3	211.305	1.720	10	30		BDEEHN
CC(C)(C)[C@H](O)CN[C@@H]1CCC[C@@H]1C#N	ZINC000308999121	136217121	/nfs/dbraw/zinc/21/71/21/136217121.db2.gz	NLNOGLHYJHLOJK-GMTAPVOTSA-N	0	3	210.321	1.675	10	30		BDEEHN
CCC#C[C@H](C)N[C@@H]1CCC(=O)N[C@H]1C	ZINC000380171770	538986969	/nfs/dbraw/zinc/98/69/69/538986969.db2.gz	DRECSUCGMJEFFN-GARJFASQSA-N	0	3	208.305	1.045	10	30		BDEEHN
C=C(Cl)CN[C@@H]1CCN2CCC[C@@H]12	ZINC000219280688	342854421	/nfs/dbraw/zinc/85/44/21/342854421.db2.gz	FKYCATNDPKKTTL-ZJUUUORDSA-N	0	3	200.713	1.565	10	30		BDEEHN
CC(C)NC(=NN)[C@]1(C)CCCS1	ZINC000164945809	342860616	/nfs/dbraw/zinc/86/06/16/342860616.db2.gz	PIFAZBHUQJQTFZ-VIFPVBQESA-N	0	3	201.339	1.542	10	30		BDEEHN
C#CCOc1cccc(CNCCOC)c1	ZINC000045945879	343013436	/nfs/dbraw/zinc/01/34/36/343013436.db2.gz	MGNOJLAJMKCASQ-UHFFFAOYSA-N	0	3	219.284	1.435	10	30		BDEEHN
C[C@@H](C#CCN1CCCC1)N1CCCC1=O	ZINC000013448073	343088686	/nfs/dbraw/zinc/08/86/86/343088686.db2.gz	LVKGEHAPRFNGNI-LBPRGKRZSA-N	0	3	220.316	1.097	10	30		BDEEHN
C=CCN(C)C[C@H]1NCCc2ccccc21	ZINC000126714572	343171387	/nfs/dbraw/zinc/17/13/87/343171387.db2.gz	NJDDKXXYVUBBOT-CQSZACIVSA-N	0	3	216.328	1.991	10	30		BDEEHN
N#CCn1nc(-c2ccsc2)c2c1CCNC2	ZINC000409438085	343849686	/nfs/dbraw/zinc/84/96/86/343849686.db2.gz	JYPSQQUTLLHQNU-UHFFFAOYSA-N	0	3	244.323	1.781	10	30		BDEEHN
C=CCSCCNCc1cnn(C)c1C	ZINC000126232036	344172146	/nfs/dbraw/zinc/17/21/46/344172146.db2.gz	WQNHTLSZXXJIJN-UHFFFAOYSA-N	0	3	225.361	1.737	10	30		BDEEHN
C=C[C@@]1(C2=NCCN2)COc2ccccc2O1	ZINC000026002699	344119070	/nfs/dbraw/zinc/11/90/70/344119070.db2.gz	UASOMNFQPGGPNL-ZDUSSCGKSA-N	0	3	230.267	1.384	10	30		BDEEHN
N#CCC1(CN2CCN3CCCC[C@@H]3C2)CC1	ZINC000227374284	344124158	/nfs/dbraw/zinc/12/41/58/344124158.db2.gz	UUWUWJNNGMISNG-CYBMUJFWSA-N	0	3	233.359	1.850	10	30		BDEEHN
C#CCOc1c(CNC[C@H](C)O)cccc1OC	ZINC000045946087	192075523	/nfs/dbraw/zinc/07/55/23/192075523.db2.gz	QYAZNAKBDFPULT-NSHDSACASA-N	0	3	249.310	1.178	10	30		BDEEHN
N#Cc1ncc(CN)cc1OC(F)(F)F	ZINC000238692552	344935671	/nfs/dbraw/zinc/93/56/71/344935671.db2.gz	WLYYFJQCKBZSFT-UHFFFAOYSA-N	0	3	217.150	1.311	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1NC[C@H]1CCC[C@H](O)C1	ZINC000300360361	345801959	/nfs/dbraw/zinc/80/19/59/345801959.db2.gz	XOKFHYBAKMVQPT-CYDGBPFRSA-N	0	3	222.332	1.819	10	30		BDEEHN
C#CCN(C)[C@H]1CCc2ccc(N)cc21	ZINC000140253192	345852627	/nfs/dbraw/zinc/85/26/27/345852627.db2.gz	NPSUSPCYQNJLRC-ZDUSSCGKSA-N	0	3	200.285	1.821	10	30		BDEEHN
Cc1ccccc1C(C#N)C(=O)[C@H]1COCCO1	ZINC000055301961	179332576	/nfs/dbraw/zinc/33/25/76/179332576.db2.gz	RLMLYDVNUAKCQS-QWHCGFSZSA-N	0	3	245.278	1.587	10	30		BDEEHN
CC[C@@H](NC(=O)[C@H](N)CCCCC#N)C(C)C	ZINC000594431129	348045756	/nfs/dbraw/zinc/04/57/56/348045756.db2.gz	IEAUANNPYTTXBK-VXGBXAGGSA-N	0	3	239.363	1.948	10	30		BDEEHN
C[C@H](NC1CC(CO)C1)c1cccc(C#N)c1	ZINC000595105816	348196532	/nfs/dbraw/zinc/19/65/32/348196532.db2.gz	YYCCAVXZXLKMLJ-JKDOVBDQSA-N	0	3	230.311	1.980	10	30		BDEEHN
N#C[C@@H]1CCC[C@H]1NCC1(O)CCSCC1	ZINC000595480839	348251965	/nfs/dbraw/zinc/25/19/65/348251965.db2.gz	BBJBRPIZZPDZMN-WDEREUQCSA-N	0	3	240.372	1.526	10	30		BDEEHN
CC(C)Cc1nc(C#N)c(N2CCNCC2)o1	ZINC000616574643	349080609	/nfs/dbraw/zinc/08/06/09/349080609.db2.gz	UTPCWJXXYOBTDH-UHFFFAOYSA-N	0	3	234.303	1.154	10	30		BDEEHN
CC(C)(O)CCN[C@@H]1CCCC[C@@H]1C#N	ZINC000309019355	349304871	/nfs/dbraw/zinc/30/48/71/349304871.db2.gz	SUXKOPBFWCEWSN-GHMZBOCLSA-N	0	3	210.321	1.819	10	30		BDEEHN
C=C(CS)CN1C[C@@H](C)N(C)[C@H](C)C1	ZINC000231633376	350991042	/nfs/dbraw/zinc/99/10/42/350991042.db2.gz	WVKIGHQJOJTXDM-GHMZBOCLSA-N	0	3	214.378	1.497	10	30		BDEEHN
C[C@H]1CCN(C(C)(C)C=O)CCS1	ZINC000306832730	351145239	/nfs/dbraw/zinc/14/52/39/351145239.db2.gz	ONTRLSKXFGNBTR-VIFPVBQESA-N	0	3	201.335	1.791	10	30		BDEEHN
NCC#Cc1occc1Br	ZINC000068980620	351311334	/nfs/dbraw/zinc/31/13/34/351311334.db2.gz	QJNIDZFUOLLQSC-UHFFFAOYSA-N	0	3	200.035	1.352	10	30		BDEEHN
C#CCN[C@@H]1CC[C@@H]2SCCS[C@@H]12	ZINC000306969616	351386620	/nfs/dbraw/zinc/38/66/20/351386620.db2.gz	SITBMZVQRPOLPB-UTLUCORTSA-N	0	3	213.371	1.589	10	30		BDEEHN
COC(=O)[C@@H]1CCCN([C@@H](C)CCC#N)C1	ZINC000411217100	191173079	/nfs/dbraw/zinc/17/30/79/191173079.db2.gz	LGBAMRARDIFQQX-WDEREUQCSA-N	0	3	224.304	1.564	10	30		BDEEHN
CC[C@H](C#N)C(=O)N[C@H](CC(C)C)CN(C)C	ZINC000044825881	352442366	/nfs/dbraw/zinc/44/23/66/352442366.db2.gz	PUWVPOOQNAVJPR-VXGBXAGGSA-N	0	3	239.363	1.629	10	30		BDEEHN
CC#CNC[C@H]1CCc2[nH]c(C)c(C)c2C1=O	ZINC000045809477	352670071	/nfs/dbraw/zinc/67/00/71/352670071.db2.gz	YCYWZYAZEIWEKZ-LLVKDONJSA-N	0	3	230.311	1.947	10	30		BDEEHN
CC(C)CN[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000037946188	188289126	/nfs/dbraw/zinc/28/91/26/188289126.db2.gz	WYOHNCDZWQOAHO-GFCCVEGCSA-N	0	3	231.299	1.330	10	30		BDEEHN
CC(C)(CO)NCc1ccc(F)c(C#N)c1	ZINC000083351806	188315764	/nfs/dbraw/zinc/31/57/64/188315764.db2.gz	WDXAALHGMXZQAW-UHFFFAOYSA-N	0	3	222.263	1.558	10	30		BDEEHN
CC(C)[C@H](C)NC(=O)c1cccc(C#CCN)c1	ZINC000037571783	188325392	/nfs/dbraw/zinc/32/53/92/188325392.db2.gz	XCBDJKYYXLZAAB-LBPRGKRZSA-N	0	3	244.338	1.771	10	30		BDEEHN
N#C[C@@H]1CCCC[C@H]1NC1CCOCC1	ZINC000054825374	181058397	/nfs/dbraw/zinc/05/83/97/181058397.db2.gz	AUPAOICEMUUJJR-CMPLNLGQSA-N	0	3	208.305	1.837	10	30		BDEEHN
N#C[C@@H]1CCC[C@H]1NCCCCn1ccnc1	ZINC000054828282	181059867	/nfs/dbraw/zinc/05/98/67/181059867.db2.gz	AAHAFJFZOZQVNT-QWHCGFSZSA-N	0	3	232.331	1.945	10	30		BDEEHN
N#Cc1cc(Br)nc(CN)c1	ZINC000095766598	181083144	/nfs/dbraw/zinc/08/31/44/181083144.db2.gz	VWADWOICZABAQU-UHFFFAOYSA-N	0	3	212.050	1.174	10	30		BDEEHN
N#Cc1cc(CNC[C@H]2CCCO2)ccc1F	ZINC000083360866	181086377	/nfs/dbraw/zinc/08/63/77/181086377.db2.gz	QMMARPMUEWAHEI-GFCCVEGCSA-N	0	3	234.274	1.966	10	30		BDEEHN
N#Cc1ccc(CNCCn2cncn2)s1	ZINC000165226126	181107846	/nfs/dbraw/zinc/10/78/46/181107846.db2.gz	WBXODFHHQYRTDE-UHFFFAOYSA-N	0	3	233.300	1.001	10	30		BDEEHN
N#Cc1ccc(CNC(=O)[C@H](N)CC2CC2)cc1	ZINC000083371667	181106432	/nfs/dbraw/zinc/10/64/32/181106432.db2.gz	MMOMLWXRJLFJDS-CYBMUJFWSA-N	0	3	243.310	1.302	10	30		BDEEHN
N/C(=N\O)c1ccc(CN2CCCC2)c(F)c1	ZINC000019472873	181181459	/nfs/dbraw/zinc/18/14/59/181181459.db2.gz	WTECGGAFYVTTHQ-UHFFFAOYSA-N	0	3	237.278	1.516	10	30		BDEEHN
N/C(CCCCN1CCc2ccccc2C1)=N/O	ZINC000049580126	181182410	/nfs/dbraw/zinc/18/24/10/181182410.db2.gz	KTZBNLAXDZQULP-UHFFFAOYSA-N	0	3	247.342	1.961	10	30		BDEEHN
N#Cc1cccc(-c2cnn3c2CNCC3)c1	ZINC000675076963	538512807	/nfs/dbraw/zinc/51/28/07/538512807.db2.gz	VBRSCHYNSXDEMW-UHFFFAOYSA-N	0	3	224.267	1.525	10	30		BDEEHN
C=C(Br)CN[C@@H]1CCN2CCC[C@@H]12	ZINC000219280608	357382943	/nfs/dbraw/zinc/38/29/43/357382943.db2.gz	ZEJMEXAZBDRFEB-ZJUUUORDSA-N	0	3	245.164	1.721	10	30		BDEEHN
CCCCCCCCCN[C@H]1CNC1=O	ZINC000584610751	358273735	/nfs/dbraw/zinc/27/37/35/358273735.db2.gz	BQRIQHAHBKJCGB-NSHDSACASA-N	0	3	212.337	1.825	10	30		BDEEHN
CN1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1C#N	ZINC000224380072	359578049	/nfs/dbraw/zinc/57/80/49/359578049.db2.gz	BPYUCMXNIXNWKJ-IJLUTSLNSA-N	0	3	207.321	1.362	10	30		BDEEHN
C=C([C@H](N)c1cncnc1)C(F)(F)F	ZINC000306331624	359633180	/nfs/dbraw/zinc/63/31/80/359633180.db2.gz	GHTDFFLWCVQGLG-ZETCQYMHSA-N	0	3	203.167	1.595	10	30		BDEEHN
C#CCOc1cccc(CN[C@@H](CC)CO)c1	ZINC000045945665	359745907	/nfs/dbraw/zinc/74/59/07/359745907.db2.gz	WMXIWYDJAPSFIC-ZDUSSCGKSA-N	0	3	233.311	1.559	10	30		BDEEHN
NCC#Cc1cccc(NC(=O)c2ccoc2)c1	ZINC000037551227	181346138	/nfs/dbraw/zinc/34/61/38/181346138.db2.gz	LTFCXOULKANMHN-UHFFFAOYSA-N	0	3	240.262	1.842	10	30		BDEEHN
NCC#Cc1cc(F)ccc1NC(=O)CC1CC1	ZINC000049731609	181346047	/nfs/dbraw/zinc/34/60/47/181346047.db2.gz	RYJNYGJIFOGCTF-UHFFFAOYSA-N	0	3	246.285	1.875	10	30		BDEEHN
NCC#Cc1ccc(NC(=O)C2CCC2)cc1	ZINC000037551037	181346883	/nfs/dbraw/zinc/34/68/83/181346883.db2.gz	HMJAKDYLOPWQJD-UHFFFAOYSA-N	0	3	228.295	1.735	10	30		BDEEHN
NCC#Cc1cnc(NC(=O)c2ccco2)s1	ZINC000037550680	181347437	/nfs/dbraw/zinc/34/74/37/181347437.db2.gz	RYKIDDZDTKXPKY-UHFFFAOYSA-N	0	3	247.279	1.299	10	30		BDEEHN
NCC#Cc1ccccc1C(=O)NC1CCC1	ZINC000052214077	181346381	/nfs/dbraw/zinc/34/63/81/181346381.db2.gz	ZGLIYWNNYOUHQZ-UHFFFAOYSA-N	0	3	228.295	1.279	10	30		BDEEHN
NCC#Cc1ccc(F)c(C(=O)N2CCCC2)c1	ZINC000037569763	181346449	/nfs/dbraw/zinc/34/64/49/181346449.db2.gz	XPTLGDPWFUWROP-UHFFFAOYSA-N	0	3	246.285	1.372	10	30		BDEEHN
Cc1nccn1CCN[C@H]1CCC[C@H]1C#N	ZINC000390570142	371217602	/nfs/dbraw/zinc/21/76/02/371217602.db2.gz	NAPRPHJUAZCTBL-RYUDHWBXSA-N	0	3	218.304	1.473	10	30		BDEEHN
CCCN(C)Cc1ccc(/C(N)=N/O)cc1F	ZINC000037098466	169080985	/nfs/dbraw/zinc/08/09/85/169080985.db2.gz	NPTBWFGDUXFDTM-UHFFFAOYSA-N	0	3	239.294	1.762	10	30		BDEEHN
CCCNC1(C#N)C[C@H]2CC[C@@H](C1)N2C	ZINC000020524117	169254977	/nfs/dbraw/zinc/25/49/77/169254977.db2.gz	KBUOVAUBYYQWGJ-FOSCPWQOSA-N	0	3	207.321	1.505	10	30		BDEEHN
CCC[C@@H](C)N(C)CC(=O)N(C)CCC#N	ZINC000035238610	169363620	/nfs/dbraw/zinc/36/36/20/169363620.db2.gz	IDCGHOOJLHOSDB-LLVKDONJSA-N	0	3	225.336	1.479	10	30		BDEEHN
C#CCCN[C@@H]1CCc2c1cccc2O	ZINC000069768716	383846101	/nfs/dbraw/zinc/84/61/01/383846101.db2.gz	MXZLRPUELTYLFT-GFCCVEGCSA-N	0	3	201.269	1.992	10	30		BDEEHN
CC(C)(C)OC(=O)[C@@H](C=O)[C@@H](N)C(C)(C)C	ZINC000091368768	384123328	/nfs/dbraw/zinc/12/33/28/384123328.db2.gz	SQPCRWIJGQALTK-DTWKUNHWSA-N	0	3	229.320	1.517	10	30		BDEEHN
Cn1cc([C@H]2CCN(CCCC#N)C2)cn1	ZINC000116314750	384128479	/nfs/dbraw/zinc/12/84/79/384128479.db2.gz	KZLMOQFZTSYYID-NSHDSACASA-N	0	3	218.304	1.513	10	30		BDEEHN
C[C@H]1OCC[C@H]1NCc1ccc(F)c(C#N)c1	ZINC000235604012	384463468	/nfs/dbraw/zinc/46/34/68/384463468.db2.gz	IMIJSEOGQPGQQO-NOZJJQNGSA-N	0	3	234.274	1.964	10	30		BDEEHN
CO[C@@H]1C[C@H](CO)N(CCC(C)(C)C#N)C1	ZINC000309786458	384608549	/nfs/dbraw/zinc/60/85/49/384608549.db2.gz	SRUNWICONWDWFE-GHMZBOCLSA-N	0	3	226.320	1.008	10	30		BDEEHN
C[C@@H](NCc1ccc(C#N)o1)[C@H]1CCCO1	ZINC000135481931	384828839	/nfs/dbraw/zinc/82/88/39/384828839.db2.gz	QONPKIKPSFEDGF-BXKDBHETSA-N	0	3	220.272	1.808	10	30		BDEEHN
Cc1cccc(C#N)c1N1CCNCC1	ZINC000098213284	385215508	/nfs/dbraw/zinc/21/55/08/385215508.db2.gz	SWOHHEQVMSFYTG-UHFFFAOYSA-N	0	3	201.273	1.276	10	30		BDEEHN
CO[C@H]1CC[C@@H](c2ccc(C#N)cc2)NC1	ZINC000584599209	385468371	/nfs/dbraw/zinc/46/83/71/385468371.db2.gz	UGNSEYXOGNAMLX-STQMWFEESA-N	0	3	216.284	1.998	10	30		BDEEHN
CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C#N	ZINC000408339571	386129110	/nfs/dbraw/zinc/12/91/10/386129110.db2.gz	QKEOUMKFAJCTMK-JHJVBQTASA-N	0	3	249.358	1.669	10	30		BDEEHN
CC(C#N)C(=O)NC[C@@H]1C[C@@H](C)O[C@@H](C)C1	ZINC000343195758	386236996	/nfs/dbraw/zinc/23/69/96/386236996.db2.gz	RRRAUDDDNFDCQK-MMWGEVLESA-N	0	3	224.304	1.466	10	30		BDEEHN
C=C(Br)CN[C@@H]1CCCC[C@H]1O	ZINC000052013782	386872551	/nfs/dbraw/zinc/87/25/51/386872551.db2.gz	ZCUXZBQVSABKFV-RKDXNWHRSA-N	0	3	234.137	1.788	10	30		BDEEHN
CC#CC[C@@H](N)c1c(Br)cnn1C	ZINC000575485085	387255331	/nfs/dbraw/zinc/25/53/31/387255331.db2.gz	YRBBURDOEXEUGG-MRVPVSSYSA-N	0	3	242.120	1.596	10	30		BDEEHN
CO[C@@H]1CC[C@H](c2ccc(C#N)cc2)NC1	ZINC000584599206	387501418	/nfs/dbraw/zinc/50/14/18/387501418.db2.gz	UGNSEYXOGNAMLX-CHWSQXEVSA-N	0	3	216.284	1.998	10	30		BDEEHN
CC[C@H](NC(=O)[C@@H](N)CCCC#N)C(C)C	ZINC000424102714	387527220	/nfs/dbraw/zinc/52/72/20/387527220.db2.gz	LTVOWGWWQLYEQC-QWRGUYRKSA-N	0	3	225.336	1.558	10	30		BDEEHN
C[C@@H](NC(=O)[C@@H](N)CCCC#N)C1CCCC1	ZINC000424134043	387638954	/nfs/dbraw/zinc/63/89/54/387638954.db2.gz	HLJQVIWQOPCHHB-PWSUYJOCSA-N	0	3	237.347	1.702	10	30		BDEEHN
Cn1nccc1C1CCN(CCCC#N)CC1	ZINC000195502613	387915034	/nfs/dbraw/zinc/91/50/34/387915034.db2.gz	PZXOHTCYUKOQBA-UHFFFAOYSA-N	0	3	232.331	1.903	10	30		BDEEHN
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(C)(C)C#N	ZINC000083550514	388055160	/nfs/dbraw/zinc/05/51/60/388055160.db2.gz	WLLDFFGPRQUGEM-GHMZBOCLSA-N	0	3	235.331	1.231	10	30		BDEEHN
N#Cc1cc(N2CCN3CCCC[C@H]3C2)ccn1	ZINC000250255988	388589332	/nfs/dbraw/zinc/58/93/32/388589332.db2.gz	SMDXIOUUMUEYPP-AWEZNQCLSA-N	0	3	242.326	1.628	10	30		BDEEHN
C[C@@H]1NC(=O)CC[C@@H]1NCc1cccc(C#N)c1	ZINC000282233968	388813548	/nfs/dbraw/zinc/81/35/48/388813548.db2.gz	FSFZIXUJQJOAGP-GWCFXTLKSA-N	0	3	243.310	1.315	10	30		BDEEHN
N#CCCCN1CCCN(c2ccccn2)CC1	ZINC000183815403	134356566	/nfs/dbraw/zinc/35/65/66/134356566.db2.gz	MOFISTRIMNHRLN-UHFFFAOYSA-N	0	3	244.342	1.897	10	30		BDEEHN
Cc1cnc([C@H](C)NC(=O)C(C)C#N)o1	ZINC000226615369	134367927	/nfs/dbraw/zinc/36/79/27/134367927.db2.gz	SVDFOQKUJROTJC-XPUUQOCRSA-N	0	3	207.233	1.320	10	30		BDEEHN
CC(C#N)C(=O)N[C@@H]1COc2ccccc21	ZINC000070530839	134919973	/nfs/dbraw/zinc/91/99/73/134919973.db2.gz	VQDHRBMRTJQLHR-PSASIEDQSA-N	0	3	216.240	1.396	10	30		BDEEHN
CCN(C[C@H](C)C#N)[C@H]1CCCC[C@H]1O	ZINC000252432374	135088671	/nfs/dbraw/zinc/08/86/71/135088671.db2.gz	FVZSNAWFYZXNSC-GRYCIOLGSA-N	0	3	210.321	1.771	10	30		BDEEHN
CC[C@H](C)CN1CCCC[C@H]1C(N)=NO	ZINC000252465446	135090528	/nfs/dbraw/zinc/09/05/28/135090528.db2.gz	FOZNJJIBVRUHGM-UWVGGRQHSA-N	0	3	213.325	1.633	10	30		BDEEHN
C[C@H]1CN2CCC[C@H]2CN1C(=O)C1(C#N)CCC1	ZINC000252661847	135094815	/nfs/dbraw/zinc/09/48/15/135094815.db2.gz	QGUDIUAXXCJCOD-RYUDHWBXSA-N	0	3	247.342	1.375	10	30		BDEEHN
C=C(Cl)CN[C@@H]1CCC[C@@H]1[C@@H]1COCCN1	ZINC000262031762	135275146	/nfs/dbraw/zinc/27/51/46/135275146.db2.gz	XMNUQJDEZFDTGA-TUAOUCFPSA-N	0	3	244.766	1.486	10	30		BDEEHN
C[C@@H]1NC(=O)CC[C@H]1NCC#Cc1ccccc1	ZINC000282273997	135370708	/nfs/dbraw/zinc/37/07/08/135370708.db2.gz	HUCNJUVIDDMQRV-GXTWGEPZSA-N	0	3	242.322	1.295	10	30		BDEEHN
C=C1CN(c2cc(N)ncc2Br)C1	ZINC000575510173	397971812	/nfs/dbraw/zinc/97/18/12/397971812.db2.gz	XDPZILLXFTWSCO-UHFFFAOYSA-N	0	3	240.104	1.633	10	30		BDEEHN
Cn1cncc1CCN[C@H]1CCC[C@H]1C#N	ZINC000401851074	397984733	/nfs/dbraw/zinc/98/47/33/397984733.db2.gz	SQHUGXPVDCVQBT-JQWIXIFHSA-N	0	3	218.304	1.244	10	30		BDEEHN
C#CCCCCNCc1c(C)nn(C)c1OC	ZINC000150734573	166125575	/nfs/dbraw/zinc/12/55/75/166125575.db2.gz	LYPWXMPDEFBLMX-UHFFFAOYSA-N	0	3	235.331	1.630	10	30		BDEEHN
C=CCCC(C)(C)NC(=O)[C@@H]1CNCCOC1	ZINC000662952070	409986822	/nfs/dbraw/zinc/98/68/22/409986822.db2.gz	CGSROKWTMHYVRX-LLVKDONJSA-N	0	3	240.347	1.083	10	30		BDEEHN
C#CCOc1cc2c(cc1CNC)OCO2	ZINC000042874214	166197609	/nfs/dbraw/zinc/19/76/09/166197609.db2.gz	USBQSAJOGJQSKI-UHFFFAOYSA-N	0	3	219.240	1.147	10	30		BDEEHN
C#Cc1cccc(NC(=O)[C@@H](N)[C@@H](C)CC)c1	ZINC000019439184	166222534	/nfs/dbraw/zinc/22/25/34/166222534.db2.gz	UJROHDYWJBVBEC-GWCFXTLKSA-N	0	3	230.311	1.980	10	30		BDEEHN
C=CCN(Cc1cccc(OC)c1)C(=O)CN	ZINC000032089749	166345854	/nfs/dbraw/zinc/34/58/54/166345854.db2.gz	YPVHRASXDBPHHA-UHFFFAOYSA-N	0	3	234.299	1.169	10	30		BDEEHN
C=CCNCC(=O)N(C)Cc1ccccc1C	ZINC000095081766	166399347	/nfs/dbraw/zinc/39/93/47/166399347.db2.gz	XCNPWJYTVXDRER-UHFFFAOYSA-N	0	3	232.327	1.729	10	30		BDEEHN
CC(C)NCC(=O)N(C)Cc1ccc(C#N)cc1	ZINC000037808425	167094733	/nfs/dbraw/zinc/09/47/33/167094733.db2.gz	JELAGSMDCSWRLE-UHFFFAOYSA-N	0	3	245.326	1.515	10	30		BDEEHN
CC(C)NCC(=O)Nc1ccccc1C#N	ZINC000037385994	167097502	/nfs/dbraw/zinc/09/75/02/167097502.db2.gz	JZWBBMXJFYAXAG-UHFFFAOYSA-N	0	3	217.272	1.495	10	30		BDEEHN
CCNC(=O)N[C@H](C)c1cccc(C#CCN)c1	ZINC000049587452	170082572	/nfs/dbraw/zinc/08/25/72/170082572.db2.gz	DNTQQDBWICEYIB-LLVKDONJSA-N	0	3	245.326	1.377	10	30		BDEEHN
CCNCC(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000044648316	170109120	/nfs/dbraw/zinc/10/91/20/170109120.db2.gz	CUDHOJHBCSIJRZ-JTQLQIEISA-N	0	3	231.299	1.345	10	30		BDEEHN
CC[C@@H](C)NC(=O)c1ccccc1C#CCN	ZINC000037569859	170748583	/nfs/dbraw/zinc/74/85/83/170748583.db2.gz	IBHUGGSVICKJHB-LLVKDONJSA-N	0	3	230.311	1.525	10	30		BDEEHN
CC[C@H](C)N1CCN(C(C)(C)C#N)CC1	ZINC000070995816	171319018	/nfs/dbraw/zinc/31/90/18/171319018.db2.gz	IRNPPFJXBHNRMG-NSHDSACASA-N	0	3	209.337	1.705	10	30		BDEEHN
CN(C)C(C)(C)CN[C@@H]1CCCC[C@H]1C#N	ZINC000054827509	172395070	/nfs/dbraw/zinc/39/50/70/172395070.db2.gz	LZFIRZNYAYSOJU-NWDGAFQWSA-N	0	3	223.364	1.999	10	30		BDEEHN
CN1CCC[C@@H](Nc2ccnc(C#N)c2)C1	ZINC000061811897	173023535	/nfs/dbraw/zinc/02/35/35/173023535.db2.gz	WQTDTMRUBUNZEK-LLVKDONJSA-N	0	3	216.288	1.459	10	30		BDEEHN
CNC(C)(C)C(=O)Nc1ccc(C#N)cc1	ZINC000061300212	173318621	/nfs/dbraw/zinc/31/86/21/173318621.db2.gz	TVNHIBFCFUBHNG-UHFFFAOYSA-N	0	3	217.272	1.495	10	30		BDEEHN
COc1ccc2ccccc2c1C=NNC(=N)N	ZINC000007929811	175225904	/nfs/dbraw/zinc/22/59/04/175225904.db2.gz	GZCIZPIDCLIFSQ-LZYBPNLTSA-N	0	3	242.282	1.665	10	30		BDEEHN
C[C@@H]1CC(=O)N(Cc2ccccc2C#CCN)C1	ZINC000062817447	176048411	/nfs/dbraw/zinc/04/84/11/176048411.db2.gz	LXWWMSNXEGIZCM-GFCCVEGCSA-N	0	3	242.322	1.365	10	30		BDEEHN
C[C@@H]1CC[C@H](C(N)=O)CN1[C@@H]1CCCC[C@@H]1C#N	ZINC000042428739	176222210	/nfs/dbraw/zinc/22/22/10/176222210.db2.gz	ZIROMMKPKNJDQK-FVCCEPFGSA-N	0	3	249.358	1.655	10	30		BDEEHN
C[C@@H]1CN(C)CC[C@H]1N(C)c1cnc(C#N)cn1	ZINC000274706533	176269760	/nfs/dbraw/zinc/26/97/60/176269760.db2.gz	RVHAFXCKYNWNBQ-ZYHUDNBSSA-N	0	3	245.330	1.125	10	30		BDEEHN
C[C@@H]1CN(Cc2ccc(C#CCN)cc2)CCO1	ZINC000049608491	176303696	/nfs/dbraw/zinc/30/36/96/176303696.db2.gz	RNHWRCPATUTJLU-CYBMUJFWSA-N	0	3	244.338	1.218	10	30		BDEEHN
C[C@H](O)c1ccc2ccnc(NC(=N)N)c2c1	ZINC000026981449	177017583	/nfs/dbraw/zinc/01/75/83/177017583.db2.gz	ZLTLKUCDVPEMSE-ZETCQYMHSA-N	0	3	230.271	1.193	10	30		BDEEHN
C[C@H]1CCCC[C@@]1(C#N)NCCN(C)C	ZINC000037940681	177084101	/nfs/dbraw/zinc/08/41/01/177084101.db2.gz	GYWXDRQTJQPXJA-RYUDHWBXSA-N	0	3	209.337	1.610	10	30		BDEEHN
C[C@H]1CC[C@H](C(N)=O)CN1[C@@H]1CCCC[C@@H]1C#N	ZINC000042428740	177197800	/nfs/dbraw/zinc/19/78/00/177197800.db2.gz	ZIROMMKPKNJDQK-QNWHQSFQSA-N	0	3	249.358	1.655	10	30		BDEEHN
CNC(=O)[C@H](N[C@H]1CCC[C@H](C#N)C1)C(C)C	ZINC000185866803	536383982	/nfs/dbraw/zinc/38/39/82/536383982.db2.gz	TWOAIUHCMYMJQH-SDDRHHMPSA-N	0	3	237.347	1.429	10	30		BDEEHN
CCN(C)Cc1cc(C#CCO)cs1	ZINC000043698542	582806901	/nfs/dbraw/zinc/80/69/01/582806901.db2.gz	RJJPFTKYNQLESA-UHFFFAOYSA-N	0	3	209.314	1.544	10	30		BDEEHN
N#Cc1cccc(COC2CNC2)c1F	ZINC000222380044	592479338	/nfs/dbraw/zinc/47/93/38/592479338.db2.gz	OGFHSCDHUGHIDC-UHFFFAOYSA-N	0	3	206.220	1.186	10	30		BDEEHN
C#CCCNCc1ccccc1OCC#C	ZINC000069767523	631279136	/nfs/dbraw/zinc/27/91/36/631279136.db2.gz	MTLVCGGUCSMNHX-UHFFFAOYSA-N	0	3	213.280	1.812	10	30		BDEEHN
CC(C)(C#N)CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000164773765	640504820	/nfs/dbraw/zinc/50/48/20/640504820.db2.gz	ZONXZLMQGNHLLN-AXFHLTTASA-N	0	3	222.332	1.939	10	30		BDEEHN
CCCC[C@@H](N)C#CC(=O)OC(C)(C)C	ZINC000685954304	538899124	/nfs/dbraw/zinc/89/91/24/538899124.db2.gz	UYPPGLRDARSWFY-SNVBAGLBSA-N	0	3	211.305	1.849	10	30		BDEEHN
CCC(CC)NC(=O)c1cncc(C#CCN)c1	ZINC000049629253	168387335	/nfs/dbraw/zinc/38/73/35/168387335.db2.gz	RIORTLDNKOGDRD-UHFFFAOYSA-N	0	3	245.326	1.310	10	30		BDEEHN
C=C(C)C[C@H](N)[C@@H]1CCCCS1(=O)=O	ZINC000130860267	398285330	/nfs/dbraw/zinc/28/53/30/398285330.db2.gz	ZPVOGKMEOBHTMS-UWVGGRQHSA-N	0	3	217.334	1.247	10	30		BDEEHN
CC(C)NC(=NN)[C@@]1(C)CCCS1	ZINC000164945935	342860520	/nfs/dbraw/zinc/86/05/20/342860520.db2.gz	PIFAZBHUQJQTFZ-SECBINFHSA-N	0	3	201.339	1.542	10	30		BDEEHN
C=CC1CCN(C(=O)[C@]2(C)CCCCN2)CC1	ZINC000237482549	136272202	/nfs/dbraw/zinc/27/22/02/136272202.db2.gz	HVQZGXCKGBZXCJ-AWEZNQCLSA-N	0	3	236.359	1.943	10	30		BDEEHN
C=CCN1CCC[C@@H](Cn2nc(C)nc2C)C1	ZINC000105885310	136363749	/nfs/dbraw/zinc/36/37/49/136363749.db2.gz	CZACIBMKRCNUKC-CYBMUJFWSA-N	0	3	234.347	1.793	10	30		BDEEHN
CCN1CCC[C@@H]1CN(C)c1cc(C#N)ncn1	ZINC000310762281	343568141	/nfs/dbraw/zinc/56/81/41/343568141.db2.gz	KPGFAFYCABQLES-GFCCVEGCSA-N	0	3	245.330	1.269	10	30		BDEEHN
N#C[C@@H](c1cccc(F)c1)N1CC(N)C1	ZINC000409439341	343846886	/nfs/dbraw/zinc/84/68/86/343846886.db2.gz	GVZABGODBDNMNT-NSHDSACASA-N	0	3	205.236	1.033	10	30		BDEEHN
N/N=C(/NC1CCCC1)[C@@H]1CCSC1	ZINC000070005313	343945986	/nfs/dbraw/zinc/94/59/86/343945986.db2.gz	MMUIMDZOBIJQHC-MRVPVSSYSA-N	0	3	213.350	1.544	10	30		BDEEHN
N#Cc1cc(CN)cnc1OC(F)(F)F	ZINC000238569986	344584977	/nfs/dbraw/zinc/58/49/77/344584977.db2.gz	LDZUPJGOEWJVEY-UHFFFAOYSA-N	0	3	217.150	1.311	10	30		BDEEHN
C=CC[C@@H](N)C(=O)NCc1ccccc1	ZINC000127995976	344706589	/nfs/dbraw/zinc/70/65/89/344706589.db2.gz	FHZZLTZODAESLX-LLVKDONJSA-N	0	3	204.273	1.206	10	30		BDEEHN
C#CCOc1c(CNCCOC)cccc1OC	ZINC000045945868	192075855	/nfs/dbraw/zinc/07/58/55/192075855.db2.gz	ARCOUALZEWNAAK-UHFFFAOYSA-N	0	3	249.310	1.443	10	30		BDEEHN
CC#CCN1CCC[C@H](Cn2cncn2)C1	ZINC000119557432	344853549	/nfs/dbraw/zinc/85/35/49/344853549.db2.gz	BZRRWYXAJFORPP-LBPRGKRZSA-N	0	3	218.304	1.013	10	30		BDEEHN
CC#CCCN1CC[C@H](Oc2cccnc2)C1	ZINC000156494445	345168255	/nfs/dbraw/zinc/16/82/55/345168255.db2.gz	XQUNHTCZHWWKCR-AWEZNQCLSA-N	0	3	230.311	1.948	10	30		BDEEHN
N#Cc1cc(Br)ccc1CN	ZINC000216322713	345140615	/nfs/dbraw/zinc/14/06/15/345140615.db2.gz	IGFKIZDLWRQEOH-UHFFFAOYSA-N	0	3	211.062	1.779	10	30		BDEEHN
N#C[C@@H]1CCC[C@H]1NCCCn1ccnc1	ZINC000309544862	347097819	/nfs/dbraw/zinc/09/78/19/347097819.db2.gz	ZKHYABKUYPREBF-NWDGAFQWSA-N	0	3	218.304	1.555	10	30		BDEEHN
CNC(=NN)Nc1ccc(Br)cc1	ZINC000164625352	346613457	/nfs/dbraw/zinc/61/34/57/346613457.db2.gz	OXBWJFYJENNOSB-UHFFFAOYSA-N	0	3	243.108	1.310	10	30		BDEEHN
C#CCN[C@@H]1C[C@H](OCC)C12CCOCC2	ZINC000309968662	347206682	/nfs/dbraw/zinc/20/66/82/347206682.db2.gz	OLOSKECZEPHIQP-NEPJUHHUSA-N	0	3	223.316	1.183	10	30		BDEEHN
CC(C)C[C@@H](N)C(=O)N1CC[C@@](C)(C#N)C1	ZINC000595981404	348416668	/nfs/dbraw/zinc/41/66/68/348416668.db2.gz	OLZHXHRPZQHWRQ-PWSUYJOCSA-N	0	3	223.320	1.122	10	30		BDEEHN
CC(C)(O)CCN[C@H]1CCCC[C@@H]1C#N	ZINC000309019356	349305156	/nfs/dbraw/zinc/30/51/56/349305156.db2.gz	SUXKOPBFWCEWSN-MNOVXSKESA-N	0	3	210.321	1.819	10	30		BDEEHN
N#Cc1ccc([C@H]2COCCCN2)cc1	ZINC000616603535	350789954	/nfs/dbraw/zinc/78/99/54/350789954.db2.gz	PYMKIKLZNRVXEY-GFCCVEGCSA-N	0	3	202.257	1.609	10	30		BDEEHN
C=CC[C@H](CO)CNCc1cnn(C)c1C	ZINC000336684896	350928931	/nfs/dbraw/zinc/92/89/31/350928931.db2.gz	ICTBOESIVVPUMW-NSHDSACASA-N	0	3	223.320	1.003	10	30		BDEEHN
CN1CCN[C@H](c2ccc(C#N)cc2)C1	ZINC000616632584	351112507	/nfs/dbraw/zinc/11/25/07/351112507.db2.gz	MPQJNNDSIBHBTR-LBPRGKRZSA-N	0	3	201.273	1.134	10	30		BDEEHN
CC(C)N1CCNC[C@@H]1c1cccc(C#N)c1	ZINC000616638405	351139701	/nfs/dbraw/zinc/13/97/01/351139701.db2.gz	ZHWPVMFPIPYVFV-CQSZACIVSA-N	0	3	229.327	1.913	10	30		BDEEHN
CC(C)N1CCNC[C@H]1c1cccc(C#N)c1	ZINC000616638582	351140465	/nfs/dbraw/zinc/14/04/65/351140465.db2.gz	ZHWPVMFPIPYVFV-AWEZNQCLSA-N	0	3	229.327	1.913	10	30		BDEEHN
CCN(C[C@H](C)C#N)C[C@@H]1CCCN1C	ZINC000386652488	363024825	/nfs/dbraw/zinc/02/48/25/363024825.db2.gz	BWYACLFTDSXBRG-NEPJUHHUSA-N	0	3	209.337	1.562	10	30		BDEEHN
Cc1cc(Br)cc(NC(N)=NN)c1	ZINC000232060702	351613594	/nfs/dbraw/zinc/61/35/94/351613594.db2.gz	OFCMIUZPJLZJOA-UHFFFAOYSA-N	0	3	243.108	1.358	10	30		BDEEHN
N#CCN(Cc1ccccc1)C(=O)CNC1CC1	ZINC000038101686	188283440	/nfs/dbraw/zinc/28/34/40/188283440.db2.gz	YHKNLEDBEFASPH-UHFFFAOYSA-N	0	3	243.310	1.291	10	30		BDEEHN
C#CCN1CCC(NCc2ccco2)CC1	ZINC000037184266	188324622	/nfs/dbraw/zinc/32/46/22/188324622.db2.gz	FMPHTBHGHSAARV-UHFFFAOYSA-N	0	3	218.300	1.467	10	30		BDEEHN
CC(C)[C@H](C)NC(=O)c1ccccc1C#CCN	ZINC000037571780	188325976	/nfs/dbraw/zinc/32/59/76/188325976.db2.gz	SYFUTNYPSCSZGQ-LBPRGKRZSA-N	0	3	244.338	1.771	10	30		BDEEHN
N#C[C@@H]1CCCCC[C@H]1NCCn1ccnc1	ZINC000054826395	181058755	/nfs/dbraw/zinc/05/87/55/181058755.db2.gz	FKAKIDWNNNNBFB-QWHCGFSZSA-N	0	3	232.331	1.945	10	30		BDEEHN
N#C[C@@H]1CCCC[C@@H]1N[C@@H]1CN2CCC1CC2	ZINC000054824509	181059069	/nfs/dbraw/zinc/05/90/69/181059069.db2.gz	LTVHYWZBDSTGQR-MELADBBJSA-N	0	3	233.359	1.753	10	30		BDEEHN
N#C[C@H]1CCC[C@@H]1NCC1CCOCC1	ZINC000061892672	181069081	/nfs/dbraw/zinc/06/90/81/181069081.db2.gz	WLVKPYDSLCSZDB-NEPJUHHUSA-N	0	3	208.305	1.695	10	30		BDEEHN
N#Cc1ccc(CNC[C@H]2CCC[C@H]2O)c(F)c1	ZINC000089169318	181109333	/nfs/dbraw/zinc/10/93/33/181109333.db2.gz	CJBZVJJDXXIBCL-TZMCWYRMSA-N	0	3	248.301	1.948	10	30		BDEEHN
N#Cc1ccc(CN2CCN3CCCC[C@H]3C2)o1	ZINC000245562715	181103777	/nfs/dbraw/zinc/10/37/77/181103777.db2.gz	PEJCGLQHYZSCJD-LBPRGKRZSA-N	0	3	245.326	1.821	10	30		BDEEHN
N#Cc1ccc(F)c(CNC[C@H]2CCCO2)c1	ZINC000020055579	181113022	/nfs/dbraw/zinc/11/30/22/181113022.db2.gz	GERNNEVQPAMZDM-GFCCVEGCSA-N	0	3	234.274	1.966	10	30		BDEEHN
N#Cc1ccc(NC(=O)CNC2CC2)cc1Cl	ZINC000037386617	181118518	/nfs/dbraw/zinc/11/85/18/181118518.db2.gz	YIGMEJXEZNXKTG-UHFFFAOYSA-N	0	3	249.701	1.902	10	30		BDEEHN
N#Cc1cccc(C2=NO[C@H](CN)C2)c1	ZINC000082644276	181136708	/nfs/dbraw/zinc/13/67/08/181136708.db2.gz	GFSYQADYMXLSCE-JTQLQIEISA-N	0	3	201.229	1.010	10	30		BDEEHN
[NH2+]=C(C[S-])NC1Cc2ccccc2C1	ZINC000147262399	181184634	/nfs/dbraw/zinc/18/46/34/181184634.db2.gz	YOGPBFFJZUYBSU-UHFFFAOYSA-N	0	3	206.314	1.441	10	30		BDEEHN
N/C(CCN1CCc2ccccc2C1)=N\O	ZINC000019428349	181182726	/nfs/dbraw/zinc/18/27/26/181182726.db2.gz	BRVQIIDWLNTFNS-UHFFFAOYSA-N	0	3	219.288	1.181	10	30		BDEEHN
O=C1C=C(N2CCN3CCC[C@@H]3C2)CC1	ZINC000160256941	355762610	/nfs/dbraw/zinc/76/26/10/355762610.db2.gz	JKFWHTCCCNCAFZ-LLVKDONJSA-N	0	3	206.289	1.013	10	30		BDEEHN
CCN(Cc1nn(C)cc1CC#N)CC(C)C	ZINC000675056686	538479173	/nfs/dbraw/zinc/47/91/73/538479173.db2.gz	VEDYQDVRRZIBKT-UHFFFAOYSA-N	0	3	234.347	1.964	10	30		BDEEHN
[NH3+]CC/N=C/c1cc(Br)ccc1[O-]	ZINC000584624193	358291819	/nfs/dbraw/zinc/29/18/19/358291819.db2.gz	GJLNAAATKYEZJV-WUXMJOGZSA-N	0	3	243.104	1.532	10	30		BDEEHN
C=C(Cl)CN1CCN(C)CC[C@H]1C	ZINC000306478493	360126174	/nfs/dbraw/zinc/12/61/74/360126174.db2.gz	HLACPUDXUXCDIB-SNVBAGLBSA-N	0	3	202.729	1.765	10	30		BDEEHN
CCN1CCC[C@H]1CN(C)C(=O)[C@@H](C)C#N	ZINC000092630831	360185895	/nfs/dbraw/zinc/18/58/95/360185895.db2.gz	VFGYXVZVGGHJMC-QWRGUYRKSA-N	0	3	223.320	1.089	10	30		BDEEHN
N#Cc1ccc([C@H]2CSCCN2)cc1	ZINC000070588019	361575403	/nfs/dbraw/zinc/57/54/03/361575403.db2.gz	RLORCFWBMCPHNK-LLVKDONJSA-N	0	3	204.298	1.936	10	30		BDEEHN
NCC#Cc1ccc(Cn2ccc(=O)cc2)s1	ZINC000061628376	181345736	/nfs/dbraw/zinc/34/57/36/181345736.db2.gz	QBRZIOUAENEYFG-UHFFFAOYSA-N	0	3	244.319	1.268	10	30		BDEEHN
NCC#Cc1cccc(Cn2ccc(=O)cc2)c1	ZINC000061628384	181346857	/nfs/dbraw/zinc/34/68/57/181346857.db2.gz	XHIACBRQMSRJTD-UHFFFAOYSA-N	0	3	238.290	1.207	10	30		BDEEHN
NCC#Cc1ccccc1Cn1cc(Cl)cn1	ZINC000049610220	181347413	/nfs/dbraw/zinc/34/74/13/181347413.db2.gz	PXEAKNMYBPMBCZ-UHFFFAOYSA-N	0	3	245.713	1.895	10	30		BDEEHN
NCC#Cc1ccccc1OCc1cccnc1	ZINC000037547911	181347686	/nfs/dbraw/zinc/34/76/86/181347686.db2.gz	NIXPIJHINYVGQM-UHFFFAOYSA-N	0	3	238.290	1.971	10	30		BDEEHN
N=C(N)NN=Cc1cc(Cl)cs1	ZINC000252614995	364069967	/nfs/dbraw/zinc/06/99/67/364069967.db2.gz	YQAQZFDNPFKXBF-UHFFFAOYSA-N	0	3	202.670	1.218	10	30		BDEEHN
C=C(Br)CNCCCOC	ZINC000037681222	364517390	/nfs/dbraw/zinc/51/73/90/364517390.db2.gz	HDJCCRBBWYQMES-UHFFFAOYSA-N	0	3	208.099	1.521	10	30		BDEEHN
Cc1c(NC2=NCCN2)cccc1[N+](=O)[O-]	ZINC000142775714	541391472	/nfs/dbraw/zinc/39/14/72/541391472.db2.gz	QBDYTBDWXYWSIP-UHFFFAOYSA-N	0	3	220.232	1.084	10	30		BDEEHN
C#C[C@H](NCC)[C@@H]1SCCS[C@H]1C	ZINC000252722918	367894474	/nfs/dbraw/zinc/89/44/74/367894474.db2.gz	SBVQWBUELQYHOE-LPEHRKFASA-N	0	3	215.387	1.835	10	30		BDEEHN
CCCN1CCCN(c2nccnc2C#N)CC1	ZINC000074258575	368834985	/nfs/dbraw/zinc/83/49/85/368834985.db2.gz	WCUAMQZDXSOBCJ-UHFFFAOYSA-N	0	3	245.330	1.270	10	30		BDEEHN
C#C[C@@]1(O)CCCN(Cc2ccccc2)C1	ZINC000131758414	371667693	/nfs/dbraw/zinc/66/76/93/371667693.db2.gz	CQDWRUQHIAXHNZ-CQSZACIVSA-N	0	3	215.296	1.647	10	30		BDEEHN
CNC(=N)Nc1c(F)cc(F)cc1Cl	ZINC000215835653	371642021	/nfs/dbraw/zinc/64/20/21/371642021.db2.gz	XTUFABMTUWMVHW-UHFFFAOYSA-N	0	3	219.622	1.975	10	30		BDEEHN
N#C[C@H]1CCCC[C@H]1NCC1(O)CCOCC1	ZINC000162332728	371660569	/nfs/dbraw/zinc/66/05/69/371660569.db2.gz	MDRJGXKPWOGKGB-VXGBXAGGSA-N	0	3	238.331	1.200	10	30		BDEEHN
CCCN[C@@H](C#N)CCN(C)C1CCOCC1	ZINC000062435193	169273039	/nfs/dbraw/zinc/27/30/39/169273039.db2.gz	OXQLYHIUDSLVJS-GFCCVEGCSA-N	0	3	239.363	1.379	10	30		BDEEHN
C=CC[C@@H](C)NCc1c(C)nn(C)c1OC	ZINC000116927209	383946312	/nfs/dbraw/zinc/94/63/12/383946312.db2.gz	DQWAWGVXPIMOFY-SECBINFHSA-N	0	3	223.320	1.791	10	30		BDEEHN
Cc1ccnc(N2CCN3CCC[C@@H]3C2)c1C#N	ZINC000135085444	384004169	/nfs/dbraw/zinc/00/41/69/384004169.db2.gz	BWSDRTBTLRNDNL-GFCCVEGCSA-N	0	3	242.326	1.546	10	30		BDEEHN
C#CCCN1C[C@@H]2CCCCN2C[C@@H]1CC	ZINC000227362364	533056643	/nfs/dbraw/zinc/05/66/43/533056643.db2.gz	AYNLTJCMJQEIQT-KBPBESRZSA-N	0	3	220.360	1.958	10	30		BDEEHN
CN(C)[C@@H]1CCN(C(=O)c2cccc(C#N)c2)C1	ZINC000071139985	384654838	/nfs/dbraw/zinc/65/48/38/384654838.db2.gz	JDSAMHWGUOHPRR-CYBMUJFWSA-N	0	3	243.310	1.334	10	30		BDEEHN
CC#CCCN1CCC[C@H]1c1cnn(C)c1	ZINC000155401777	384719516	/nfs/dbraw/zinc/71/95/16/384719516.db2.gz	RENJTLZEVIQSJJ-ZDUSSCGKSA-N	0	3	217.316	1.970	10	30		BDEEHN
C[C@@H](NCc1ccc(C#N)o1)[C@@H]1CCCO1	ZINC000135481885	384828642	/nfs/dbraw/zinc/82/86/42/384828642.db2.gz	QONPKIKPSFEDGF-SKDRFNHKSA-N	0	3	220.272	1.808	10	30		BDEEHN
N#CC[C@@]1(N)CCN(Cc2ccccc2)C1	ZINC000259553318	384977299	/nfs/dbraw/zinc/97/72/99/384977299.db2.gz	HMBFKALZELGHLI-CYBMUJFWSA-N	0	3	215.300	1.503	10	30		BDEEHN
C=C(Cl)CN1CCN2CCCC[C@H]2C1	ZINC000246486511	385168812	/nfs/dbraw/zinc/16/88/12/385168812.db2.gz	GVIKWTVSPGPTOJ-NSHDSACASA-N	0	3	214.740	1.909	10	30		BDEEHN
C#CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000575451290	386800057	/nfs/dbraw/zinc/80/00/57/386800057.db2.gz	SFUPMQBSFDUPMB-JSGCOSHPSA-N	0	3	242.322	1.399	10	30		BDEEHN
C[C@@H]1CNCCN1c1ccc(C#N)c(F)c1	ZINC000211935225	387010268	/nfs/dbraw/zinc/01/02/68/387010268.db2.gz	BSFWIZOVFXOYTG-SECBINFHSA-N	0	3	219.263	1.495	10	30		BDEEHN
CC[C@H](N)C#Cc1ccc(Br)cn1	ZINC000575508710	387392258	/nfs/dbraw/zinc/39/22/58/387392258.db2.gz	SAQUHGXQQCUTFL-VIFPVBQESA-N	0	3	239.116	1.933	10	30		BDEEHN
N#Cc1ccc(CNCC2CC(O)C2)c(F)c1	ZINC000091526011	388633727	/nfs/dbraw/zinc/63/37/27/388633727.db2.gz	NZBDCHMEUCLXHP-UHFFFAOYSA-N	0	3	234.274	1.558	10	30		BDEEHN
C=C(C)CS(=O)(=O)NC[C@H](C)N(CC)CC	ZINC000184376594	533525363	/nfs/dbraw/zinc/52/53/63/533525363.db2.gz	BJRVJAWAHJACFC-NSHDSACASA-N	0	3	248.392	1.212	10	30		BDEEHN
CC#CCOc1ccc(N2CCNCC2)cc1	ZINC000051662767	132229175	/nfs/dbraw/zinc/22/91/75/132229175.db2.gz	RSGOAKKZKFMZFC-UHFFFAOYSA-N	0	3	230.311	1.498	10	30		BDEEHN
CN(C)/N=C/c1ccc(N2CCOCC2)cc1	ZINC000003225588	132315402	/nfs/dbraw/zinc/31/54/02/132315402.db2.gz	CATHMCNWQJTHEW-SDNWHVSQSA-N	0	3	233.315	1.419	10	30		BDEEHN
C=C(C)CN[C@H]1CCCC[C@H]1S(C)(=O)=O	ZINC000130814758	134623721	/nfs/dbraw/zinc/62/37/21/134623721.db2.gz	ULIMVYMMDBUFLY-WDEREUQCSA-N	0	3	231.361	1.508	10	30		BDEEHN
N#Cc1cccnc1N1CCN2CCC[C@H]2C1	ZINC000248895784	135026049	/nfs/dbraw/zinc/02/60/49/135026049.db2.gz	JEUXRMUSEZIGPR-LBPRGKRZSA-N	0	3	228.299	1.238	10	30		BDEEHN
N#C[C@@H]1CCC[C@H]1N[C@H]1CCCOCC1	ZINC000250636300	135057364	/nfs/dbraw/zinc/05/73/64/135057364.db2.gz	FTUACUODWKSADA-SDDRHHMPSA-N	0	3	208.305	1.837	10	30		BDEEHN
C=CCOCCCNC(=O)[C@H](N)[C@@H](C)CC	ZINC000662665062	409823965	/nfs/dbraw/zinc/82/39/65/409823965.db2.gz	ZTDFFZZYGARQEK-WDEREUQCSA-N	0	3	228.336	1.069	10	30		BDEEHN
C#CCNC(=O)[C@@H](C)Oc1ccccc1[C@H](C)N	ZINC000037697775	166182725	/nfs/dbraw/zinc/18/27/25/166182725.db2.gz	GPDAIYPNEUUSTF-WDEREUQCSA-N	0	3	246.310	1.223	10	30		BDEEHN
C#CCNC[C@@H](C)N1CCOc2ccccc2C1	ZINC000063013835	166187813	/nfs/dbraw/zinc/18/78/13/166187813.db2.gz	KLLFAEIGJOIXGK-CYBMUJFWSA-N	0	3	244.338	1.492	10	30		BDEEHN
C#CCNC[C@H](C)n1cc(Br)cn1	ZINC000053538355	166188919	/nfs/dbraw/zinc/18/89/19/166188919.db2.gz	JLWRYDCQTGHSQL-QMMMGPOBSA-N	0	3	242.120	1.429	10	30		BDEEHN
C#CCNC[C@H](C)N1Cc2ccccc2C1	ZINC000053493189	166188941	/nfs/dbraw/zinc/18/89/41/166188941.db2.gz	CXEGFESJUYISHB-LBPRGKRZSA-N	0	3	214.312	1.614	10	30		BDEEHN
C#CCOc1ccc(CNC[C@H](C)O)cc1OC	ZINC000045946079	166198712	/nfs/dbraw/zinc/19/87/12/166198712.db2.gz	AJMGVMBGDJKJJX-NSHDSACASA-N	0	3	249.310	1.178	10	30		BDEEHN
C#Cc1cccc(NC(=O)[C@@H](C)NC)c1	ZINC000054071792	166222164	/nfs/dbraw/zinc/22/21/64/166222164.db2.gz	DRQAXFIBXNFGMB-SECBINFHSA-N	0	3	202.257	1.214	10	30		BDEEHN
CC(C)NC1(C#N)C[C@H]2CC[C@@H](C1)N2C	ZINC000036924618	167092603	/nfs/dbraw/zinc/09/26/03/167092603.db2.gz	PQBUCLBBVAUWBC-FOSCPWQOSA-N	0	3	207.321	1.503	10	30		BDEEHN
CCN(CC)Cc1ccc(/C(N)=N/O)cc1F	ZINC000019472501	169791099	/nfs/dbraw/zinc/79/10/99/169791099.db2.gz	JRFVOFBLHZZSPF-UHFFFAOYSA-N	0	3	239.294	1.762	10	30		BDEEHN
CCNC(=O)Nc1cccc(C#CCN)c1	ZINC000037471297	170084827	/nfs/dbraw/zinc/08/48/27/170084827.db2.gz	YPUYHZHSENZCSN-UHFFFAOYSA-N	0	3	217.272	1.138	10	30		BDEEHN
CC[C@@H](C)CNC(=O)c1cncc(C#CCN)c1	ZINC000054491047	170706418	/nfs/dbraw/zinc/70/64/18/170706418.db2.gz	QMMQELUWZNBPIW-LLVKDONJSA-N	0	3	245.326	1.168	10	30		BDEEHN
CC[C@@H](C)[C@H](N)C(=O)N(C)c1cccc(C#N)c1	ZINC000061980788	170793876	/nfs/dbraw/zinc/79/38/76/170793876.db2.gz	QTXUCEOYDURSEP-MFKMUULPSA-N	0	3	245.326	1.894	10	30		BDEEHN
CN(C(=O)C(C)(C)N)c1cccc(C#N)c1	ZINC000061980763	172294636	/nfs/dbraw/zinc/29/46/36/172294636.db2.gz	VECOJICJRXWURP-UHFFFAOYSA-N	0	3	217.272	1.258	10	30		BDEEHN
CN(C)CCN(C)c1ccccc1C#N	ZINC000104346746	172454378	/nfs/dbraw/zinc/45/43/78/172454378.db2.gz	MPWAYDVSJIFPHB-UHFFFAOYSA-N	0	3	203.289	1.556	10	30		BDEEHN
CN1CC[C@@H](Nc2ccccc2C#N)C1	ZINC000042375207	173125283	/nfs/dbraw/zinc/12/52/83/173125283.db2.gz	AXVYEFBSFCKSLP-LLVKDONJSA-N	0	3	201.273	1.674	10	30		BDEEHN
COCCOCc1ccc(C#CCN)cc1F	ZINC000049610716	174364240	/nfs/dbraw/zinc/36/42/40/174364240.db2.gz	GGUYFEIOPYBERC-UHFFFAOYSA-N	0	3	237.274	1.299	10	30		BDEEHN
C[C@@H](CN(C)CCc1ccccc1)/C(N)=N/O	ZINC000042458021	175701730	/nfs/dbraw/zinc/70/17/30/175701730.db2.gz	HBDIDGZHNPPGQE-NSHDSACASA-N	0	3	235.331	1.543	10	30		BDEEHN
C[C@H]1C[C@H]1NC(=O)c1ccc(C#CCN)s1	ZINC000052299646	177384920	/nfs/dbraw/zinc/38/49/20/177384920.db2.gz	BCYDVSLBXBHITL-WCBMZHEXSA-N	0	3	234.324	1.197	10	30		BDEEHN
C[C@H]1NC(=O)CC[C@H]1NCc1ccc(C#N)cc1	ZINC000281513901	177394156	/nfs/dbraw/zinc/39/41/56/177394156.db2.gz	AGFWVXXVURVFDB-ZWNOBZJWSA-N	0	3	243.310	1.315	10	30		BDEEHN
CCC#C[C@H](C)N[C@H]1CCC(=O)NC1(C)C	ZINC000390615801	488169595	/nfs/dbraw/zinc/16/95/95/488169595.db2.gz	GVAIMHPOTIWBTI-QWRGUYRKSA-N	0	3	222.332	1.435	10	30		BDEEHN
CNCc1sc([C@@H](O)CC#N)nc1C	ZINC000757132370	582506955	/nfs/dbraw/zinc/50/69/55/582506955.db2.gz	SVXOAOLKUYDIGK-ZETCQYMHSA-N	0	3	211.290	1.118	10	30		BDEEHN
CNC(=O)[C@H](N[C@H]1CCC[C@@H](C#N)C1)C(C)C	ZINC000248896119	536384210	/nfs/dbraw/zinc/38/42/10/536384210.db2.gz	TWOAIUHCMYMJQH-GRYCIOLGSA-N	0	3	237.347	1.429	10	30		BDEEHN
N#C[C@H]1CCCC[C@H]1NC1CCS(=O)CC1	ZINC000229193612	711759588	/nfs/dbraw/zinc/75/95/88/711759588.db2.gz	HVANLRAOYVGZMC-QZCIIZHISA-N	0	3	240.372	1.569	10	30		BDEEHN
CSC[C@H](N)C#CC(=O)OC(C)(C)C	ZINC000685953443	538898213	/nfs/dbraw/zinc/89/82/13/538898213.db2.gz	MMDNQLNNSMUERN-MRVPVSSYSA-N	0	3	215.318	1.022	10	30		BDEEHN
C=CC(=O)[C@@H](N)[C@@H](C)OCc1ccccc1	ZINC000685961624	538908696	/nfs/dbraw/zinc/90/86/96/538908696.db2.gz	MGDYSIMJFMKNCM-MFKMUULPSA-N	0	3	219.284	1.674	10	30		BDEEHN
C=CCCOCCNC(=O)[C@@H](N)[C@H](C)CC	ZINC000182816356	136228586	/nfs/dbraw/zinc/22/85/86/136228586.db2.gz	NIKYEASSRVVTCE-MNOVXSKESA-N	0	3	228.336	1.069	10	30		BDEEHN
Cc1cc(CN[C@@H]2C[C@H]2CO)ccc1C#N	ZINC000309626748	342760978	/nfs/dbraw/zinc/76/09/78/342760978.db2.gz	GBJXRPIQJOAYNC-QWHCGFSZSA-N	0	3	216.284	1.337	10	30		BDEEHN
CN/C(=N/N)c1ccc(Br)cc1C	ZINC000042035407	361927713	/nfs/dbraw/zinc/92/77/13/361927713.db2.gz	UJOAMVMYJIMFKY-UHFFFAOYSA-N	0	3	242.120	1.597	10	30		BDEEHN
CCOC(=O)c1[nH]cc(C)c1/N=C/N(C)C	ZINC000114907130	343120647	/nfs/dbraw/zinc/12/06/47/343120647.db2.gz	SCRVTBKZMZRQKO-NTUHNPAUSA-N	0	3	223.276	1.721	10	30		BDEEHN
CN(C)C(=O)CCCN[C@H]1CCC[C@@H]1C#N	ZINC000309977156	343124571	/nfs/dbraw/zinc/12/45/71/343124571.db2.gz	UELALRWPSKLAOY-MNOVXSKESA-N	0	3	223.320	1.137	10	30		BDEEHN
CC(C#N)S(=O)(=O)c1ccc(F)cc1	ZINC000043522907	343124809	/nfs/dbraw/zinc/12/48/09/343124809.db2.gz	ZJBXCANGFSJSTM-ZETCQYMHSA-N	0	3	213.233	1.511	10	30		BDEEHN
CCCCOc1ccc(C=NNC(=N)N)cc1	ZINC000036511896	343319998	/nfs/dbraw/zinc/31/99/98/343319998.db2.gz	GTSCWDQIZUNUMA-DHDCSXOGSA-N	0	3	234.303	1.682	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1NC[C@@H]1CCCOC1	ZINC000054825912	136373197	/nfs/dbraw/zinc/37/31/97/136373197.db2.gz	ZFUWFLPBBJHIMI-SRVKXCTJSA-N	0	3	208.305	1.695	10	30		BDEEHN
C=C(C)CN[C@@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000130814091	344224482	/nfs/dbraw/zinc/22/44/82/344224482.db2.gz	ULIMVYMMDBUFLY-MNOVXSKESA-N	0	3	231.361	1.508	10	30		BDEEHN
CCNCC(=O)Nc1sccc1C#N	ZINC000044286890	345008729	/nfs/dbraw/zinc/00/87/29/345008729.db2.gz	RUYKZULHRHSEAY-UHFFFAOYSA-N	0	3	209.274	1.168	10	30		BDEEHN
NCC#Cc1cccc(Br)c1	ZINC000238597726	345087369	/nfs/dbraw/zinc/08/73/69/345087369.db2.gz	JYRYZHLPCCTOKU-UHFFFAOYSA-N	0	3	210.074	1.759	10	30		BDEEHN
CCN(Cc1ccccc1)C[C@H](C)/C(N)=N/O	ZINC000036678383	347435921	/nfs/dbraw/zinc/43/59/21/347435921.db2.gz	FGQKXQCPPCFTHD-NSHDSACASA-N	0	3	235.331	1.891	10	30		BDEEHN
C[C@]1(C#N)CCN(C[C@@H]2CCC[C@H](O)C2)C1	ZINC000595841387	348376436	/nfs/dbraw/zinc/37/64/36/348376436.db2.gz	LKRPZRGFEKCAPI-FRRDWIJNSA-N	0	3	222.332	1.773	10	30		BDEEHN
CN1CCC[C@H]1CN1CC[C@@](C)(C#N)C1	ZINC000595842935	348380394	/nfs/dbraw/zinc/38/03/94/348380394.db2.gz	WNEIRTGRSLLCKX-RYUDHWBXSA-N	0	3	207.321	1.316	10	30		BDEEHN
C[C@@]1(C#N)CCN(C(=O)[C@]2(C)CCCCN2)C1	ZINC000595979683	348414527	/nfs/dbraw/zinc/41/45/27/348414527.db2.gz	CIKSVFYIDVVWPF-STQMWFEESA-N	0	3	235.331	1.281	10	30		BDEEHN
CC(=O)N1CCC(N[C@H]2CCCC[C@H]2C#N)CC1	ZINC000597198792	348674525	/nfs/dbraw/zinc/67/45/25/348674525.db2.gz	PUTLPCJYMUQOTO-JSGCOSHPSA-N	0	3	249.358	1.669	10	30		BDEEHN
C=CCN1CCC[C@H](c2nncn2CC)C1	ZINC000161274877	349413360	/nfs/dbraw/zinc/41/33/60/349413360.db2.gz	ASBROHXJNHGFRP-NSHDSACASA-N	0	3	220.320	1.663	10	30		BDEEHN
CCn1cnnc1[C@H]1CCCN(CCCC#N)C1	ZINC000161296648	349418165	/nfs/dbraw/zinc/41/81/65/349418165.db2.gz	SPJBHERKRQVXLH-LBPRGKRZSA-N	0	3	247.346	1.781	10	30		BDEEHN
Cc1nn(C)c(NC2CCN(C)CC2)c1C#N	ZINC000111615480	180357720	/nfs/dbraw/zinc/35/77/20/180357720.db2.gz	ZKJNPLXDQGETMT-UHFFFAOYSA-N	0	3	233.319	1.106	10	30		BDEEHN
C=CC[C@@H](CO)CNCc1cnn(C)c1C	ZINC000336684895	350928978	/nfs/dbraw/zinc/92/89/78/350928978.db2.gz	ICTBOESIVVPUMW-LLVKDONJSA-N	0	3	223.320	1.003	10	30		BDEEHN
CNC(=O)CCCN[C@H]1CCCC[C@H]1C#N	ZINC000398385300	351128167	/nfs/dbraw/zinc/12/81/67/351128167.db2.gz	VWQBUCRLTKNGRS-QWRGUYRKSA-N	0	3	223.320	1.185	10	30		BDEEHN
O=CC[C@]1(O)CCN(Cc2ccccc2)C1	ZINC000307058206	351455127	/nfs/dbraw/zinc/45/51/27/351455127.db2.gz	LXZVPLQGBHHYHS-CYBMUJFWSA-N	0	3	219.284	1.212	10	30		BDEEHN
C=CC(C)(C)CCNC(=O)C1(N)CCOCC1	ZINC000638455315	352265504	/nfs/dbraw/zinc/26/55/04/352265504.db2.gz	UNIGUDVYNDNWAQ-UHFFFAOYSA-N	0	3	240.347	1.213	10	30		BDEEHN
CC(=O)Nc1ccc(C#CCN)cc1F	ZINC000037471194	188280969	/nfs/dbraw/zinc/28/09/69/188280969.db2.gz	YNIFAZZMUISCIK-UHFFFAOYSA-N	0	3	206.220	1.094	10	30		BDEEHN
CN(C)CCOc1ccc(C#N)c(C#N)c1	ZINC000039343559	188283768	/nfs/dbraw/zinc/28/37/68/188283768.db2.gz	HPODFACZIGFMJV-UHFFFAOYSA-N	0	3	215.256	1.370	10	30		BDEEHN
N#CCCCNC(=O)C[C@H](N)c1ccccc1	ZINC000054138661	188300865	/nfs/dbraw/zinc/30/08/65/188300865.db2.gz	DGMURTAGEPTLHZ-LBPRGKRZSA-N	0	3	231.299	1.496	10	30		BDEEHN
C#CC[C@H](N)c1ccc(Br)cn1	ZINC000163571401	353354475	/nfs/dbraw/zinc/35/44/75/353354475.db2.gz	LUVRAKGCCGFOFO-QMMMGPOBSA-N	0	3	225.089	1.867	10	30		BDEEHN
C[C@H]1C[C@@H]1C(=O)Nc1ncc(C#CCN)s1	ZINC000037471174	188325363	/nfs/dbraw/zinc/32/53/63/188325363.db2.gz	IGUDQPRHTPKZTD-CBAPKCEASA-N	0	3	235.312	1.048	10	30		BDEEHN
CC(C)N(C)C(=O)c1ccc(F)cc1C#CCN	ZINC000037570000	188325824	/nfs/dbraw/zinc/32/58/24/188325824.db2.gz	IVGXFNRIMDRHHE-UHFFFAOYSA-N	0	3	248.301	1.616	10	30		BDEEHN
C#CCNCc1ccc(OCC)c(OC)c1	ZINC000020084681	188384650	/nfs/dbraw/zinc/38/46/50/188384650.db2.gz	OWMXXDCXVNOJIR-UHFFFAOYSA-N	0	3	219.284	1.817	10	30		BDEEHN
CC[C@@](C)(C#N)C(=O)N1CC[C@@H](N(C)C)C1	ZINC000136246911	353614005	/nfs/dbraw/zinc/61/40/05/353614005.db2.gz	BWGKNNVMDAQRKT-PWSUYJOCSA-N	0	3	223.320	1.089	10	30		BDEEHN
N#CCN1CCc2ccccc2[C@H]1CN	ZINC000082638987	181042059	/nfs/dbraw/zinc/04/20/59/181042059.db2.gz	RLAXJQCESFKMLB-GFCCVEGCSA-N	0	3	201.273	1.068	10	30		BDEEHN
N#Cc1ccc(CNC[C@@H]2CCC[C@@H]2O)s1	ZINC000135502186	181108757	/nfs/dbraw/zinc/10/87/57/181108757.db2.gz	UMROWLYEZZTIRF-CABZTGNLSA-N	0	3	236.340	1.870	10	30		BDEEHN
N#Cc1ccc(CNC[C@@H]2CCC[C@@H]2O)o1	ZINC000135487903	181108842	/nfs/dbraw/zinc/10/88/42/181108842.db2.gz	GTQGTZOPDBWSHI-CABZTGNLSA-N	0	3	220.272	1.402	10	30		BDEEHN
N#Cc1ccc(NC(=O)CNC2CC2)cc1	ZINC000037386718	181118093	/nfs/dbraw/zinc/11/80/93/181118093.db2.gz	JNGZACGSPSHDAL-UHFFFAOYSA-N	0	3	215.256	1.249	10	30		BDEEHN
N#Cc1ncccc1CNCCN1CCCC1	ZINC000061658933	181170711	/nfs/dbraw/zinc/17/07/11/181170711.db2.gz	JMDFZKMTKSORBQ-UHFFFAOYSA-N	0	3	230.315	1.139	10	30		BDEEHN
N/C(CCN(CCc1ccccn1)C1CC1)=N/O	ZINC000042546217	181182393	/nfs/dbraw/zinc/18/23/93/181182393.db2.gz	GNODIKJNEHSPMK-UHFFFAOYSA-N	0	3	248.330	1.225	10	30		BDEEHN
CCC[C@H](C(=O)N1CCC(C#N)CC1)N(C)C	ZINC000126537005	324702872	/nfs/dbraw/zinc/70/28/72/324702872.db2.gz	IPJBGGCRMJSMBH-GFCCVEGCSA-N	0	3	237.347	1.479	10	30		BDEEHN
C#C[C@H](N)[C@@H]1CS[C@H](C)[C@@H](C)S1	ZINC000300024302	357172593	/nfs/dbraw/zinc/17/25/93/357172593.db2.gz	FOZYIXUFUYLTEX-HXFLIBJXSA-N	0	3	201.360	1.573	10	30		BDEEHN
C#C[C@]1(N)CCN(Cc2ccccc2)C1	ZINC000685948147	538890039	/nfs/dbraw/zinc/89/00/39/538890039.db2.gz	YUBYUTBBLMOSMH-ZDUSSCGKSA-N	0	3	200.285	1.223	10	30		BDEEHN
C=CCN(CCOC)C[C@H](O)COC(C)(C)C	ZINC000191084231	357748563	/nfs/dbraw/zinc/74/85/63/357748563.db2.gz	ZDPFNVZJMFXSSP-LBPRGKRZSA-N	0	3	245.363	1.297	10	30		BDEEHN
CN(C)CC[C@]1(C#N)Cc2ccccc21	ZINC000584599906	358256551	/nfs/dbraw/zinc/25/65/51/358256551.db2.gz	YFQKKCABYBVECZ-CYBMUJFWSA-N	0	3	200.285	1.956	10	30		BDEEHN
N#CCCCN1CCCN(C2CC2)CC1	ZINC000061041030	358931163	/nfs/dbraw/zinc/93/11/63/358931163.db2.gz	ROJJQVRNVLYAOF-UHFFFAOYSA-N	0	3	207.321	1.460	10	30		BDEEHN
CSC1(C#N)CCN([C@@H](C)CO)CC1	ZINC000306314369	359594322	/nfs/dbraw/zinc/59/43/22/359594322.db2.gz	PPLGAQDLEBWASF-VIFPVBQESA-N	0	3	214.334	1.088	10	30		BDEEHN
CSC1(C#N)CCN([C@H](C)CO)CC1	ZINC000306314367	359594067	/nfs/dbraw/zinc/59/40/67/359594067.db2.gz	PPLGAQDLEBWASF-SECBINFHSA-N	0	3	214.334	1.088	10	30		BDEEHN
C=C([C@@H](N)c1cncnc1)C(F)(F)F	ZINC000306331623	359633422	/nfs/dbraw/zinc/63/34/22/359633422.db2.gz	GHTDFFLWCVQGLG-SSDOTTSWSA-N	0	3	203.167	1.595	10	30		BDEEHN
C=C(C)CN[C@@H](CO)c1cccc(OC)c1	ZINC000309935989	491158526	/nfs/dbraw/zinc/15/85/26/491158526.db2.gz	ZULYZVDVRHSTFG-ZDUSSCGKSA-N	0	3	221.300	1.894	10	30		BDEEHN
NCC#Cc1ccc(COC[C@H]2CCCO2)cc1	ZINC000049610788	181346085	/nfs/dbraw/zinc/34/60/85/181346085.db2.gz	LUAFHUIMEXUQSO-OAHLLOKOSA-N	0	3	245.322	1.692	10	30		BDEEHN
NCC#Cc1ccc(Cl)c(NC(=O)C2CC2)c1	ZINC000061691986	181346233	/nfs/dbraw/zinc/34/62/33/181346233.db2.gz	JKUYNUMNVLDNNK-UHFFFAOYSA-N	0	3	248.713	1.999	10	30		BDEEHN
NCC#Cc1cc(F)ccc1CN1CCCC1=O	ZINC000049609982	181345632	/nfs/dbraw/zinc/34/56/32/181345632.db2.gz	QYGLZOBWNXXWPR-UHFFFAOYSA-N	0	3	246.285	1.258	10	30		BDEEHN
NCC#Cc1cnc(NC(=O)C2CCC2)s1	ZINC000037471172	181347639	/nfs/dbraw/zinc/34/76/39/181347639.db2.gz	XYGKFGVFRGERQN-UHFFFAOYSA-N	0	3	235.312	1.192	10	30		BDEEHN
NCC#Cc1ccccc1CN1CCSCC1	ZINC000049608766	181346673	/nfs/dbraw/zinc/34/66/73/181346673.db2.gz	AVTIBCOCBJTCPT-UHFFFAOYSA-N	0	3	246.379	1.546	10	30		BDEEHN
C=C(C)CCNCc1c(C)nn(C)c1OC	ZINC000386707635	368011868	/nfs/dbraw/zinc/01/18/68/368011868.db2.gz	OQOYUYVXKTXDRR-UHFFFAOYSA-N	0	3	223.320	1.793	10	30		BDEEHN
N#CCC[C@H](C#N)CN[C@@H]1CCC[C@@H](O)C1	ZINC000309558334	370229288	/nfs/dbraw/zinc/22/92/88/370229288.db2.gz	INPGXZHSFXCTIJ-IJLUTSLNSA-N	0	3	221.304	1.323	10	30		BDEEHN
C#C[C@H](N)[C@H]1SCCS[C@H]1CC	ZINC000228290065	372012430	/nfs/dbraw/zinc/01/24/30/372012430.db2.gz	IRKNBIHTZIAIBL-XHNCKOQMSA-N	0	3	201.360	1.574	10	30		BDEEHN
COC[C@@H](C)NCc1ccc(C#N)cc1C	ZINC000229135933	372121188	/nfs/dbraw/zinc/12/11/88/372121188.db2.gz	LVOLDGKJEFHXSL-LLVKDONJSA-N	0	3	218.300	1.991	10	30		BDEEHN
C=C(C)CN[C@@H]1CCCC[C@@H]1NS(C)(=O)=O	ZINC000381145513	373928186	/nfs/dbraw/zinc/92/81/86/373928186.db2.gz	NPHFVMCRDFTHQI-MNOVXSKESA-N	0	3	246.376	1.013	10	30		BDEEHN
CCCNC(=O)C(C#N)Cc1ccccc1	ZINC000044808643	169245121	/nfs/dbraw/zinc/24/51/21/169245121.db2.gz	NAPDJPPQMYLJJI-LBPRGKRZSA-N	0	3	216.284	1.895	10	30		BDEEHN
CCC[C@@H](C)NC(=O)c1ccc(C#CCN)cc1	ZINC000037570093	169368691	/nfs/dbraw/zinc/36/86/91/169368691.db2.gz	XWNYHFDYWMEMSO-GFCCVEGCSA-N	0	3	244.338	1.915	10	30		BDEEHN
CCC[C@@H](N)C(=O)N(C)c1cccc(C#N)c1	ZINC000061981003	169386877	/nfs/dbraw/zinc/38/68/77/169386877.db2.gz	KHXKTNCXPNLSBI-GFCCVEGCSA-N	0	3	231.299	1.648	10	30		BDEEHN
CNC(=NN)c1ccc(Cl)c(F)c1	ZINC000234514684	384195853	/nfs/dbraw/zinc/19/58/53/384195853.db2.gz	MFADTNAMQXMRES-UHFFFAOYSA-N	0	3	201.632	1.319	10	30		BDEEHN
COCC(C)(C)CN[C@@H]1CCC[C@H]1C#N	ZINC000309088913	385412031	/nfs/dbraw/zinc/41/20/31/385412031.db2.gz	CQIXBTCHFTYFMZ-WDEREUQCSA-N	0	3	210.321	1.941	10	30		BDEEHN
Cc1ccc(C#N)c(N2CCN3CCC[C@H]3C2)n1	ZINC000246618658	386667286	/nfs/dbraw/zinc/66/72/86/386667286.db2.gz	XMCPAKHPEBDCSN-ZDUSSCGKSA-N	0	3	242.326	1.546	10	30		BDEEHN
C[C@@H]1CN(c2ccc(C#N)c(F)c2)CCN1	ZINC000211935573	387010754	/nfs/dbraw/zinc/01/07/54/387010754.db2.gz	VLDAWSDJWYAPBR-SECBINFHSA-N	0	3	219.263	1.495	10	30		BDEEHN
CN(C)[C@@H]1CCN(C(=O)C2(C#N)CCCC2)C1	ZINC000071139971	387120118	/nfs/dbraw/zinc/12/01/18/387120118.db2.gz	CQQYEZJZXJCTGH-LLVKDONJSA-N	0	3	235.331	1.233	10	30		BDEEHN
CC(C)[C@H](C)NC(=O)[C@@H](N)CCCC#N	ZINC000424071689	387475898	/nfs/dbraw/zinc/47/58/98/387475898.db2.gz	BUNGXMGEPFNYBR-UWVGGRQHSA-N	0	3	211.309	1.168	10	30		BDEEHN
C[C@H]1CN2CCC[C@H]2CN1c1ncccc1C#N	ZINC000252675109	388658568	/nfs/dbraw/zinc/65/85/68/388658568.db2.gz	WVDAVORJHCZPSB-AAEUAGOBSA-N	0	3	242.326	1.626	10	30		BDEEHN
N#C[C@@H]1CCC[C@H]1NCC[C@@H]1CCOC1	ZINC000220881162	134316841	/nfs/dbraw/zinc/31/68/41/134316841.db2.gz	IUNNDRYMRNYTJX-GRYCIOLGSA-N	0	3	208.305	1.695	10	30		BDEEHN
N#CCCN1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O	ZINC000337273396	135008949	/nfs/dbraw/zinc/00/89/49/135008949.db2.gz	CRSLVKIMANTPJJ-XQQFMLRXSA-N	0	3	222.332	1.916	10	30		BDEEHN
CC#CCCN1C[C@@H]2CCCCN2C[C@H]1C	ZINC000252839317	135111751	/nfs/dbraw/zinc/11/17/51/135111751.db2.gz	ZVSXWNXWOFGEHB-KGLIPLIRSA-N	0	3	220.360	1.958	10	30		BDEEHN
N#CC1(CN2CCN3CCC[C@H]3C2)CC1	ZINC000259242030	135142115	/nfs/dbraw/zinc/14/21/15/135142115.db2.gz	PUHVGLDLYRQQIW-NSHDSACASA-N	0	3	205.305	1.070	10	30		BDEEHN
N/C(=N/O)[C@H]1CCCCN1CC1CCCC1	ZINC000079817250	135362345	/nfs/dbraw/zinc/36/23/45/135362345.db2.gz	RMJZZORKDRGWSC-LLVKDONJSA-N	0	3	225.336	1.778	10	30		BDEEHN
C#CCNC[C@@H](C)n1nnc(-c2ccccc2)n1	ZINC000053500291	166188079	/nfs/dbraw/zinc/18/80/79/166188079.db2.gz	KXTRMIVLGPFWRC-LLVKDONJSA-N	0	3	241.298	1.124	10	30		BDEEHN
C#CCNC[C@H](C)n1nc(C)c(C)c1C	ZINC000053540242	166188870	/nfs/dbraw/zinc/18/88/70/166188870.db2.gz	XSNRJOBPDDPHNL-VIFPVBQESA-N	0	3	205.305	1.592	10	30		BDEEHN
C=CCNC(=O)[C@@H](C)N[C@@H]1CCc2ccccc21	ZINC000035180610	166382029	/nfs/dbraw/zinc/38/20/29/166382029.db2.gz	JYVILIIJQQZTAC-BXUZGUMPSA-N	0	3	244.338	1.954	10	30		BDEEHN
C=CCNC(=O)[C@@H](C)NCCOc1ccccc1	ZINC000048777063	166382694	/nfs/dbraw/zinc/38/26/94/166382694.db2.gz	RANSZIRNRRIXBK-GFCCVEGCSA-N	0	3	248.326	1.346	10	30		BDEEHN
C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)NC	ZINC000659332078	411395329	/nfs/dbraw/zinc/39/53/29/411395329.db2.gz	XWTOTTHPSWMIBE-IJLUTSLNSA-N	0	3	224.348	1.845	10	30		BDEEHN
CCNCc1cc2c(cc1OCC#N)OCO2	ZINC000042874543	170125169	/nfs/dbraw/zinc/12/51/69/170125169.db2.gz	LOJSEKMWLXLLIR-UHFFFAOYSA-N	0	3	234.255	1.427	10	30		BDEEHN
CC[C@@H](C)[C@@H](N)C(=O)NCc1cccc(C#N)c1	ZINC000037748656	170777240	/nfs/dbraw/zinc/77/72/40/170777240.db2.gz	CIASJVKNBGTQMC-ZWNOBZJWSA-N	0	3	245.326	1.548	10	30		BDEEHN
C=CC[C@H]1CCCN(C(=O)[C@H](N)CCC)C1	ZINC000662634702	412250931	/nfs/dbraw/zinc/25/09/31/412250931.db2.gz	IFZMOCKZIYIAOQ-NWDGAFQWSA-N	0	3	224.348	1.929	10	30		BDEEHN
C=CCN(C(=O)[C@H](N)CCC)[C@@H](C)COC	ZINC000662855971	412325277	/nfs/dbraw/zinc/32/52/77/412325277.db2.gz	XKXYDEDXKGCSMI-WDEREUQCSA-N	0	3	228.336	1.163	10	30		BDEEHN
CN(Cc1ccccc1)C[C@]1(C=O)CCOC1	ZINC000051175715	172871558	/nfs/dbraw/zinc/87/15/58/172871558.db2.gz	XNPOMQBEPIIOOK-AWEZNQCLSA-N	0	3	233.311	1.724	10	30		BDEEHN
CN1CC[C@@H](Nc2ccc(N)cc2C#N)C1	ZINC000042545212	173125266	/nfs/dbraw/zinc/12/52/66/173125266.db2.gz	GWEPBJBYJXJIOD-LLVKDONJSA-N	0	3	216.288	1.256	10	30		BDEEHN
CN1CC[C@H](Nc2ccc(C#N)cc2F)C1	ZINC000049086214	173154666	/nfs/dbraw/zinc/15/46/66/173154666.db2.gz	OKCVJGXQTISLSL-JTQLQIEISA-N	0	3	219.263	1.813	10	30		BDEEHN
CN1[C@@H]2CC[C@H]1CC(C#N)(NC[C@@H]1CCCO1)C2	ZINC000037939811	173207009	/nfs/dbraw/zinc/20/70/09/173207009.db2.gz	JZXRCJOKMYEBIX-WJLOJVBCSA-N	0	3	249.358	1.274	10	30		BDEEHN
COCCCOc1ccc(F)cc1C#CCN	ZINC000037754259	174257145	/nfs/dbraw/zinc/25/71/45/174257145.db2.gz	JAWOHMDGPXKSIB-UHFFFAOYSA-N	0	3	237.274	1.551	10	30		BDEEHN
COCCOCCOc1cccc(C#CCN)c1	ZINC000049610715	174359612	/nfs/dbraw/zinc/35/96/12/174359612.db2.gz	WVYCLVZFCYVOHJ-UHFFFAOYSA-N	0	3	249.310	1.039	10	30		BDEEHN
COc1ccccc1[C@@H](C#N)NCCN(C)C	ZINC000019989713	175343862	/nfs/dbraw/zinc/34/38/62/175343862.db2.gz	OTGXMKVKVFEBMP-GFCCVEGCSA-N	0	3	233.315	1.411	10	30		BDEEHN
C[C@@H]1CCC(=O)N1CC#CCN1CCCC1	ZINC000013448098	176061950	/nfs/dbraw/zinc/06/19/50/176061950.db2.gz	BZCOASIWPFVBQZ-GFCCVEGCSA-N	0	3	220.316	1.097	10	30		BDEEHN
C[C@@H]1CC[C@H](C(N)=O)CN1[C@@H]1CCC[C@@H]1C#N	ZINC000042428743	176222216	/nfs/dbraw/zinc/22/22/16/176222216.db2.gz	DTQYZLFDMSLLAP-WISYIIOYSA-N	0	3	235.331	1.264	10	30		BDEEHN
C=C(C)COCCNC(=O)[C@H](CCC)N(C)C	ZINC000155637140	326204971	/nfs/dbraw/zinc/20/49/71/326204971.db2.gz	KBMLHWQWZDHBTM-LBPRGKRZSA-N	0	3	242.363	1.426	10	30		BDEEHN
NCC#Cc1csc(CN2CCC2)c1	ZINC000307478628	566279306	/nfs/dbraw/zinc/27/93/06/566279306.db2.gz	IXFZGANEMJTQAO-UHFFFAOYSA-N	0	3	206.314	1.264	10	30		BDEEHN
C=C(Cl)CN1C[C@@H]2CC[C@H](O)C[C@H]2C1	ZINC000306766619	643243010	/nfs/dbraw/zinc/24/30/10/643243010.db2.gz	BNARTDHUJKFMJH-DCAQKATOSA-N	0	3	215.724	1.832	10	30		BDEEHN
Cc1cc(F)ccc1[C@@H](C#N)NCCN(C)C	ZINC000050579542	178091988	/nfs/dbraw/zinc/09/19/88/178091988.db2.gz	LTWGBGMPBFDJSE-CYBMUJFWSA-N	0	3	235.306	1.850	10	30		BDEEHN
C=C(Cl)CN1CCC2(CCO2)CC1	ZINC000307387895	136222145	/nfs/dbraw/zinc/22/21/45/136222145.db2.gz	NIFCGLGTJLAIAD-UHFFFAOYSA-N	0	3	201.697	1.994	10	30		BDEEHN
Cc1cc([C@H](C#N)NCCN(C)C)cc(C)c1O	ZINC000037940821	178244295	/nfs/dbraw/zinc/24/42/95/178244295.db2.gz	VNHJYEMYEBGFIG-ZDUSSCGKSA-N	0	3	247.342	1.725	10	30		BDEEHN
C[C@H]1OCC[C@H]1NCc1ccnc(C#N)c1	ZINC000134543139	342863549	/nfs/dbraw/zinc/86/35/49/342863549.db2.gz	KFRYHRDZESNMCN-BXKDBHETSA-N	0	3	217.272	1.220	10	30		BDEEHN
CCN1CCC[C@@H](Nc2ncncc2C#N)C1	ZINC000310320147	343424424	/nfs/dbraw/zinc/42/44/24/343424424.db2.gz	UKVFUGOYKUUVQZ-LLVKDONJSA-N	0	3	231.303	1.244	10	30		BDEEHN
C=C(C)CN1CCC(N(C)c2cccnn2)CC1	ZINC000105910317	136363865	/nfs/dbraw/zinc/36/38/65/136363865.db2.gz	PPNCCPIQVNUWTO-UHFFFAOYSA-N	0	3	246.358	1.953	10	30		BDEEHN
CCN(C)Cc1ccc(C#CCO)s1	ZINC000043679374	343698679	/nfs/dbraw/zinc/69/86/79/343698679.db2.gz	STURMQHLZXQBDU-UHFFFAOYSA-N	0	3	209.314	1.544	10	30		BDEEHN
C=C(C)CNC(=O)N[C@H]1CCCN(CC)C1	ZINC000187897810	259370456	/nfs/dbraw/zinc/37/04/56/259370456.db2.gz	WAFFQGUEQLPVKQ-NSHDSACASA-N	0	3	225.336	1.346	10	30		BDEEHN
C#CCN[C@H]1CCCC[C@@H]1n1cccn1	ZINC000128514324	344206374	/nfs/dbraw/zinc/20/63/74/344206374.db2.gz	VTAPDFPNLAXOEU-RYUDHWBXSA-N	0	3	203.289	1.590	10	30		BDEEHN
C#C[C@H](C)NCCNC(=O)OC(C)(C)C	ZINC000166514222	344918194	/nfs/dbraw/zinc/91/81/94/344918194.db2.gz	LGBGZTTYJCUAJM-VIFPVBQESA-N	0	3	212.293	1.122	10	30		BDEEHN
C[C@@H]1OCC[C@@H]1CN[C@@H]1CCC[C@H]1C#N	ZINC000300383351	345809454	/nfs/dbraw/zinc/80/94/54/345809454.db2.gz	OWOUPIUTUHXUJH-NNYUYHANSA-N	0	3	208.305	1.693	10	30		BDEEHN
Cc1cccc([C@H](CN)N(CC#N)CC#N)c1	ZINC000042965757	179199127	/nfs/dbraw/zinc/19/91/27/179199127.db2.gz	MBFWYBYYUILKDN-ZDUSSCGKSA-N	0	3	228.299	1.344	10	30		BDEEHN
CC(C#N)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000036935187	347964502	/nfs/dbraw/zinc/96/45/02/347964502.db2.gz	UYTKXCBJCQOVHG-SSDOTTSWSA-N	0	3	204.185	1.937	10	30		BDEEHN
C[C@]1(C#N)CCN(C(=O)[C@]2(C)CCCCN2)C1	ZINC000595979681	348414324	/nfs/dbraw/zinc/41/43/24/348414324.db2.gz	CIKSVFYIDVVWPF-OLZOCXBDSA-N	0	3	235.331	1.281	10	30		BDEEHN
N#Cc1cccc([C@H]2CCCN2CCO)c1	ZINC000616608576	350805459	/nfs/dbraw/zinc/80/54/59/350805459.db2.gz	VYQFYRAJFJFMEX-CYBMUJFWSA-N	0	3	216.284	1.687	10	30		BDEEHN
CC(C)N1CCN[C@@H](c2cccc(C#N)c2)C1	ZINC000616632403	351110864	/nfs/dbraw/zinc/11/08/64/351110864.db2.gz	PUHSCTVODDZJLX-CQSZACIVSA-N	0	3	229.327	1.913	10	30		BDEEHN
N#Cc1cccc([C@@H]2COCCCN2)c1	ZINC000616647990	351175552	/nfs/dbraw/zinc/17/55/52/351175552.db2.gz	QWSRUFYMBYOPOK-LBPRGKRZSA-N	0	3	202.257	1.609	10	30		BDEEHN
CN1CCOC[C@H](c2ccc(C#N)cc2)C1	ZINC000616659211	351206426	/nfs/dbraw/zinc/20/64/26/351206426.db2.gz	OMZFJAPXOJWJEU-CYBMUJFWSA-N	0	3	216.284	1.604	10	30		BDEEHN
C(CN1CCO[C@H]2CCCC[C@H]21)[C@@H]1CO1	ZINC000307021490	351429969	/nfs/dbraw/zinc/42/99/69/351429969.db2.gz	XCNPSEJSQAYHKH-UTUOFQBUSA-N	0	3	211.305	1.419	10	30		BDEEHN
C=CCNC[C@H](O)COc1ccc(CC)cc1	ZINC000033465463	187546454	/nfs/dbraw/zinc/54/64/54/187546454.db2.gz	ZXUZNWRNXKEVLN-ZDUSSCGKSA-N	0	3	235.327	1.764	10	30		BDEEHN
C#CC[C@H](N)C(=O)NCc1ccc(Cl)cc1	ZINC000083364262	188270629	/nfs/dbraw/zinc/27/06/29/188270629.db2.gz	NRNSDIBLVOPFGY-NSHDSACASA-N	0	3	236.702	1.307	10	30		BDEEHN
N#CCCNC(=O)CN[C@H]1CCc2ccccc21	ZINC000035180625	188285030	/nfs/dbraw/zinc/28/50/30/188285030.db2.gz	POPBFOKNXDULTM-ZDUSSCGKSA-N	0	3	243.310	1.293	10	30		BDEEHN
C#Cc1cccc(N[C@@H]2CCN(C)C2)c1	ZINC000061984466	188360685	/nfs/dbraw/zinc/36/06/85/188360685.db2.gz	JRLBNCTUYAQQJF-CYBMUJFWSA-N	0	3	200.285	1.784	10	30		BDEEHN
N#C[C@@H]1CCC[C@H]1NC1(CO)CCCC1	ZINC000054829830	181059682	/nfs/dbraw/zinc/05/96/82/181059682.db2.gz	BRDZCTZQOGVPHG-WDEREUQCSA-N	0	3	208.305	1.573	10	30		BDEEHN
N#CC(C(=O)c1ccncc1)c1ccccn1	ZINC000078316952	181062613	/nfs/dbraw/zinc/06/26/13/181062613.db2.gz	BXOBYHXXVKJVIJ-NSHDSACASA-N	0	3	223.235	1.967	10	30		BDEEHN
N#Cc1ccc(CSC2=NCCN2)c(F)c1	ZINC000012811930	181111089	/nfs/dbraw/zinc/11/10/89/181111089.db2.gz	HYVUWCHKYCUWRB-UHFFFAOYSA-N	0	3	235.287	1.890	10	30		BDEEHN
N#Cc1ccc(CN[C@@H]2CCC[C@@H]2O)s1	ZINC000165229591	181109430	/nfs/dbraw/zinc/10/94/30/181109430.db2.gz	SXRAUGSEPKVFOZ-MNOVXSKESA-N	0	3	222.313	1.623	10	30		BDEEHN
N#Cc1ccc(CNC[C@H]2CCC[C@H]2O)o1	ZINC000135487963	181109516	/nfs/dbraw/zinc/10/95/16/181109516.db2.gz	GTQGTZOPDBWSHI-BXKDBHETSA-N	0	3	220.272	1.402	10	30		BDEEHN
N/C(=N/O)c1ccc(CN2CCCOCC2)cc1	ZINC000061918886	181180086	/nfs/dbraw/zinc/18/00/86/181180086.db2.gz	IDYZRMSDHPFQIV-UHFFFAOYSA-N	0	3	249.314	1.003	10	30		BDEEHN
C=C(Br)CNc1cccc(N)n1	ZINC000168408481	355791567	/nfs/dbraw/zinc/79/15/67/355791567.db2.gz	OWPWLFKFASHVAG-UHFFFAOYSA-N	0	3	228.093	1.984	10	30		BDEEHN
C#CCC1=C[C@H](N)CN(C(=O)OC(C)(C)C)C1	ZINC000675077192	538512868	/nfs/dbraw/zinc/51/28/68/538512868.db2.gz	AJDLTWRXVZFCTI-NSHDSACASA-N	0	3	236.315	1.514	10	30		BDEEHN
CC[C@H](C#N)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C	ZINC000094460724	357663280	/nfs/dbraw/zinc/66/32/80/357663280.db2.gz	DXQRNGCPKAAAKZ-TUAOUCFPSA-N	0	3	235.331	1.231	10	30		BDEEHN
CCCCCCCN1C[C@@H](C)O[C@H](C(N)=O)C1	ZINC000122627825	134240366	/nfs/dbraw/zinc/24/03/66/134240366.db2.gz	OQWXFUNGEJRTOX-NEPJUHHUSA-N	0	3	242.363	1.531	10	30		BDEEHN
CCN(CC)CC#CC#CC(C)(C)NC(C)=O	ZINC000584591255	358249801	/nfs/dbraw/zinc/24/98/01/358249801.db2.gz	ZYKXZFCXWFGUTM-UHFFFAOYSA-N	0	3	234.343	1.250	10	30		BDEEHN
CS[C@@H]1CCC[C@H]1NC(=O)C(C)C#N	ZINC000300357778	358970454	/nfs/dbraw/zinc/97/04/54/358970454.db2.gz	PKMYKNYLCPFBGK-IWSPIJDZSA-N	0	3	212.318	1.546	10	30		BDEEHN
C#C[C@H](N)[C@H]1SCCS[C@@H]1CC	ZINC000228151911	359011422	/nfs/dbraw/zinc/01/14/22/359011422.db2.gz	IRKNBIHTZIAIBL-DJLDLDEBSA-N	0	3	201.360	1.574	10	30		BDEEHN
CN(CCC(C)(C)C#N)C[C@@H]1CN(C)CCO1	ZINC000611462537	359373543	/nfs/dbraw/zinc/37/35/43/359373543.db2.gz	PUJVNEBBAJVTOI-GFCCVEGCSA-N	0	3	239.363	1.189	10	30		BDEEHN
C#CCOc1cccc(CNCCN(C)C)c1	ZINC000045946476	359745775	/nfs/dbraw/zinc/74/57/75/359745775.db2.gz	RQXRVWOQQZFVNX-UHFFFAOYSA-N	0	3	232.327	1.350	10	30		BDEEHN
N#CCCCCN1CCN2CCCC[C@H]2C1	ZINC000093952571	360292140	/nfs/dbraw/zinc/29/21/40/360292140.db2.gz	VNPIXUOGFFXXFU-ZDUSSCGKSA-N	0	3	221.348	1.850	10	30		BDEEHN
c1ccc2c(c1)CCN(C[C@H]1CO1)CC2	ZINC000070620773	361647578	/nfs/dbraw/zinc/64/75/78/361647578.db2.gz	RQHHDLPSBQYUDQ-ZDUSSCGKSA-N	0	3	203.285	1.486	10	30		BDEEHN
NCC#Cc1ccc(C(=O)Nc2ncc[nH]2)s1	ZINC000104114527	181346262	/nfs/dbraw/zinc/34/62/62/181346262.db2.gz	WQNOGJQWTVOPPQ-UHFFFAOYSA-N	0	3	246.295	1.034	10	30		BDEEHN
NCC#Cc1ccc2c(c1)OCCCO2	ZINC000037470991	181346747	/nfs/dbraw/zinc/34/67/47/181346747.db2.gz	HIYAQPAPJQGJLD-UHFFFAOYSA-N	0	3	203.241	1.158	10	30		BDEEHN
NCC#Cc1ccccc1NC(=O)NC1CC1	ZINC000054457889	181347706	/nfs/dbraw/zinc/34/77/06/181347706.db2.gz	DZYVIAVHAXEUQY-UHFFFAOYSA-N	0	3	229.283	1.281	10	30		BDEEHN
NCC#Cc1cccc(CNC(=O)C2CCC2)c1	ZINC000049586516	181346678	/nfs/dbraw/zinc/34/66/78/181346678.db2.gz	WCTUKAJXDOUAEN-UHFFFAOYSA-N	0	3	242.322	1.413	10	30		BDEEHN
NCC#Cc1ccc(NC(=O)C2CC2)cc1	ZINC000037471187	181346696	/nfs/dbraw/zinc/34/66/96/181346696.db2.gz	RCTKVKRPLJMGFJ-UHFFFAOYSA-N	0	3	214.268	1.345	10	30		BDEEHN
CCC[C@H](N)C(=O)N1Cc2cccc(C#N)c2C1	ZINC000405080140	369444860	/nfs/dbraw/zinc/44/48/60/369444860.db2.gz	FQDVJZGDIMLESD-ZDUSSCGKSA-N	0	3	243.310	1.528	10	30		BDEEHN
CC[C@H](C#N)C(=O)N1C[C@@H]2CCCN2C[C@H]1C	ZINC000251196266	369730849	/nfs/dbraw/zinc/73/08/49/369730849.db2.gz	DXQRNGCPKAAAKZ-UTUOFQBUSA-N	0	3	235.331	1.231	10	30		BDEEHN
C[C@H](O)CCCN[C@H]1CCCC[C@@H]1C#N	ZINC000227710914	371925661	/nfs/dbraw/zinc/92/56/61/371925661.db2.gz	HSHWQCOAEMYCBO-TUAOUCFPSA-N	0	3	210.321	1.819	10	30		BDEEHN
Oc1ccc2c(c1)[C@@H](CCS)NCC2	ZINC000083663914	183281513	/nfs/dbraw/zinc/28/15/13/183281513.db2.gz	JBGXMXMGMBZWIJ-LLVKDONJSA-N	0	3	209.314	1.899	10	30		BDEEHN
CCCN(CCO)Cc1ccccc1C#CCO	ZINC000049614063	169167482	/nfs/dbraw/zinc/16/74/82/169167482.db2.gz	OLRQQHGKWRIQCM-UHFFFAOYSA-N	0	3	247.338	1.235	10	30		BDEEHN
Cn1cc([C@@H]2CCN(CCCC#N)C2)cn1	ZINC000116314747	384129527	/nfs/dbraw/zinc/12/95/27/384129527.db2.gz	KZLMOQFZTSYYID-LLVKDONJSA-N	0	3	218.304	1.513	10	30		BDEEHN
C#CCCN1C[C@H]2CCCCN2C[C@H]1C	ZINC000086929629	533058214	/nfs/dbraw/zinc/05/82/14/533058214.db2.gz	IDNLSZMKGIEZBL-CHWSQXEVSA-N	0	3	206.333	1.568	10	30		BDEEHN
C=CC[C@@H](C)NC(=O)[C@@H](CCC)N(C)C	ZINC000160648145	384426944	/nfs/dbraw/zinc/42/69/44/384426944.db2.gz	IUXZSZPCHWPDAO-GHMZBOCLSA-N	0	3	212.337	1.798	10	30		BDEEHN
C=CC[C@@H](C)NC(=O)[C@H](CCC)N(C)C	ZINC000160648018	384427026	/nfs/dbraw/zinc/42/70/26/384427026.db2.gz	IUXZSZPCHWPDAO-MNOVXSKESA-N	0	3	212.337	1.798	10	30		BDEEHN
COC(=O)c1ccc(/N=C/N(C)C)cc1	ZINC000137185703	384519865	/nfs/dbraw/zinc/51/98/65/384519865.db2.gz	NQVUPXYJLAGUBE-XYOKQWHBSA-N	0	3	206.245	1.695	10	30		BDEEHN
C[C@H](N)C(=O)N1CC[C@@]2(CC[C@@H](CS)C2)C1	ZINC000100248066	384627361	/nfs/dbraw/zinc/62/73/61/384627361.db2.gz	VLJYMRXGXDSNOY-HOSYDEDBSA-N	0	3	242.388	1.282	10	30		BDEEHN
N#Cc1ccc(N2CCN3CCCC[C@@H]3C2)cn1	ZINC000149384161	385310136	/nfs/dbraw/zinc/31/01/36/385310136.db2.gz	MSUXOURFUDWQMH-CQSZACIVSA-N	0	3	242.326	1.628	10	30		BDEEHN
COc1ccc(C#N)cc1CN[C@@H]1CCO[C@@H]1C	ZINC000149588436	385272674	/nfs/dbraw/zinc/27/26/74/385272674.db2.gz	WCHSDHRLBLGCQK-ZWNOBZJWSA-N	0	3	246.310	1.834	10	30		BDEEHN
N#CC1(CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)CC1	ZINC000425527171	386312738	/nfs/dbraw/zinc/31/27/38/386312738.db2.gz	LSRXXHFCVFYHNZ-TUAOUCFPSA-N	0	3	220.316	1.383	10	30		BDEEHN
C#CC[C@@H](N)c1c(Br)cnn1C	ZINC000575483207	387182004	/nfs/dbraw/zinc/18/20/04/387182004.db2.gz	OJNTURRIWCOUHA-SSDOTTSWSA-N	0	3	228.093	1.206	10	30		BDEEHN
CC[C@@H](NC(=O)[C@@H](N)CCCC#N)C(C)C	ZINC000424102715	387527172	/nfs/dbraw/zinc/52/71/72/387527172.db2.gz	LTVOWGWWQLYEQC-WDEREUQCSA-N	0	3	225.336	1.558	10	30		BDEEHN
CC(C#N)C(=O)N[C@H]1CCOc2ccccc21	ZINC000051987855	387802930	/nfs/dbraw/zinc/80/29/30/387802930.db2.gz	QPEIMGMLRVOJCM-KOLCDFICSA-N	0	3	230.267	1.786	10	30		BDEEHN
CC#CCCN1CCN2CCCC[C@@H]2C1	ZINC000156646304	388014697	/nfs/dbraw/zinc/01/46/97/388014697.db2.gz	HCAWPGCVFVDDFX-CYBMUJFWSA-N	0	3	206.333	1.570	10	30		BDEEHN
C=CCCOCCNC(=O)[C@@H](CCC)N(C)C	ZINC000128164513	388739826	/nfs/dbraw/zinc/73/98/26/388739826.db2.gz	AWFGPEVAEOVEEH-GFCCVEGCSA-N	0	3	242.363	1.426	10	30		BDEEHN
C=CCCC(=O)N1CCCN(C2CC2)CC1	ZINC000170683290	134253262	/nfs/dbraw/zinc/25/32/62/134253262.db2.gz	XDCRRJWTSPTRSU-UHFFFAOYSA-N	0	3	222.332	1.649	10	30		BDEEHN
Cc1cnc([C@@H](C)NC(=O)C(C)C#N)o1	ZINC000226615372	134368221	/nfs/dbraw/zinc/36/82/21/134368221.db2.gz	SVDFOQKUJROTJC-HTRCEHHLSA-N	0	3	207.233	1.320	10	30		BDEEHN
C=C(C)C[C@@H](C)C(=O)N1CC[C@H](N(C)C)C1	ZINC000185457035	134380619	/nfs/dbraw/zinc/38/06/19/134380619.db2.gz	GSZGXFXJUFCRRR-NEPJUHHUSA-N	0	3	224.348	1.751	10	30		BDEEHN
C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](N(C)C)C1	ZINC000185457073	134380671	/nfs/dbraw/zinc/38/06/71/134380671.db2.gz	GSZGXFXJUFCRRR-VXGBXAGGSA-N	0	3	224.348	1.751	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1N[C@H]1CCCOCC1	ZINC000250636301	135056779	/nfs/dbraw/zinc/05/67/79/135056779.db2.gz	FTUACUODWKSADA-SRVKXCTJSA-N	0	3	208.305	1.837	10	30		BDEEHN
C[C@H](N[C@@H]1CCC[C@@H]1C#N)[C@H]1CCOC1	ZINC000252933652	135117861	/nfs/dbraw/zinc/11/78/61/135117861.db2.gz	DAQQDFWQKFIDLE-WHOHXGKFSA-N	0	3	208.305	1.693	10	30		BDEEHN
C[C@H]1NC(=O)CC[C@@H]1NCC#Cc1ccccc1	ZINC000282274012	135370883	/nfs/dbraw/zinc/37/08/83/135370883.db2.gz	HUCNJUVIDDMQRV-OCCSQVGLSA-N	0	3	242.322	1.295	10	30		BDEEHN
C=CCCCC(=O)N1CC[C@@H](N(C)C)C1	ZINC000175551211	398045108	/nfs/dbraw/zinc/04/51/08/398045108.db2.gz	AYYZEDNWGZQLGA-LLVKDONJSA-N	0	3	210.321	1.505	10	30		BDEEHN
C[C@H]1[C@H](O)CCCN1Cc1ccc(C#N)cc1	ZINC000294960479	398102840	/nfs/dbraw/zinc/10/28/40/398102840.db2.gz	IGVFBHHDQKRCFE-SMDDNHRTSA-N	0	3	230.311	1.903	10	30		BDEEHN
C#CC[C@H](N)C(=O)NCCCc1ccccc1	ZINC000083357537	166206439	/nfs/dbraw/zinc/20/64/39/166206439.db2.gz	RPVHLOWADLCTKU-ZDUSSCGKSA-N	0	3	230.311	1.086	10	30		BDEEHN
C#CC[C@H](N)C(=O)NCCCCCCCC	ZINC000106205409	166206723	/nfs/dbraw/zinc/20/67/23/166206723.db2.gz	WYGFQFIQJZCPTL-LBPRGKRZSA-N	0	3	224.348	1.814	10	30		BDEEHN
C#Cc1cccc(NC(=O)[C@@H]2CCCCN2)c1	ZINC000019516896	166222973	/nfs/dbraw/zinc/22/29/73/166222973.db2.gz	FOEHFOJEMVOERG-ZDUSSCGKSA-N	0	3	228.295	1.749	10	30		BDEEHN
C#Cc1cccc(NC(=O)[C@H](N)CC)c1	ZINC000036871451	166223162	/nfs/dbraw/zinc/22/31/62/166223162.db2.gz	NJSWRGMGGJRNTR-LLVKDONJSA-N	0	3	202.257	1.344	10	30		BDEEHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)NC	ZINC000659332081	411396002	/nfs/dbraw/zinc/39/60/02/411396002.db2.gz	XWTOTTHPSWMIBE-UTUOFQBUSA-N	0	3	224.348	1.845	10	30		BDEEHN
CCOC(=O)C(C#N)Cc1cccc([N+](=O)[O-])c1	ZINC000074468370	170263568	/nfs/dbraw/zinc/26/35/68/170263568.db2.gz	FCWZULBTRPVZAV-JTQLQIEISA-N	0	3	248.238	1.840	10	30		BDEEHN
CC[C@H](C)C(=O)NCc1ccc(C#CCN)cc1	ZINC000049586310	171252290	/nfs/dbraw/zinc/25/22/90/171252290.db2.gz	HUFFMJBTJXZLMZ-LBPRGKRZSA-N	0	3	244.338	1.659	10	30		BDEEHN
CC[C@H](C)NC(=O)CCNCCCC#N	ZINC000038014760	171322948	/nfs/dbraw/zinc/32/29/48/171322948.db2.gz	HHYVCFCWHXNVOO-JTQLQIEISA-N	0	3	211.309	1.185	10	30		BDEEHN
CN(C)C(=O)C(C#N)Cc1ccccc1	ZINC000044812250	172383698	/nfs/dbraw/zinc/38/36/98/172383698.db2.gz	BUKXJLLORBNAFE-LLVKDONJSA-N	0	3	202.257	1.457	10	30		BDEEHN
CNCC(=O)Nc1cc(C#N)cc(F)c1C	ZINC000037043428	173332691	/nfs/dbraw/zinc/33/26/91/173332691.db2.gz	XHPBTQMRUJFXOI-UHFFFAOYSA-N	0	3	221.235	1.164	10	30		BDEEHN
CNCc1cc(Cl)ccc1OCC#N	ZINC000037703383	173386999	/nfs/dbraw/zinc/38/69/99/173386999.db2.gz	CMHUZSCYIQNFBE-UHFFFAOYSA-N	0	3	210.664	1.962	10	30		BDEEHN
CNCc1cc2c(cc1OCC#N)OCO2	ZINC000042874249	173387009	/nfs/dbraw/zinc/38/70/09/173387009.db2.gz	UDSXYCXENJGPKD-UHFFFAOYSA-N	0	3	220.228	1.037	10	30		BDEEHN
COc1ccc([C@@H](CN)N(C)CCC#N)cc1	ZINC000042960531	175178572	/nfs/dbraw/zinc/17/85/72/175178572.db2.gz	YZXHSFHNSBDAMY-CYBMUJFWSA-N	0	3	233.315	1.540	10	30		BDEEHN
COc1ccc2c(c1)C(=NNC(=N)N)CCC2	ZINC000029226534	175206096	/nfs/dbraw/zinc/20/60/96/175206096.db2.gz	WFIFYMSOXCLBRU-RVDMUPIBSA-N	0	3	232.287	1.009	10	30		BDEEHN
COc1cccc([C@@H](CN)N(C)CCC#N)c1	ZINC000043026031	175287380	/nfs/dbraw/zinc/28/73/80/175287380.db2.gz	YPWTWNJAJYDNRW-CYBMUJFWSA-N	0	3	233.315	1.540	10	30		BDEEHN
COc1cccc([C@H](CN)N(CC#N)CC#N)c1	ZINC000043026005	175294394	/nfs/dbraw/zinc/29/43/94/175294394.db2.gz	FDDJFBUWMNZWSN-ZDUSSCGKSA-N	0	3	244.298	1.044	10	30		BDEEHN
C[C@H](S)[C@@H]1[NH2+]CCc2cccc([O-])c21	ZINC000083660562	177025788	/nfs/dbraw/zinc/02/57/88/177025788.db2.gz	FPASJYBOJPXPLI-CPCISQLKSA-N	0	3	209.314	1.897	10	30		BDEEHN
C[C@H]1CCC[C@](C#N)(NCCN(C)C)C1	ZINC000037940695	177143944	/nfs/dbraw/zinc/14/39/44/177143944.db2.gz	PJNXOUVSMWZYSL-RYUDHWBXSA-N	0	3	209.337	1.610	10	30		BDEEHN
C[C@H]1C[C@@H]1C(=O)NCc1cccc(C#CCN)c1	ZINC000049586523	177340922	/nfs/dbraw/zinc/34/09/22/177340922.db2.gz	QQDRRPLEWWOAHQ-FZMZJTMJSA-N	0	3	242.322	1.269	10	30		BDEEHN
CC#CCCN1CCN(CCOC)[C@@H](C)C1	ZINC000248395908	323018139	/nfs/dbraw/zinc/01/81/39/323018139.db2.gz	PESAKUKPJKGASH-ZDUSSCGKSA-N	0	3	224.348	1.052	10	30		BDEEHN
CC(C)N1C[C@H](NC(=O)C(C)(C)C#N)[C@@H](C)C1	ZINC000159106086	323022967	/nfs/dbraw/zinc/02/29/67/323022967.db2.gz	RMOBXKFTUORGFT-QWRGUYRKSA-N	0	3	237.347	1.381	10	30		BDEEHN
C[C@@H](NCc1ccnc(C#N)c1)[C@H]1CCCO1	ZINC000068752487	488129659	/nfs/dbraw/zinc/12/96/59/488129659.db2.gz	AKBBZGSXXFWADN-ZWNOBZJWSA-N	0	3	231.299	1.610	10	30		BDEEHN
CC[C@@H](C)CN1CCCC[C@@H]1/C(N)=N/O	ZINC000070662787	535514283	/nfs/dbraw/zinc/51/42/83/535514283.db2.gz	FOZNJJIBVRUHGM-NXEZZACHSA-N	0	3	213.325	1.633	10	30		BDEEHN
C=C(Cl)CN1C[C@@H]2CCCN2C[C@@H]1C	ZINC000226658215	534443379	/nfs/dbraw/zinc/44/33/79/534443379.db2.gz	RAMNDJLSLMMNLA-QWRGUYRKSA-N	0	3	214.740	1.907	10	30		BDEEHN
C=CCCC[C@H](C)NC(=O)[C@H](N)CCC	ZINC000183052538	534760068	/nfs/dbraw/zinc/76/00/68/534760068.db2.gz	ILPRHRFYJNRCHM-WDEREUQCSA-N	0	3	212.337	1.975	10	30		BDEEHN
C#CCCCCC(=O)Nc1ccnn1C1CNC1	ZINC000725258019	538069679	/nfs/dbraw/zinc/06/96/79/538069679.db2.gz	DBVSPJOKESLYNW-UHFFFAOYSA-N	0	3	246.314	1.160	10	30		BDEEHN
N#C[C@@H]1CCCC[C@H]1N[C@@H]1CCCC[C@H]1O	ZINC000595693369	583151185	/nfs/dbraw/zinc/15/11/85/583151185.db2.gz	STHNCTOFSRCQCK-UMSGYPCISA-N	0	3	222.332	1.962	10	30		BDEEHN
C#CCCNCc1cn(C)nc1C(C)(C)C	ZINC000127904116	583576633	/nfs/dbraw/zinc/57/66/33/583576633.db2.gz	KWIBISSAQCKZLI-UHFFFAOYSA-N	0	3	219.332	1.831	10	30		BDEEHN
C#CCCNCc1cc2c(c(OC)c1)OCO2	ZINC000134640669	591942975	/nfs/dbraw/zinc/94/29/75/591942975.db2.gz	HXWKYNQOVIHJNB-UHFFFAOYSA-N	0	3	233.267	1.537	10	30		BDEEHN
C=C(Br)CNC[C@@H](O)C(C)(C)C	ZINC000379331908	712374615	/nfs/dbraw/zinc/37/46/15/712374615.db2.gz	GKQTZOHBXCOVEA-MRVPVSSYSA-N	0	3	236.153	1.892	10	30		BDEEHN
CCCCCCCNC(=O)[C@H]1C[C@H](F)CN1	ZINC000707595135	712175472	/nfs/dbraw/zinc/17/54/72/712175472.db2.gz	PCJNYTYOFCZRLF-WDEREUQCSA-N	0	3	230.327	1.773	10	30		BDEEHN
Cc1cc(C)n(Cc2ccccc2C#CCN)n1	ZINC000049610094	177931127	/nfs/dbraw/zinc/93/11/27/177931127.db2.gz	KOVPKTNIZSZRDA-UHFFFAOYSA-N	0	3	239.322	1.858	10	30		BDEEHN
COc1ccnc(C2(C#N)CCNCC2)c1	ZINC000198943506	136221642	/nfs/dbraw/zinc/22/16/42/136221642.db2.gz	UMIDNOVOIDXWIG-UHFFFAOYSA-N	0	3	217.272	1.235	10	30		BDEEHN
C=CCN1CCCN(c2ccc(C)nn2)CC1	ZINC000105801459	136363564	/nfs/dbraw/zinc/36/35/64/136363564.db2.gz	PXOUQPCWGNLLOW-UHFFFAOYSA-N	0	3	232.331	1.483	10	30		BDEEHN
CC#CCN1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000088023382	343693673	/nfs/dbraw/zinc/69/36/73/343693673.db2.gz	BWEQNSLDTHGKRV-CHWSQXEVSA-N	0	3	207.317	1.637	10	30		BDEEHN
CN(C)Cc1ccc(C#CCCO)s1	ZINC000043679275	343698976	/nfs/dbraw/zinc/69/89/76/343698976.db2.gz	QMJXKLPNLQWYSS-UHFFFAOYSA-N	0	3	209.314	1.544	10	30		BDEEHN
O=CC1(CN2CCSCC2)CCCC1	ZINC000051176193	346975233	/nfs/dbraw/zinc/97/52/33/346975233.db2.gz	VBOLKCKWVXZJJT-UHFFFAOYSA-N	0	3	213.346	1.795	10	30		BDEEHN
C=C(C)C[C@@H](O)[C@H]1CSCCN1C	ZINC000234328641	343941550	/nfs/dbraw/zinc/94/15/50/343941550.db2.gz	GKWBLFUDOFNSJX-NXEZZACHSA-N	0	3	201.335	1.361	10	30		BDEEHN
C#CC[C@H](N)c1ccncc1Br	ZINC000307330731	343932610	/nfs/dbraw/zinc/93/26/10/343932610.db2.gz	OAAOQEDFLKPWSJ-VIFPVBQESA-N	0	3	225.089	1.867	10	30		BDEEHN
CCN1CCNC[C@H]1c1ccc(C#N)cc1	ZINC000139850210	343956304	/nfs/dbraw/zinc/95/63/04/343956304.db2.gz	HFTWJUFRJUIOLV-ZDUSSCGKSA-N	0	3	215.300	1.524	10	30		BDEEHN
CC#CCCNC1CN(C(=O)OC(C)(C)C)C1	ZINC000158352138	344612266	/nfs/dbraw/zinc/61/22/66/344612266.db2.gz	BPBYWYPSRQXIHQ-UHFFFAOYSA-N	0	3	238.331	1.609	10	30		BDEEHN
C=CCOCCN1C[C@H]2CCCCN2C[C@@H]1C	ZINC000310214799	344709864	/nfs/dbraw/zinc/70/98/64/344709864.db2.gz	HORBLJWLGCQLCD-UONOGXRCSA-N	0	3	238.375	1.748	10	30		BDEEHN
C=CCOCCN1C[C@@H]2CCCCN2C[C@H]1C	ZINC000310214798	344710029	/nfs/dbraw/zinc/71/00/29/344710029.db2.gz	HORBLJWLGCQLCD-KGLIPLIRSA-N	0	3	238.375	1.748	10	30		BDEEHN
N#Cc1cc(OC(F)(F)F)cc(CN)n1	ZINC000238675076	345106789	/nfs/dbraw/zinc/10/67/89/345106789.db2.gz	RQUXSXWIIPVKFY-UHFFFAOYSA-N	0	3	217.150	1.311	10	30		BDEEHN
CC#CCCN1CC[C@@H](Oc2cccnc2)C1	ZINC000156494578	345168243	/nfs/dbraw/zinc/16/82/43/345168243.db2.gz	XQUNHTCZHWWKCR-CQSZACIVSA-N	0	3	230.311	1.948	10	30		BDEEHN
C[C@@H]1OCC[C@@H]1CN[C@H]1CCC[C@@H]1C#N	ZINC000300383353	345809244	/nfs/dbraw/zinc/80/92/44/345809244.db2.gz	OWOUPIUTUHXUJH-QCNOEVLYSA-N	0	3	208.305	1.693	10	30		BDEEHN
C[C@H](O)CCCN[C@H]1CCCC[C@H]1C#N	ZINC000300370953	346530942	/nfs/dbraw/zinc/53/09/42/346530942.db2.gz	HSHWQCOAEMYCBO-SRVKXCTJSA-N	0	3	210.321	1.819	10	30		BDEEHN
C#CCN[C@@H]1CCCCCC[C@H]1C(=O)OC	ZINC000390496742	259390955	/nfs/dbraw/zinc/39/09/55/259390955.db2.gz	SGHBMOKTZYRJAL-VXGBXAGGSA-N	0	3	223.316	1.721	10	30		BDEEHN
Cn1cc(CCN[C@H]2CCCC[C@H]2C#N)cn1	ZINC000128314899	346779899	/nfs/dbraw/zinc/77/98/99/346779899.db2.gz	STRIRKJLYZRVDN-STQMWFEESA-N	0	3	232.331	1.635	10	30		BDEEHN
CC(C#N)C(=O)N[C@H](C)COCc1ccccc1	ZINC000345617059	365903202	/nfs/dbraw/zinc/90/32/02/365903202.db2.gz	YGXAXOCDRPFBDR-NWDGAFQWSA-N	0	3	246.310	1.868	10	30		BDEEHN
C[C@@H](CCC#N)N1CC[C@@H](N2CCOCC2)C1	ZINC000593014331	347844625	/nfs/dbraw/zinc/84/46/25/347844625.db2.gz	IPDPAXXBILPXPM-QWHCGFSZSA-N	0	3	237.347	1.085	10	30		BDEEHN
CC(C)N1CCc2nc(N)c(C#N)cc2C1	ZINC000725245426	538000835	/nfs/dbraw/zinc/00/08/35/538000835.db2.gz	HZZNDJAUVQABQO-UHFFFAOYSA-N	0	3	216.288	1.302	10	30		BDEEHN
C=CCCSCCNC(=O)[C@H](N)[C@@H](C)CC	ZINC000595940924	348410292	/nfs/dbraw/zinc/41/02/92/348410292.db2.gz	WHGSQCVXXLYXKY-WDEREUQCSA-N	0	3	244.404	1.785	10	30		BDEEHN
CC(=O)N1CCC(N[C@@H]2CCCC[C@@H]2C#N)CC1	ZINC000597198794	348674632	/nfs/dbraw/zinc/67/46/32/348674632.db2.gz	PUTLPCJYMUQOTO-TZMCWYRMSA-N	0	3	249.358	1.669	10	30		BDEEHN
N#Cc1cccc(CN)c1OC(F)(F)F	ZINC000616576339	349101466	/nfs/dbraw/zinc/10/14/66/349101466.db2.gz	QUTDPILRMDNWRN-UHFFFAOYSA-N	0	3	216.162	1.916	10	30		BDEEHN
N#Cc1cccc([C@H]2CCCN(CCO)C2)c1	ZINC000616609872	350807781	/nfs/dbraw/zinc/80/77/81/350807781.db2.gz	BRENVGLDMQYRQO-AWEZNQCLSA-N	0	3	230.311	1.730	10	30		BDEEHN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)NC	ZINC000309637386	323439202	/nfs/dbraw/zinc/43/92/02/323439202.db2.gz	JVMMWYWBYGRCRL-SNVBAGLBSA-N	0	3	238.356	1.871	10	30		BDEEHN
N#C[C@@H]1CCCC[C@H]1NCCC1(O)CCC1	ZINC000397668302	350959507	/nfs/dbraw/zinc/95/95/07/350959507.db2.gz	MIABMHDQBJOZTK-NWDGAFQWSA-N	0	3	222.332	1.963	10	30		BDEEHN
O=CC1(CN2CCSCC2)CCOCC1	ZINC000052179943	350960336	/nfs/dbraw/zinc/96/03/36/350960336.db2.gz	INVUWQRXIYAXAE-UHFFFAOYSA-N	0	3	229.345	1.031	10	30		BDEEHN
C=C(CS)CN1C[C@@H](C)N(C)[C@@H](C)C1	ZINC000231633371	350991144	/nfs/dbraw/zinc/99/11/44/350991144.db2.gz	WVKIGHQJOJTXDM-PHIMTYICSA-N	0	3	214.378	1.497	10	30		BDEEHN
C#C[C@H](C)Nc1cc(N)ncc1Br	ZINC000306838751	351149764	/nfs/dbraw/zinc/14/97/64/351149764.db2.gz	XQPBJKDZNQUKRS-LURJTMIESA-N	0	3	240.104	1.860	10	30		BDEEHN
CCN1CCNC[C@H]1c1cccc(C#N)c1	ZINC000616636681	351127613	/nfs/dbraw/zinc/12/76/13/351127613.db2.gz	GSIKVAKNLFOHDG-ZDUSSCGKSA-N	0	3	215.300	1.524	10	30		BDEEHN
CC(C)N1CCNC[C@H]1c1ccccc1C#N	ZINC000616637848	351135887	/nfs/dbraw/zinc/13/58/87/351135887.db2.gz	RHQDQAULQUYEIP-AWEZNQCLSA-N	0	3	229.327	1.913	10	30		BDEEHN
CCN1CCOC[C@H](c2ccccc2C#N)C1	ZINC000616659622	351208196	/nfs/dbraw/zinc/20/81/96/351208196.db2.gz	LRBDIJXTQFNURR-CYBMUJFWSA-N	0	3	230.311	1.994	10	30		BDEEHN
C=CCN[C@H](C)C(=O)N1CCCCCC1	ZINC000034937577	351352117	/nfs/dbraw/zinc/35/21/17/351352117.db2.gz	WTZQVSJBMWRPNP-LLVKDONJSA-N	0	3	210.321	1.553	10	30		BDEEHN
C(CN1CCO[C@H]2CCCC[C@H]21)[C@H]1CO1	ZINC000307021489	351429942	/nfs/dbraw/zinc/42/99/42/351429942.db2.gz	XCNPSEJSQAYHKH-TUAOUCFPSA-N	0	3	211.305	1.419	10	30		BDEEHN
CC(C#N)C(=O)c1cnn2ccncc12	ZINC000231902731	351452177	/nfs/dbraw/zinc/45/21/77/351452177.db2.gz	KMUFGIMVRYZTTI-ZETCQYMHSA-N	0	3	200.201	1.072	10	30		BDEEHN
C[C@H](CCC#N)N1CCN2CCCC[C@@H]2C1	ZINC000411397803	191181257	/nfs/dbraw/zinc/18/12/57/191181257.db2.gz	ZWUIYYZJDVSOQX-CHWSQXEVSA-N	0	3	221.348	1.849	10	30		BDEEHN
C=CCCC(=O)N1CCN2CCC[C@H]2C1	ZINC000171089977	188252148	/nfs/dbraw/zinc/25/21/48/188252148.db2.gz	RPIGEKWDRHYXIR-NSHDSACASA-N	0	3	208.305	1.259	10	30		BDEEHN
Cc1ccccc1CN(C)CC/C(N)=N/O	ZINC000019834085	188281694	/nfs/dbraw/zinc/28/16/94/188281694.db2.gz	GTPHHHGQCYGDBJ-UHFFFAOYSA-N	0	3	221.304	1.563	10	30		BDEEHN
CC(C)(N)C(=O)Nc1ccccc1C#N	ZINC000019672699	188281823	/nfs/dbraw/zinc/28/18/23/188281823.db2.gz	BPUUMQLFLHPWEK-UHFFFAOYSA-N	0	3	203.245	1.234	10	30		BDEEHN
C#CCNC[C@@H](O)c1ccc(Cl)cc1	ZINC000037859500	188326478	/nfs/dbraw/zinc/32/64/78/188326478.db2.gz	QNPUQROFSCXIBZ-LLVKDONJSA-N	0	3	209.676	1.596	10	30		BDEEHN
CC#CCCN1CCC[C@H](c2nncn2CC)C1	ZINC000155341651	188330204	/nfs/dbraw/zinc/33/02/04/188330204.db2.gz	XIWGAFABURCEPE-ZDUSSCGKSA-N	0	3	246.358	1.891	10	30		BDEEHN
N#CC(Cc1ccccc1)C(=O)NC1CC1	ZINC000044808793	181063952	/nfs/dbraw/zinc/06/39/52/181063952.db2.gz	SVFIOFXBJRTBKH-NSHDSACASA-N	0	3	214.268	1.647	10	30		BDEEHN
N#C[C@@H]1CCCC[C@H]1NCCN1CCCC1	ZINC000054830124	181059162	/nfs/dbraw/zinc/05/91/62/181059162.db2.gz	CYBQMYKIAADNHJ-QWHCGFSZSA-N	0	3	221.348	1.754	10	30		BDEEHN
N#Cc1c(F)cccc1NC(=O)[C@H]1CCCCN1	ZINC000036158261	181074468	/nfs/dbraw/zinc/07/44/68/181074468.db2.gz	YBAWQOFORWITNH-GFCCVEGCSA-N	0	3	247.273	1.778	10	30		BDEEHN
N#Cc1ccccc1CN[C@@H]1CCCC[C@H]1O	ZINC000052013043	181144975	/nfs/dbraw/zinc/14/49/75/181144975.db2.gz	GEMDYTPWSXRLDB-ZIAGYGMSSA-N	0	3	230.311	1.951	10	30		BDEEHN
N#Cc1ccccc1CN[C@H]1CCCC[C@H]1O	ZINC000052013045	181145282	/nfs/dbraw/zinc/14/52/82/181145282.db2.gz	GEMDYTPWSXRLDB-UONOGXRCSA-N	0	3	230.311	1.951	10	30		BDEEHN
N#Cc1ncccc1CNCC1CCOCC1	ZINC000104189134	181170621	/nfs/dbraw/zinc/17/06/21/181170621.db2.gz	JMMFLBWPCDPHKB-UHFFFAOYSA-N	0	3	231.299	1.469	10	30		BDEEHN
NC(=O)CN1CCC/C1=N/Cc1ccccc1	ZINC000017208417	181230359	/nfs/dbraw/zinc/23/03/59/181230359.db2.gz	IVTQAAOFIDMLKO-SQFISAMPSA-N	0	3	231.299	1.166	10	30		BDEEHN
NC(=O)c1ccc(CN2CCC[C@@H](C=O)C2)cc1	ZINC000054219156	181294211	/nfs/dbraw/zinc/29/42/11/181294211.db2.gz	DWVTVNFAVQRAJV-GFCCVEGCSA-N	0	3	246.310	1.196	10	30		BDEEHN
C=CCNC[C@H](O)[C@@H]1CCc2ccccc2O1	ZINC000584626616	358295718	/nfs/dbraw/zinc/29/57/18/358295718.db2.gz	VUNDEVOKFIWHHG-JSGCOSHPSA-N	0	3	233.311	1.517	10	30		BDEEHN
CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](C)C#N	ZINC000092630828	360186873	/nfs/dbraw/zinc/18/68/73/360186873.db2.gz	VFGYXVZVGGHJMC-WDEREUQCSA-N	0	3	223.320	1.089	10	30		BDEEHN
C[C@H](CS)CN1CCO[C@H](C)[C@@H]1C	ZINC000306557211	360430190	/nfs/dbraw/zinc/43/01/90/360430190.db2.gz	NOTASFJJNYPKQC-LPEHRKFASA-N	0	3	203.351	1.662	10	30		BDEEHN
N=C(N)Nc1nc2cc(Cl)c(Cl)cc2[nH]1	ZINC000013219331	181324631	/nfs/dbraw/zinc/32/46/31/181324631.db2.gz	XEBPUCFKEPJQFT-UHFFFAOYSA-N	0	3	244.085	1.775	10	30		BDEEHN
NCC#Cc1ccc(Cn2ccnc2)cc1	ZINC000049610070	181346259	/nfs/dbraw/zinc/34/62/59/181346259.db2.gz	WORNEELTLMPNIM-UHFFFAOYSA-N	0	3	211.268	1.242	10	30		BDEEHN
NCC#Cc1cc(F)ccc1C(=O)NC1CC1	ZINC000037569871	181346853	/nfs/dbraw/zinc/34/68/53/181346853.db2.gz	HUMAWXLKBBNVHZ-UHFFFAOYSA-N	0	3	232.258	1.028	10	30		BDEEHN
NCC#Cc1ccccc1COC1CCOCC1	ZINC000049611155	181346892	/nfs/dbraw/zinc/34/68/92/181346892.db2.gz	LADVOENYQWLBOF-UHFFFAOYSA-N	0	3	245.322	1.692	10	30		BDEEHN
NCC#Cc1ccc(C(=O)Nc2cnoc2)cc1	ZINC000061685829	181346556	/nfs/dbraw/zinc/34/65/56/181346556.db2.gz	LRYCPVSOJPDHLV-UHFFFAOYSA-N	0	3	241.250	1.237	10	30		BDEEHN
NCC#Cc1ccc(C(=O)NC2CCC2)cc1F	ZINC000052214101	181346564	/nfs/dbraw/zinc/34/65/64/181346564.db2.gz	OJHKFYPZXVPLCY-UHFFFAOYSA-N	0	3	246.285	1.418	10	30		BDEEHN
NCC#Cc1ccccc1NC(=O)c1ccoc1	ZINC000037550889	181347760	/nfs/dbraw/zinc/34/77/60/181347760.db2.gz	XCLKVYVQIFHVKT-UHFFFAOYSA-N	0	3	240.262	1.842	10	30		BDEEHN
NCC#Cc1ccccc1Cn1cccn1	ZINC000049610050	181348417	/nfs/dbraw/zinc/34/84/17/181348417.db2.gz	NBSUZEFTEVWJRI-UHFFFAOYSA-N	0	3	211.268	1.242	10	30		BDEEHN
CCC(O)(CC)CN1CCC(C#N)CC1	ZINC000165472979	203385414	/nfs/dbraw/zinc/38/54/14/203385414.db2.gz	JBLRFNIEJNTTTG-UHFFFAOYSA-N	0	3	210.321	1.773	10	30		BDEEHN
CC[C@H](C#N)C(=O)N1C[C@H]2CCCN2C[C@H]1C	ZINC000251196262	369730136	/nfs/dbraw/zinc/73/01/36/369730136.db2.gz	DXQRNGCPKAAAKZ-IJLUTSLNSA-N	0	3	235.331	1.231	10	30		BDEEHN
N#C[C@H]1CCCC[C@H]1NCC1(O)CCC1	ZINC000131169117	371309472	/nfs/dbraw/zinc/30/94/72/371309472.db2.gz	DEACEBKBKFAZGB-GHMZBOCLSA-N	0	3	208.305	1.573	10	30		BDEEHN
CC1(C)CN(CCS)CC(C)(C)O1	ZINC000226453688	371671512	/nfs/dbraw/zinc/67/15/12/371671512.db2.gz	GELRKVVKQSRJJG-UHFFFAOYSA-N	0	3	203.351	1.806	10	30		BDEEHN
C#C[C@H](NCC)[C@@H]1SCCS[C@@H]1C	ZINC000228132665	371995174	/nfs/dbraw/zinc/99/51/74/371995174.db2.gz	SBVQWBUELQYHOE-KXUCPTDWSA-N	0	3	215.387	1.835	10	30		BDEEHN
OCC#Cc1ccc(CN2CCCC2)c(F)c1	ZINC000049615593	183032037	/nfs/dbraw/zinc/03/20/37/183032037.db2.gz	NCIVRFUCHAKSOD-UHFFFAOYSA-N	0	3	233.286	1.765	10	30		BDEEHN
Oc1ccc2c(c1)[C@H](CCS)NCC2	ZINC000083663913	183281076	/nfs/dbraw/zinc/28/10/76/183281076.db2.gz	JBGXMXMGMBZWIJ-NSHDSACASA-N	0	3	209.314	1.899	10	30		BDEEHN
CCC[C@H](N)C(=O)N(C)Cc1ccc(C#N)cc1	ZINC000037808421	169500042	/nfs/dbraw/zinc/50/00/42/169500042.db2.gz	OWOMXDJMWPUVDJ-ZDUSSCGKSA-N	0	3	245.326	1.644	10	30		BDEEHN
C#CCC(C)(C)C(=O)N1CCN2CCC[C@H]2C1	ZINC000185519200	532990613	/nfs/dbraw/zinc/99/06/13/532990613.db2.gz	GVLFUVYILVZUKR-LBPRGKRZSA-N	0	3	234.343	1.343	10	30		BDEEHN
CC(C)(C)OC(=O)[C@H](C=O)[C@@H](N)C(C)(C)C	ZINC000091368764	384123000	/nfs/dbraw/zinc/12/30/00/384123000.db2.gz	SQPCRWIJGQALTK-RKDXNWHRSA-N	0	3	229.320	1.517	10	30		BDEEHN
Cc1ccnc(C2(C#N)CCNCC2)c1	ZINC000082913059	384728075	/nfs/dbraw/zinc/72/80/75/384728075.db2.gz	UFFKLCLLBHOJSZ-UHFFFAOYSA-N	0	3	201.273	1.535	10	30		BDEEHN
COCC(C)(C)CN[C@@H]1CCC[C@@H]1C#N	ZINC000309088908	385412799	/nfs/dbraw/zinc/41/27/99/385412799.db2.gz	CQIXBTCHFTYFMZ-GHMZBOCLSA-N	0	3	210.321	1.941	10	30		BDEEHN
C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCC[C@H]1C#N	ZINC000408337251	386127078	/nfs/dbraw/zinc/12/70/78/386127078.db2.gz	FNNLNAHHHIETJI-QNWHQSFQSA-N	0	3	249.358	1.668	10	30		BDEEHN
C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CCC[C@@H]1C#N	ZINC000408337254	386127748	/nfs/dbraw/zinc/12/77/48/386127748.db2.gz	FNNLNAHHHIETJI-XQHKEYJVSA-N	0	3	249.358	1.668	10	30		BDEEHN
CC(C)[C@@H](C(=O)N[C@H]1CCC[C@H]1C#N)N(C)C	ZINC000408368408	386394722	/nfs/dbraw/zinc/39/47/22/386394722.db2.gz	HVHUOKFVPWXTRP-SRVKXCTJSA-N	0	3	237.347	1.381	10	30		BDEEHN
C=CCN[C@@H](C)c1ccc(S(C)(=O)=O)cc1	ZINC000019875964	386783320	/nfs/dbraw/zinc/78/33/20/386783320.db2.gz	RZTGMTPHUZNJJG-JTQLQIEISA-N	0	3	239.340	1.927	10	30		BDEEHN
CO[C@H]1CCN[C@@H](c2ccc(C#N)cc2)C1	ZINC000584599244	387501348	/nfs/dbraw/zinc/50/13/48/387501348.db2.gz	ZYMQGXCPVOYSLS-QWHCGFSZSA-N	0	3	216.284	1.998	10	30		BDEEHN
CCC[C@@H]1C[C@@H]1NC(=O)[C@@H](N)CCCC#N	ZINC000424121355	387582948	/nfs/dbraw/zinc/58/29/48/387582948.db2.gz	IJNLCKGGAHYOGF-VWYCJHECSA-N	0	3	223.320	1.312	10	30		BDEEHN
C[C@@H](NC(=O)[C@H](N)CCCC#N)C1CCCC1	ZINC000424134047	387638704	/nfs/dbraw/zinc/63/87/04/387638704.db2.gz	HLJQVIWQOPCHHB-ZYHUDNBSSA-N	0	3	237.347	1.702	10	30		BDEEHN
C=C(C)CN(C)C[C@@H](O)COCCCC	ZINC000195215574	388145441	/nfs/dbraw/zinc/14/54/41/388145441.db2.gz	WTVYSEDVLQOYHF-GFCCVEGCSA-N	0	3	215.337	1.672	10	30		BDEEHN
N#C[C@H]1CCC[C@H]1NC(=O)C12CCCN1CCC2	ZINC000336450708	134147576	/nfs/dbraw/zinc/14/75/76/134147576.db2.gz	GURNTVDTPSGKJP-VXGBXAGGSA-N	0	3	247.342	1.423	10	30		BDEEHN
C[C@H](C#N)NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C	ZINC000361496192	134205797	/nfs/dbraw/zinc/20/57/97/134205797.db2.gz	STWXSYFEEQIXHQ-RCWTZXSCSA-N	0	3	223.320	1.276	10	30		BDEEHN
C=C(C)CN1C[C@H](N2CCOCC2)[C@@H](C)C1	ZINC000177223094	134296274	/nfs/dbraw/zinc/29/62/74/134296274.db2.gz	TYPLBJMMKPVTOO-STQMWFEESA-N	0	3	224.348	1.215	10	30		BDEEHN
C=CCN(CC=C)C(=O)[C@H](CCC)N(C)C	ZINC000179992717	134325431	/nfs/dbraw/zinc/32/54/31/134325431.db2.gz	ABSSATSBKLFQJI-LBPRGKRZSA-N	0	3	224.348	1.917	10	30		BDEEHN
CCN(C[C@H](C)C#N)[C@H]1CCCC[C@@H]1O	ZINC000226243034	134362277	/nfs/dbraw/zinc/36/22/77/134362277.db2.gz	FVZSNAWFYZXNSC-WOPDTQHZSA-N	0	3	210.321	1.771	10	30		BDEEHN
CC[C@H](C)CN1CCCC[C@@H]1/C(N)=N/O	ZINC000070662788	135007135	/nfs/dbraw/zinc/00/71/35/135007135.db2.gz	FOZNJJIBVRUHGM-VHSXEESVSA-N	0	3	213.325	1.633	10	30		BDEEHN
C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2C#N)CCO1	ZINC000251719867	135075315	/nfs/dbraw/zinc/07/53/15/135075315.db2.gz	BYUXQIRWYPVZJZ-KKOKHZNYSA-N	0	3	208.305	1.836	10	30		BDEEHN
N#Cc1csc(CNC[C@H]2CCC[C@H]2O)c1	ZINC000086500353	135088327	/nfs/dbraw/zinc/08/83/27/135088327.db2.gz	UTLHHGDOVUQVNS-ZYHUDNBSSA-N	0	3	236.340	1.870	10	30		BDEEHN
CC(C#N)C(=O)N1C[C@@H]2CCCCN2C[C@H]1C	ZINC000252661903	135093864	/nfs/dbraw/zinc/09/38/64/135093864.db2.gz	RFKVDGSQQIZBDZ-UTUOFQBUSA-N	0	3	235.331	1.231	10	30		BDEEHN
N#CC1(CN2CCN3CCC[C@H]3C2)CCC1	ZINC000259147758	135137816	/nfs/dbraw/zinc/13/78/16/135137816.db2.gz	JCEGYNMGTVCFEV-LBPRGKRZSA-N	0	3	219.332	1.460	10	30		BDEEHN
CC[C@H](C(=O)N[C@H]1CCC[C@H]1C#N)N(C)C	ZINC000407988023	397801777	/nfs/dbraw/zinc/80/17/77/397801777.db2.gz	BNYNITOWXIHFJT-GARJFASQSA-N	0	3	223.320	1.135	10	30		BDEEHN
CC(C)NC(=O)c1ccc(C#CCN)cc1	ZINC000037473208	167088948	/nfs/dbraw/zinc/08/89/48/167088948.db2.gz	QACHKUDZNSNRRO-UHFFFAOYSA-N	0	3	216.284	1.135	10	30		BDEEHN
C#CCNCCN1CCc2sccc2C1	ZINC000053344032	166187513	/nfs/dbraw/zinc/18/75/13/166187513.db2.gz	IFSPSRDEZQWDII-UHFFFAOYSA-N	0	3	220.341	1.329	10	30		BDEEHN
C#CCNC[C@@H](C)N(C)Cc1ccccc1F	ZINC000053497026	166187699	/nfs/dbraw/zinc/18/76/99/166187699.db2.gz	IEVYKHCWUVKIOM-GFCCVEGCSA-N	0	3	234.318	1.869	10	30		BDEEHN
C#Cc1cccc(NC(=O)[C@@H](N)CCC)c1	ZINC000036873008	166222562	/nfs/dbraw/zinc/22/25/62/166222562.db2.gz	UYIGOLVMTAAQLV-LBPRGKRZSA-N	0	3	216.284	1.734	10	30		BDEEHN
C#Cc1cccc(NC(=O)[C@H](N)C(C)C)c1	ZINC000019507307	166222955	/nfs/dbraw/zinc/22/29/55/166222955.db2.gz	OUBZMUBVDNSLAB-GFCCVEGCSA-N	0	3	216.284	1.590	10	30		BDEEHN
C=CCNCCC(=O)c1ccc(F)c(N)c1	ZINC000098124733	166398289	/nfs/dbraw/zinc/39/82/89/166398289.db2.gz	LFFKBFHSAXADGG-UHFFFAOYSA-N	0	3	222.263	1.756	10	30		BDEEHN
CC(C)NCC(=O)Nc1ccc(CC#N)cc1	ZINC000037388953	167096844	/nfs/dbraw/zinc/09/68/44/167096844.db2.gz	XJWZLSFMQSPFCP-UHFFFAOYSA-N	0	3	231.299	1.689	10	30		BDEEHN
CCN1CC[C@@H](NC(=O)c2ccc(C#N)cc2)C1	ZINC000334581070	170013204	/nfs/dbraw/zinc/01/32/04/170013204.db2.gz	VWEIDGVNSHDHHD-CYBMUJFWSA-N	0	3	243.310	1.382	10	30		BDEEHN
CCN1CC[C@H](NC(=O)c2cccc(C#N)c2)C1	ZINC000334578401	170020831	/nfs/dbraw/zinc/02/08/31/170020831.db2.gz	JFNWPJHGHDCYPY-ZDUSSCGKSA-N	0	3	243.310	1.382	10	30		BDEEHN
CCOC(=O)C(=O)C(C#N)c1ccccc1OC	ZINC000041298803	170184131	/nfs/dbraw/zinc/18/41/31/170184131.db2.gz	KPWSBGMEXLMWFC-SNVBAGLBSA-N	0	3	247.250	1.435	10	30		BDEEHN
CCOC(=O)NCc1ccc(C#CCN)cc1	ZINC000049587484	170242337	/nfs/dbraw/zinc/24/23/37/170242337.db2.gz	LEEDIAWUNXMLKC-UHFFFAOYSA-N	0	3	232.283	1.243	10	30		BDEEHN
CC[C@@H]1CSC(N[C@@H]2CCN(C)C2)=N1	ZINC000042548578	171114675	/nfs/dbraw/zinc/11/46/75/171114675.db2.gz	XLNQJDRMYBASOH-RKDXNWHRSA-N	0	3	213.350	1.162	10	30		BDEEHN
CNCC(=O)Nc1cccc(OCCCC#N)c1	ZINC000037767222	173334806	/nfs/dbraw/zinc/33/48/06/173334806.db2.gz	LIECPVRUEATLBN-UHFFFAOYSA-N	0	3	247.298	1.527	10	30		BDEEHN
COC1CCN(CC[C@@H](C#N)NC2CC2)CC1	ZINC000062434647	174028066	/nfs/dbraw/zinc/02/80/66/174028066.db2.gz	DBJLYSIMVBIQIQ-LBPRGKRZSA-N	0	3	237.347	1.131	10	30		BDEEHN
COCCCOCc1cccc(C#CCN)c1	ZINC000049610302	174255018	/nfs/dbraw/zinc/25/50/18/174255018.db2.gz	BCHJKYIKNXCBMA-UHFFFAOYSA-N	0	3	233.311	1.550	10	30		BDEEHN
C[C@@H]1CCCN1C(=O)c1cncc(C#CCN)c1	ZINC000049629560	176106989	/nfs/dbraw/zinc/10/69/89/176106989.db2.gz	BUPSJRFCODIWCR-LLVKDONJSA-N	0	3	243.310	1.016	10	30		BDEEHN
C[C@H](S)[C@@H]1NCCc2ccc(N)cc21	ZINC000075752002	177026297	/nfs/dbraw/zinc/02/62/97/177026297.db2.gz	JAEUJKOIFWFDGX-CPCISQLKSA-N	0	3	208.330	1.774	10	30		BDEEHN
C[C@H]1NC(=O)CC[C@H]1NCc1cccc(C#N)c1	ZINC000282233982	177394086	/nfs/dbraw/zinc/39/40/86/177394086.db2.gz	FSFZIXUJQJOAGP-ZWNOBZJWSA-N	0	3	243.310	1.315	10	30		BDEEHN
COC[C@H](C)NCC#Cc1ccc(F)cc1	ZINC000309467049	487971208	/nfs/dbraw/zinc/97/12/08/487971208.db2.gz	PRHOCFJEFYOPFO-NSHDSACASA-N	0	3	221.275	1.802	10	30		BDEEHN
C[C@@H](NCc1ccnc(C#N)c1)[C@@H]1CCCO1	ZINC000068752483	488128901	/nfs/dbraw/zinc/12/89/01/488128901.db2.gz	AKBBZGSXXFWADN-MFKMUULPSA-N	0	3	231.299	1.610	10	30		BDEEHN
C=CCOCCCC(=O)N1CC[C@H](N(C)C)C1	ZINC000173763401	534872209	/nfs/dbraw/zinc/87/22/09/534872209.db2.gz	IIUMEDNPPGVLMT-LBPRGKRZSA-N	0	3	240.347	1.132	10	30		BDEEHN
COC[C@H](C)C(=O)C(C#N)c1nc(C)cs1	ZINC000103635562	586169157	/nfs/dbraw/zinc/16/91/57/586169157.db2.gz	NCQWXFUTTZEROG-CBAPKCEASA-N	0	3	238.312	1.910	10	30		BDEEHN
C[C@@H]1CC[C@@H](C(=O)C(C#N)c2ccccn2)O1	ZINC000121504871	587952084	/nfs/dbraw/zinc/95/20/84/587952084.db2.gz	IAJBQRCOFSVTJD-SCVCMEIPSA-N	0	3	230.267	1.825	10	30		BDEEHN
C#CCOCCN[C@H](C)c1cncc(F)c1	ZINC000309367922	633904457	/nfs/dbraw/zinc/90/44/57/633904457.db2.gz	BMVVOWDBIXEWNZ-SNVBAGLBSA-N	0	3	222.263	1.521	10	30		BDEEHN
N#C[C@@H]1CCCC[C@H]1NC1CCS(=O)CC1	ZINC000229193625	640931272	/nfs/dbraw/zinc/93/12/72/640931272.db2.gz	HVANLRAOYVGZMC-BYHRKAOISA-N	0	3	240.372	1.569	10	30		BDEEHN
C=CCC[C@H](C)N[C@H](C)c1cn(C)nn1	ZINC000720577542	712853916	/nfs/dbraw/zinc/85/39/16/712853916.db2.gz	VOJUERKBNCQIDA-VHSXEESVSA-N	0	3	208.309	1.820	10	30		BDEEHN
N#Cc1cncc(CN2CCC[C@H]2CCCO)c1	ZINC000721547227	711622356	/nfs/dbraw/zinc/62/23/56/711622356.db2.gz	YCNYLXJLNTZFSJ-AWEZNQCLSA-N	0	3	245.326	1.690	10	30		BDEEHN
C#CCNC(=O)[C@H](C)N[C@H](C)c1cccs1	ZINC000035206926	712285208	/nfs/dbraw/zinc/28/52/08/712285208.db2.gz	HMBAIKSSDXZAQZ-ZJUUUORDSA-N	0	3	236.340	1.537	10	30		BDEEHN
C#CCCCCCN[C@@H](C)c1cn(C)nn1	ZINC000720609222	712858651	/nfs/dbraw/zinc/85/86/51/712858651.db2.gz	GNDYARYGGMBREQ-NSHDSACASA-N	0	3	220.320	1.659	10	30		BDEEHN
C[C@](C#N)(Cc1ccccc1)N1CC(N)C1	ZINC000409438102	343849700	/nfs/dbraw/zinc/84/97/00/343849700.db2.gz	CBNAMEYRILVJKD-CYBMUJFWSA-N	0	3	215.300	1.154	10	30		BDEEHN
N#C[C@H](c1ccccc1F)N1CC(N)C1	ZINC000409442565	343859007	/nfs/dbraw/zinc/85/90/07/343859007.db2.gz	XBVOGWHUPFBICL-LLVKDONJSA-N	0	3	205.236	1.033	10	30		BDEEHN
COC1CC(N[C@@H]2CCCC[C@H]2C#N)C1	ZINC000234735502	344238086	/nfs/dbraw/zinc/23/80/86/344238086.db2.gz	RXJBHUNCNHPGLD-WNYYMSAVSA-N	0	3	208.305	1.836	10	30		BDEEHN
CC#CCN[C@@H]1CCCC[C@H]1n1cccn1	ZINC000127914150	344202873	/nfs/dbraw/zinc/20/28/73/344202873.db2.gz	VVHHGTXVZJFCNT-CHWSQXEVSA-N	0	3	217.316	1.980	10	30		BDEEHN
N#Cc1cncc(CN)c1OC(F)(F)F	ZINC000238570885	345080365	/nfs/dbraw/zinc/08/03/65/345080365.db2.gz	CSYJLNSXZPKDRF-UHFFFAOYSA-N	0	3	217.150	1.311	10	30		BDEEHN
N#Cc1sc(N2CCNCC2)nc1Cl	ZINC000236072483	346189216	/nfs/dbraw/zinc/18/92/16/346189216.db2.gz	AKYLWIWMGIACPN-UHFFFAOYSA-N	0	3	228.708	1.078	10	30		BDEEHN
Cc1cccc(NC(N)=NN)c1Br	ZINC000164600547	346611592	/nfs/dbraw/zinc/61/15/92/346611592.db2.gz	ZZDAPQNMFQWZRA-UHFFFAOYSA-N	0	3	243.108	1.358	10	30		BDEEHN
CNC(=NN)Nc1cc(Cl)cc(Cl)c1	ZINC000164620487	346612888	/nfs/dbraw/zinc/61/28/88/346612888.db2.gz	DZAGVPDUKQVHQW-UHFFFAOYSA-N	0	3	233.102	1.854	10	30		BDEEHN
CC(C#N)S(=O)(=O)CC1CCCC1	ZINC000062836345	347170399	/nfs/dbraw/zinc/17/03/99/347170399.db2.gz	IZNJRXLANLYKRE-QMMMGPOBSA-N	0	3	201.291	1.503	10	30		BDEEHN
CC(C#N)S(=O)(=O)CC1CCCC1	ZINC000062836346	347170549	/nfs/dbraw/zinc/17/05/49/347170549.db2.gz	IZNJRXLANLYKRE-MRVPVSSYSA-N	0	3	201.291	1.503	10	30		BDEEHN
CCC[C@H](O)CN[C@H]1CCCC[C@H]1C#N	ZINC000253011327	347870227	/nfs/dbraw/zinc/87/02/27/347870227.db2.gz	CIIPMDOWIZICCM-SRVKXCTJSA-N	0	3	210.321	1.819	10	30		BDEEHN
C=CCCSCCNC(=O)[C@H](N)[C@H](C)CC	ZINC000595940921	348410036	/nfs/dbraw/zinc/41/00/36/348410036.db2.gz	WHGSQCVXXLYXKY-GHMZBOCLSA-N	0	3	244.404	1.785	10	30		BDEEHN
CC(C)C[C@@H](N)C(=O)N1CC[C@](C)(C#N)C1	ZINC000595981405	348416810	/nfs/dbraw/zinc/41/68/10/348416810.db2.gz	OLZHXHRPZQHWRQ-ZYHUDNBSSA-N	0	3	223.320	1.122	10	30		BDEEHN
CCc1ccnc(C2(C#N)CCNCC2)c1	ZINC000198943433	349044452	/nfs/dbraw/zinc/04/44/52/349044452.db2.gz	ADCLSFDXESLMSK-UHFFFAOYSA-N	0	3	215.300	1.789	10	30		BDEEHN
Nc1ccncc1/C(=N\O)c1ccccc1	ZINC000033317453	350441863	/nfs/dbraw/zinc/44/18/63/350441863.db2.gz	PPFBNKWEGZCLQJ-QINSGFPZSA-N	0	3	213.240	1.890	10	30		BDEEHN
C=C(CS)CN1CC[C@H](C)[C@@H](O)C1	ZINC000231633454	350990485	/nfs/dbraw/zinc/99/04/85/350990485.db2.gz	MPIRDIGPLDCQDE-UWVGGRQHSA-N	0	3	201.335	1.175	10	30		BDEEHN
C=CC(C)(C)CCNC(=O)[C@H](N)CCC	ZINC000638455024	352264945	/nfs/dbraw/zinc/26/49/45/352264945.db2.gz	PBKQHSMATCSBCZ-SNVBAGLBSA-N	0	3	212.337	1.832	10	30		BDEEHN
CN(CC=O)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000307677868	352756067	/nfs/dbraw/zinc/75/60/67/352756067.db2.gz	MRNRPSCQDKKGMV-CQSZACIVSA-N	0	3	232.327	1.392	10	30		BDEEHN
CC#CCN1C[C@@H]2CCCCN2C[C@H]1CC	ZINC000253196979	538105313	/nfs/dbraw/zinc/10/53/13/538105313.db2.gz	UGOZCXCRYLHKNY-KGLIPLIRSA-N	0	3	220.360	1.958	10	30		BDEEHN
C=CCCCNCc1ccnc(N(C)C)n1	ZINC000336752024	353068788	/nfs/dbraw/zinc/06/87/88/353068788.db2.gz	DCZWZKJINMNUOX-UHFFFAOYSA-N	0	3	220.320	1.598	10	30		BDEEHN
C#CCNCc1ccc(-n2ccnc2)cc1	ZINC000034992267	188233561	/nfs/dbraw/zinc/23/35/61/188233561.db2.gz	PVPCYRGNGMXNEN-UHFFFAOYSA-N	0	3	211.268	1.595	10	30		BDEEHN
C=CCNC[C@H](O)COc1ccc(C)cc1C	ZINC000033465469	188233845	/nfs/dbraw/zinc/23/38/45/188233845.db2.gz	UXLDQZQSIFHJLG-ZDUSSCGKSA-N	0	3	235.327	1.819	10	30		BDEEHN
C#CCNCc1ccc(OC)c(OC)c1	ZINC000019875345	188243069	/nfs/dbraw/zinc/24/30/69/188243069.db2.gz	WJCUAMGCBBFNLB-UHFFFAOYSA-N	0	3	205.257	1.427	10	30		BDEEHN
C#CC[C@H](N)C(=O)NCc1cccc(OCC)c1	ZINC000083375290	188270154	/nfs/dbraw/zinc/27/01/54/188270154.db2.gz	PEAWXBYETIOCMJ-ZDUSSCGKSA-N	0	3	246.310	1.052	10	30		BDEEHN
C=CC[C@H](N)C(=O)NCC1CCCCC1	ZINC000083346368	188270643	/nfs/dbraw/zinc/27/06/43/188270643.db2.gz	OWLNKNSRUHYAMR-NSHDSACASA-N	0	3	210.321	1.586	10	30		BDEEHN
CNCc1cnn(-c2cccc(C#N)c2)c1C	ZINC000042355878	188293864	/nfs/dbraw/zinc/29/38/64/188293864.db2.gz	LTLUFCCWBWOAMH-UHFFFAOYSA-N	0	3	226.283	1.772	10	30		BDEEHN
CCCCCCCN(CCCO)C(=O)[C@@H](C)N	ZINC000103047234	188323944	/nfs/dbraw/zinc/32/39/44/188323944.db2.gz	XVTIFTGIEXLRSI-GFCCVEGCSA-N	0	3	244.379	1.515	10	30		BDEEHN
CC#CCCN1CCC[C@@H](n2cncn2)C1	ZINC000155559092	188330421	/nfs/dbraw/zinc/33/04/21/188330421.db2.gz	FHHOBUFGZLPJQE-GFCCVEGCSA-N	0	3	218.304	1.328	10	30		BDEEHN
C=C(C)[C@@H](NC)[C@@H]1CCCCS1(=O)=O	ZINC000131399217	353368225	/nfs/dbraw/zinc/36/82/25/353368225.db2.gz	SSYDSXKDPVQIAK-VHSXEESVSA-N	0	3	217.334	1.118	10	30		BDEEHN
CC#CNC[C@@H]1CCc2[nH]c(C)c(C)c2C1=O	ZINC000045809473	188397838	/nfs/dbraw/zinc/39/78/38/188397838.db2.gz	YCYWZYAZEIWEKZ-NSHDSACASA-N	0	3	230.311	1.947	10	30		BDEEHN
COc1ccc(CN2CCCC2)cc1C#CCO	ZINC000049615591	188399844	/nfs/dbraw/zinc/39/98/44/188399844.db2.gz	SRQUFZQZIPQOOT-UHFFFAOYSA-N	0	3	245.322	1.635	10	30		BDEEHN
N#CCN(CC#N)[C@H](CN)c1ccccc1F	ZINC000043042751	181040267	/nfs/dbraw/zinc/04/02/67/181040267.db2.gz	KNSAWEKXVRFICD-GFCCVEGCSA-N	0	3	232.262	1.175	10	30		BDEEHN
N#CC(C(=O)c1ccncc1)c1ccccn1	ZINC000078316950	181054120	/nfs/dbraw/zinc/05/41/20/181054120.db2.gz	BXOBYHXXVKJVIJ-LLVKDONJSA-N	0	3	223.235	1.967	10	30		BDEEHN
N#C[C@H]1CCCCC[C@@H]1NCCn1ccnc1	ZINC000054826394	181067437	/nfs/dbraw/zinc/06/74/37/181067437.db2.gz	FKAKIDWNNNNBFB-OLZOCXBDSA-N	0	3	232.331	1.945	10	30		BDEEHN
N#C[C@H]1CCCC[C@@H]1NC1(CO)CCCC1	ZINC000054829838	181067695	/nfs/dbraw/zinc/06/76/95/181067695.db2.gz	VIMWZNLEPBOGQE-NEPJUHHUSA-N	0	3	222.332	1.963	10	30		BDEEHN
N#Cc1cc(N)cnc1NCCN1CCCCC1	ZINC000049574744	181088965	/nfs/dbraw/zinc/08/89/65/181088965.db2.gz	UELNJZRUELUAOH-UHFFFAOYSA-N	0	3	245.330	1.433	10	30		BDEEHN
N#Cc1ccc(CN[C@@H]2CCC[C@@H]2O)o1	ZINC000164612265	181109639	/nfs/dbraw/zinc/10/96/39/181109639.db2.gz	BEHLFSKAGAOVJG-MNOVXSKESA-N	0	3	206.245	1.154	10	30		BDEEHN
N#Cc1ccc(Cl)cc1NC(=O)CNC1CC1	ZINC000037386665	181111820	/nfs/dbraw/zinc/11/18/20/181111820.db2.gz	ROUODOYUOWBICM-UHFFFAOYSA-N	0	3	249.701	1.902	10	30		BDEEHN
N#Cc1ccc(N[C@@H]2CN3CCC2CC3)c(N)c1	ZINC000035674396	181125758	/nfs/dbraw/zinc/12/57/58/181125758.db2.gz	QCAFTZSYQXJRLS-CQSZACIVSA-N	0	3	242.326	1.647	10	30		BDEEHN
N#Cc1ncccc1CN[C@H]1CCN2CCC[C@H]12	ZINC000061658456	181170504	/nfs/dbraw/zinc/17/05/04/181170504.db2.gz	LRRHAENRYJBMBP-GXTWGEPZSA-N	0	3	242.326	1.280	10	30		BDEEHN
[NH2+]=C(C[S-])NCC=Cc1ccccc1	ZINC000147263488	181183781	/nfs/dbraw/zinc/18/37/81/181183781.db2.gz	WPBVYGZMDVECTQ-QPJJXVBHSA-N	0	3	206.314	1.987	10	30		BDEEHN
C[C@@H]1CN(C/C=C\CS)C[C@@H](C)N1C	ZINC000308387591	355397284	/nfs/dbraw/zinc/39/72/84/355397284.db2.gz	PQCDGQCHIGNTRO-WQMVXFAESA-N	0	3	214.378	1.497	10	30		BDEEHN
CCC[C@@H](N)C(=O)Nc1cccc(C#N)c1	ZINC000223762080	357050977	/nfs/dbraw/zinc/05/09/77/357050977.db2.gz	FBFNBOZJZSVZOH-LLVKDONJSA-N	0	3	217.272	1.624	10	30		BDEEHN
C=CCOCCN1CCN2CCCC[C@H]2C1	ZINC000304213890	134236739	/nfs/dbraw/zinc/23/67/39/134236739.db2.gz	FUKKVXZCENGRLU-ZDUSSCGKSA-N	0	3	224.348	1.359	10	30		BDEEHN
C#C[C@]1(OC)CCN(Cc2ccccc2)C1	ZINC000584648327	358302811	/nfs/dbraw/zinc/30/28/11/358302811.db2.gz	FSHKUVZJVKYAEP-AWEZNQCLSA-N	0	3	215.296	1.911	10	30		BDEEHN
C[C@@H](NCc1cn(CC#N)nn1)C1CCC1	ZINC000584617076	358282013	/nfs/dbraw/zinc/28/20/13/358282013.db2.gz	GMOGLNMRBSHOCZ-SECBINFHSA-N	0	3	219.292	1.080	10	30		BDEEHN
CN1CCCC[C@@H]1COc1cc(N)ncc1C#N	ZINC000584633287	358316881	/nfs/dbraw/zinc/31/68/81/358316881.db2.gz	ZFBJSCXCNUSANI-LLVKDONJSA-N	0	3	246.314	1.229	10	30		BDEEHN
C=C[C@@](C)(CC)C(=O)N1CC[C@H](N(C)C)C1	ZINC000135017228	358816280	/nfs/dbraw/zinc/81/62/80/358816280.db2.gz	QRFVDQFPALHICI-AAEUAGOBSA-N	0	3	224.348	1.751	10	30		BDEEHN
CCN1CCC[C@@H]1CN(C)C(=O)C(C)(C)C#N	ZINC000092630786	360186196	/nfs/dbraw/zinc/18/61/96/360186196.db2.gz	GBQMWJGJAONTHA-LLVKDONJSA-N	0	3	237.347	1.479	10	30		BDEEHN
N=C(N)NN=Cc1ccc2ccccc2c1	ZINC000006584476	181322547	/nfs/dbraw/zinc/32/25/47/181322547.db2.gz	BMWOBKCWJKMUAZ-OVCLIPMQSA-N	0	3	212.256	1.447	10	30		BDEEHN
CC#CCCN1CCN(CCOC)[C@@H](CC)C1	ZINC000155463931	201334594	/nfs/dbraw/zinc/33/45/94/201334594.db2.gz	KCMTUVSBHXJYBM-AWEZNQCLSA-N	0	3	238.375	1.442	10	30		BDEEHN
NCC#Cc1cccc(COC[C@@H]2CCOC2)c1	ZINC000049691110	181346207	/nfs/dbraw/zinc/34/62/07/181346207.db2.gz	LXZQAVHCTHHCPY-OAHLLOKOSA-N	0	3	245.322	1.550	10	30		BDEEHN
NCC#Cc1cc(F)ccc1OC[C@@H]1CCOC1	ZINC000049689776	181345619	/nfs/dbraw/zinc/34/56/19/181345619.db2.gz	MTILMFNIJZRAOM-LLVKDONJSA-N	0	3	249.285	1.551	10	30		BDEEHN
NCC#Cc1cc(Cn2ccnc2)ccc1F	ZINC000049610077	181345682	/nfs/dbraw/zinc/34/56/82/181345682.db2.gz	UCGCDVNTLCQDJB-UHFFFAOYSA-N	0	3	229.258	1.381	10	30		BDEEHN
NCC#Cc1cc(F)ccc1CN1CCOC1=O	ZINC000049610127	181346720	/nfs/dbraw/zinc/34/67/20/181346720.db2.gz	XFKZXCATCUWNDH-UHFFFAOYSA-N	0	3	248.257	1.088	10	30		BDEEHN
NCC#Cc1cc(F)ccc1NC(=O)NC1CC1	ZINC000054457903	181346924	/nfs/dbraw/zinc/34/69/24/181346924.db2.gz	FZESMEYMDCNCTD-UHFFFAOYSA-N	0	3	247.273	1.420	10	30		BDEEHN
NCC#Cc1ccc(Br)cc1	ZINC000082641204	181346460	/nfs/dbraw/zinc/34/64/60/181346460.db2.gz	RILNDOLMVPZNPW-UHFFFAOYSA-N	0	3	210.074	1.759	10	30		BDEEHN
NCC#Cc1ccc(COC[C@@H]2CCOC2)cc1	ZINC000049691100	181346623	/nfs/dbraw/zinc/34/66/23/181346623.db2.gz	XPYQLHGPJCYJGZ-OAHLLOKOSA-N	0	3	245.322	1.550	10	30		BDEEHN
C#CCOc1c(CNC)cccc1OC	ZINC000037709482	363895579	/nfs/dbraw/zinc/89/55/79/363895579.db2.gz	NLXYOVAHJJUPTB-UHFFFAOYSA-N	0	3	205.257	1.427	10	30		BDEEHN
C=CCCCN1CC[C@H]2OCCN[C@H]2C1	ZINC000404079312	369418497	/nfs/dbraw/zinc/41/84/97/369418497.db2.gz	OTHUZUCDTGCGSU-NWDGAFQWSA-N	0	3	210.321	1.015	10	30		BDEEHN
CN1CCC[C@@H]1CN[C@@H]1CCCC[C@@H]1C#N	ZINC000226044979	371602835	/nfs/dbraw/zinc/60/28/35/371602835.db2.gz	LSRRPEYCRYDHNU-JHJVBQTASA-N	0	3	221.348	1.753	10	30		BDEEHN
C=C(C)CC(=O)[C@@H]1CN(C)CCCN1C	ZINC000132260620	371778158	/nfs/dbraw/zinc/77/81/58/371778158.db2.gz	JVLPQAKTCIFGAR-NSHDSACASA-N	0	3	210.321	1.158	10	30		BDEEHN
C=C(C)CN[C@@H]1CCCC[C@H]1NS(C)(=O)=O	ZINC000381145510	373928903	/nfs/dbraw/zinc/92/89/03/373928903.db2.gz	NPHFVMCRDFTHQI-GHMZBOCLSA-N	0	3	246.376	1.013	10	30		BDEEHN
CCCNC(=O)Nc1ccc(F)cc1C#CCN	ZINC000037552849	169239859	/nfs/dbraw/zinc/23/98/59/169239859.db2.gz	PVJMCIFPWSWVKR-UHFFFAOYSA-N	0	3	249.289	1.667	10	30		BDEEHN
CCC[C@@H](N)C(=O)NCc1cccc(C#N)c1	ZINC000037748693	169390045	/nfs/dbraw/zinc/39/00/45/169390045.db2.gz	MWSPKOGNEXKVJB-GFCCVEGCSA-N	0	3	231.299	1.302	10	30		BDEEHN
CN(C)[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)C1	ZINC000071140001	384654536	/nfs/dbraw/zinc/65/45/36/384654536.db2.gz	RESKUPPWVZYWRR-CYBMUJFWSA-N	0	3	243.310	1.334	10	30		BDEEHN
CO[C@H]1C[C@@H](CO)N(Cc2ccc(C#N)cc2)C1	ZINC000343992210	385736552	/nfs/dbraw/zinc/73/65/52/385736552.db2.gz	VNFVXWMPOSZIFX-KBPBESRZSA-N	0	3	246.310	1.140	10	30		BDEEHN
C#CCN1CCC[C@@H](n2ccnc2CC)C1	ZINC000105896681	533155823	/nfs/dbraw/zinc/15/58/23/533155823.db2.gz	FZMVBSRFLAGFPU-GFCCVEGCSA-N	0	3	217.316	1.716	10	30		BDEEHN
C[C@H](NC(=O)[C@H](N)CCCC#N)C1CCCC1	ZINC000424134037	387640407	/nfs/dbraw/zinc/64/04/07/387640407.db2.gz	HLJQVIWQOPCHHB-CMPLNLGQSA-N	0	3	237.347	1.702	10	30		BDEEHN
C[C@H]1CN(c2cc(C#N)ccn2)C[C@H](C)N1	ZINC000053711460	132363450	/nfs/dbraw/zinc/36/34/50/132363450.db2.gz	YDCSOGVUOWYPNU-UWVGGRQHSA-N	0	3	216.288	1.140	10	30		BDEEHN
C[C@@H]1CN(c2cccc(C#N)c2)CCN1	ZINC000054348226	132364066	/nfs/dbraw/zinc/36/40/66/132364066.db2.gz	BFRBTXRKEIQILE-SNVBAGLBSA-N	0	3	201.273	1.356	10	30		BDEEHN
CCCCCN1CCCC[C@H]1/C(N)=N/O	ZINC000070662776	135006417	/nfs/dbraw/zinc/00/64/17/135006417.db2.gz	ZPPPEZGBPSNAQZ-JTQLQIEISA-N	0	3	213.325	1.778	10	30		BDEEHN
N#CCCN1CCC[C@@H]1[C@H]1CCCC[C@H]1O	ZINC000337273394	135009710	/nfs/dbraw/zinc/00/97/10/135009710.db2.gz	CRSLVKIMANTPJJ-JHJVBQTASA-N	0	3	222.332	1.916	10	30		BDEEHN
C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(C)(C)C#N	ZINC000252674982	135096132	/nfs/dbraw/zinc/09/61/32/135096132.db2.gz	WLLDFFGPRQUGEM-MNOVXSKESA-N	0	3	235.331	1.231	10	30		BDEEHN
N#CC1(CN2CCN3CCCC[C@@H]3C2)CC1	ZINC000259087808	135136934	/nfs/dbraw/zinc/13/69/34/135136934.db2.gz	DJHFPAYCPZRERL-GFCCVEGCSA-N	0	3	219.332	1.460	10	30		BDEEHN
N#CC1(CN2CCN3CCC[C@@H]3C2)CCC1	ZINC000259147755	135137375	/nfs/dbraw/zinc/13/73/75/135137375.db2.gz	JCEGYNMGTVCFEV-GFCCVEGCSA-N	0	3	219.332	1.460	10	30		BDEEHN
C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccccc1C	ZINC000042237853	135219631	/nfs/dbraw/zinc/21/96/31/135219631.db2.gz	UJLYIUBTOHYNRP-QWHCGFSZSA-N	0	3	244.338	1.784	10	30		BDEEHN
C[C@@H]1NC(=O)CC[C@@H]1NCC#Cc1ccccc1	ZINC000282274005	135371203	/nfs/dbraw/zinc/37/12/03/135371203.db2.gz	HUCNJUVIDDMQRV-JSGCOSHPSA-N	0	3	242.322	1.295	10	30		BDEEHN
C=C(C)CN1CCN(CCOCC)[C@H](CC)C1	ZINC000105914833	397786448	/nfs/dbraw/zinc/78/64/48/397786448.db2.gz	CYXVJTWHPVZKTQ-CQSZACIVSA-N	0	3	240.391	1.995	10	30		BDEEHN
CNC(C)(C)C(=O)Nc1sccc1C#N	ZINC000061318595	173319031	/nfs/dbraw/zinc/31/90/31/173319031.db2.gz	ZYONRMIMZDWXNZ-UHFFFAOYSA-N	0	3	223.301	1.556	10	30		BDEEHN
C#CCNC(=O)[C@H](C)Oc1ccccc1[C@@H](C)N	ZINC000037697774	166184502	/nfs/dbraw/zinc/18/45/02/166184502.db2.gz	GPDAIYPNEUUSTF-MNOVXSKESA-N	0	3	246.310	1.223	10	30		BDEEHN
C=C[C@H](CO)NC[C@@H]1CCCCC1(F)F	ZINC000662168449	411372162	/nfs/dbraw/zinc/37/21/62/411372162.db2.gz	HBPXXIDRNWFIQA-VHSXEESVSA-N	0	3	219.275	1.948	10	30		BDEEHN
CCC(=O)Nc1ccc(C#CCN)c(C)c1	ZINC000037654045	168243752	/nfs/dbraw/zinc/24/37/52/168243752.db2.gz	BNESEGGIJYWNLW-UHFFFAOYSA-N	0	3	216.284	1.654	10	30		BDEEHN
CCOC(=O)N[C@@H](C)c1cccc(C#CCN)c1	ZINC000049587459	170242739	/nfs/dbraw/zinc/24/27/39/170242739.db2.gz	KQUZQTFDBNUXCG-NSHDSACASA-N	0	3	246.310	1.804	10	30		BDEEHN
CCOC(=O)C(C#N)Cc1cccc([N+](=O)[O-])c1	ZINC000074468375	170244656	/nfs/dbraw/zinc/24/46/56/170244656.db2.gz	FCWZULBTRPVZAV-SNVBAGLBSA-N	0	3	248.238	1.840	10	30		BDEEHN
CC[C@H](C)CNC(=O)c1cncc(C#CCN)c1	ZINC000054491049	171283788	/nfs/dbraw/zinc/28/37/88/171283788.db2.gz	QMMQELUWZNBPIW-NSHDSACASA-N	0	3	245.326	1.168	10	30		BDEEHN
CC[C@H](N)C(=O)Nc1cccc(F)c1C#N	ZINC000036871861	171484211	/nfs/dbraw/zinc/48/42/11/171484211.db2.gz	MMTBPRLBVKFQKA-VIFPVBQESA-N	0	3	221.235	1.373	10	30		BDEEHN
CN(C[C@H]1CCCN(C)C1)c1nccc(C#N)n1	ZINC000297236549	173041553	/nfs/dbraw/zinc/04/15/53/173041553.db2.gz	UJGLYIPHSCPUER-NSHDSACASA-N	0	3	245.330	1.126	10	30		BDEEHN
CN1CC[C@@H](Nc2ccc(C#N)cc2N)C1	ZINC000042545054	173125368	/nfs/dbraw/zinc/12/53/68/173125368.db2.gz	JVROYZACVHFQME-SNVBAGLBSA-N	0	3	216.288	1.256	10	30		BDEEHN
COC(=O)Nc1cc(C#CCN)ccc1Cl	ZINC000061692062	173662957	/nfs/dbraw/zinc/66/29/57/173662957.db2.gz	PPBAEKIMWZXOMT-UHFFFAOYSA-N	0	3	238.674	1.829	10	30		BDEEHN
COc1ccc(C#CCN)cc1Cn1ccnc1	ZINC000049610071	175051047	/nfs/dbraw/zinc/05/10/47/175051047.db2.gz	RNZXZZGSYBJQET-UHFFFAOYSA-N	0	3	241.294	1.250	10	30		BDEEHN
COc1ccc2c(c1)CCCC2=NNC(=N)N	ZINC000029227016	175208155	/nfs/dbraw/zinc/20/81/55/175208155.db2.gz	RIWPLLRKLPJXGL-PTNGSMBKSA-N	0	3	232.287	1.009	10	30		BDEEHN
C[C@H](CN1CCCC1)NC(=O)C1(C#N)CCCC1	ZINC000044366369	176664847	/nfs/dbraw/zinc/66/48/47/176664847.db2.gz	CVRNYGWHRRVCLF-GFCCVEGCSA-N	0	3	249.358	1.671	10	30		BDEEHN
C[C@H](S)[C@H]1NCCc2ccc(O)cc21	ZINC000083663899	177026163	/nfs/dbraw/zinc/02/61/63/177026163.db2.gz	SFSPDSYQCYNMPH-WRWORJQWSA-N	0	3	209.314	1.897	10	30		BDEEHN
C[C@H]1C[C@@H]1NC(=O)c1ccc(C#CCN)cc1	ZINC000052299565	177348723	/nfs/dbraw/zinc/34/87/23/177348723.db2.gz	OYLAPQMWVFRQPV-GWCFXTLKSA-N	0	3	228.295	1.135	10	30		BDEEHN
C[C@H]1NC(=O)CC[C@@H]1NCc1cccc(C#N)c1	ZINC000282233978	177393568	/nfs/dbraw/zinc/39/35/68/177393568.db2.gz	FSFZIXUJQJOAGP-MFKMUULPSA-N	0	3	243.310	1.315	10	30		BDEEHN
N#Cc1ccc(CNC[C@@H]2CCC[C@@H]2O)cc1F	ZINC000404053638	229362308	/nfs/dbraw/zinc/36/23/08/229362308.db2.gz	GBZJOVUYMREUSL-JSGCOSHPSA-N	0	3	248.301	1.948	10	30		BDEEHN
CCC#C[C@H](C)N[C@@H]1CCC(=O)NC1(C)C	ZINC000390615803	488170248	/nfs/dbraw/zinc/17/02/48/488170248.db2.gz	GVAIMHPOTIWBTI-WDEREUQCSA-N	0	3	222.332	1.435	10	30		BDEEHN
C=C(Cl)CN1CCC[C@@H]1CCCO	ZINC000052762755	711636824	/nfs/dbraw/zinc/63/68/24/711636824.db2.gz	MYTDYFDDINCVFL-SNVBAGLBSA-N	0	3	203.713	1.976	10	30		BDEEHN
C[C@H](C(N)=O)N(C)CCCCC(C)(C)C#N	ZINC000711136117	712286531	/nfs/dbraw/zinc/28/65/31/712286531.db2.gz	XVLZNFFLMXVKJS-SNVBAGLBSA-N	0	3	225.336	1.512	10	30		BDEEHN
C=CC(=O)[C@H](N)[C@@H](C)OCc1ccccc1	ZINC000685961625	538908700	/nfs/dbraw/zinc/90/87/00/538908700.db2.gz	MGDYSIMJFMKNCM-ZWNOBZJWSA-N	0	3	219.284	1.674	10	30		BDEEHN
N#C[C@H]1CCC[C@H]1NCCC1(O)CCC1	ZINC000397670277	398190198	/nfs/dbraw/zinc/19/01/98/398190198.db2.gz	NIPHKRNKJMIUND-GHMZBOCLSA-N	0	3	208.305	1.573	10	30		BDEEHN
CC(C#N)C(=O)N[C@H](C)c1nccs1	ZINC000070732782	361744685	/nfs/dbraw/zinc/74/46/85/361744685.db2.gz	HHKWKHMJXPPZTD-NKWVEPMBSA-N	0	3	209.274	1.480	10	30		BDEEHN
C=C(C)C[C@H](N)[C@H]1CCCCS1(=O)=O	ZINC000130860686	398285003	/nfs/dbraw/zinc/28/50/03/398285003.db2.gz	ZPVOGKMEOBHTMS-VHSXEESVSA-N	0	3	217.334	1.247	10	30		BDEEHN
C[C@@H]1CCN(C)CCN1C(=O)CC(C)(C)C#N	ZINC000335905511	136260854	/nfs/dbraw/zinc/26/08/54/136260854.db2.gz	NWCCGHKFFMMJQH-LLVKDONJSA-N	0	3	237.347	1.479	10	30		BDEEHN
O=C(Cc1cncnc1)N[C@@H]1CCN(C2CC2)C1	ZINC000329773521	136262660	/nfs/dbraw/zinc/26/26/60/136262660.db2.gz	IBBYLPKYUJWLOP-LLVKDONJSA-N	0	3	246.314	1.212	10	30		BDEEHN
C[C@H](C#CCN1CCCC1)N1CCCC1=O	ZINC000013448076	343088570	/nfs/dbraw/zinc/08/85/70/343088570.db2.gz	LVKGEHAPRFNGNI-GFCCVEGCSA-N	0	3	220.316	1.097	10	30		BDEEHN
CC(C#N)S(=O)(=O)C1CCCCC1	ZINC000043523001	343124825	/nfs/dbraw/zinc/12/48/25/343124825.db2.gz	JKYDONCMEDDTGE-QMMMGPOBSA-N	0	3	201.291	1.646	10	30		BDEEHN
N#C[C@@H]1CCCC[C@@H]1N[C@@H]1CCNC(=O)CC1	ZINC000396745739	349811927	/nfs/dbraw/zinc/81/19/27/349811927.db2.gz	YLMVKTFSLJFLOY-SRVKXCTJSA-N	0	3	235.331	1.327	10	30		BDEEHN
N#C[C@@H]1CCC[C@H]1NCC1(O)CCCC1	ZINC000083466259	343486941	/nfs/dbraw/zinc/48/69/41/343486941.db2.gz	QFSQPUGJNZJSHW-WDEREUQCSA-N	0	3	208.305	1.573	10	30		BDEEHN
N#C[C@H]1CCCC[C@H]1NCC1(O)CCCC1	ZINC000083466166	343608415	/nfs/dbraw/zinc/60/84/15/343608415.db2.gz	BLXBQSWHUNNCLD-VXGBXAGGSA-N	0	3	222.332	1.963	10	30		BDEEHN
NCc1cccc(C#Cc2ccccc2)n1	ZINC000309537253	343790537	/nfs/dbraw/zinc/79/05/37/343790537.db2.gz	FPYDBAALZOBZPT-UHFFFAOYSA-N	0	3	208.264	1.940	10	30		BDEEHN
C=CCNc1cc(NC)nc(C2CC2)n1	ZINC000409428456	343803594	/nfs/dbraw/zinc/80/35/94/343803594.db2.gz	FPDBMRXYHYOKSX-UHFFFAOYSA-N	0	3	204.277	1.416	10	30		BDEEHN
N#C[C@@H](c1cccc(Cl)c1)N1CC(N)C1	ZINC000409439212	343847009	/nfs/dbraw/zinc/84/70/09/343847009.db2.gz	GBSXHUIAZBTBAW-NSHDSACASA-N	0	3	221.691	1.548	10	30		BDEEHN
N#C[C@H](c1cccc(Cl)c1)N1CC(N)C1	ZINC000409439206	343847068	/nfs/dbraw/zinc/84/70/68/343847068.db2.gz	GBSXHUIAZBTBAW-LLVKDONJSA-N	0	3	221.691	1.548	10	30		BDEEHN
C#CCSCCNCc1cnn(C)c1C	ZINC000126256678	344172888	/nfs/dbraw/zinc/17/28/88/344172888.db2.gz	SGIIKSDBOPWGEI-UHFFFAOYSA-N	0	3	223.345	1.185	10	30		BDEEHN
C=C(C)CN[C@@H]1CCCC[C@H]1S(C)(=O)=O	ZINC000130814553	344224288	/nfs/dbraw/zinc/22/42/88/344224288.db2.gz	ULIMVYMMDBUFLY-GHMZBOCLSA-N	0	3	231.361	1.508	10	30		BDEEHN
C=C(C)CN[C@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000130814305	344224435	/nfs/dbraw/zinc/22/44/35/344224435.db2.gz	ULIMVYMMDBUFLY-QWRGUYRKSA-N	0	3	231.361	1.508	10	30		BDEEHN
CC#CCN[C@@H]1CCCC[C@@H]1n1cccn1	ZINC000127913696	344202832	/nfs/dbraw/zinc/20/28/32/344202832.db2.gz	VVHHGTXVZJFCNT-OLZOCXBDSA-N	0	3	217.316	1.980	10	30		BDEEHN
CCN1CCC[C@@H]1CN(C)c1cnc(C#N)cn1	ZINC000092631290	344300097	/nfs/dbraw/zinc/30/00/97/344300097.db2.gz	SXDRHNBFIIAJJE-GFCCVEGCSA-N	0	3	245.330	1.269	10	30		BDEEHN
CC#CCCN1CCCN(c2cccnn2)CC1	ZINC000155437541	345081085	/nfs/dbraw/zinc/08/10/85/345081085.db2.gz	DVLKVVXMOOQQIJ-UHFFFAOYSA-N	0	3	244.342	1.402	10	30		BDEEHN
N/C(CCN(Cc1ccccc1)C1CC1)=N/O	ZINC000044415004	345059191	/nfs/dbraw/zinc/05/91/91/345059191.db2.gz	QSQHPYZILDXNEJ-UHFFFAOYSA-N	0	3	233.315	1.788	10	30		BDEEHN
N#Cc1cc(CN)nc(OC(F)(F)F)c1	ZINC000238633755	345098202	/nfs/dbraw/zinc/09/82/02/345098202.db2.gz	NCNUBFJANGXBOK-UHFFFAOYSA-N	0	3	217.150	1.311	10	30		BDEEHN
Cc1cccc(CCNCC(=O)NCCC#N)c1	ZINC000051670194	179058691	/nfs/dbraw/zinc/05/86/91/179058691.db2.gz	HLEVXIUOXINSLH-UHFFFAOYSA-N	0	3	245.326	1.157	10	30		BDEEHN
C/[N+]([O-])=C\c1cccc(Br)c1	ZINC000225442484	370653115	/nfs/dbraw/zinc/65/31/15/370653115.db2.gz	IGMMGLDMFZLOIN-UXBLZVDNSA-N	0	3	215.070	1.900	10	30		BDEEHN
O=C[C@@H]1CCCCN1[C@@H]1CCCC[C@H]1O	ZINC000251090588	362837191	/nfs/dbraw/zinc/83/71/91/362837191.db2.gz	IFYQILGSUMGCNU-QJPTWQEYSA-N	0	3	211.305	1.343	10	30		BDEEHN
CCN(Cc1ccccc1)C[C@@H](C)/C(N)=N/O	ZINC000036678382	347435673	/nfs/dbraw/zinc/43/56/73/347435673.db2.gz	FGQKXQCPPCFTHD-LLVKDONJSA-N	0	3	235.331	1.891	10	30		BDEEHN
Cc1ccccc1CN(C)C[C@H](C)/C(N)=N/O	ZINC000042307378	179270801	/nfs/dbraw/zinc/27/08/01/179270801.db2.gz	CHIHGJHYQFOENV-NSHDSACASA-N	0	3	235.331	1.809	10	30		BDEEHN
Cc1ccccc1[C@@H](C#N)NCCN(C)C	ZINC000019987226	179316384	/nfs/dbraw/zinc/31/63/84/179316384.db2.gz	RLMZRKDSGCHIMR-CYBMUJFWSA-N	0	3	217.316	1.711	10	30		BDEEHN
C[C@H](CS)CN1C[C@H](C)OC[C@@H]1C	ZINC000251678337	362897051	/nfs/dbraw/zinc/89/70/51/362897051.db2.gz	MDXSBBMHXDUKBQ-GUBZILKMSA-N	0	3	203.351	1.662	10	30		BDEEHN
C[C@H](CS)CN1C[C@@H](C)OC[C@H]1C	ZINC000251678342	362897149	/nfs/dbraw/zinc/89/71/49/362897149.db2.gz	MDXSBBMHXDUKBQ-IVZWLZJFSA-N	0	3	203.351	1.662	10	30		BDEEHN
C[C@H](N[C@@H]1CCOC[C@@H]1O)c1ccc(C#N)cc1	ZINC000599078741	349095236	/nfs/dbraw/zinc/09/52/36/349095236.db2.gz	ALINNDVYLMCTBD-GDLCADMTSA-N	0	3	246.310	1.359	10	30		BDEEHN
C[C@H](N[C@H]1CCOC[C@@H]1O)c1cccc(C#N)c1	ZINC000599081515	349095909	/nfs/dbraw/zinc/09/59/09/349095909.db2.gz	NZWBXPLLILLBKP-BPNCWPANSA-N	0	3	246.310	1.359	10	30		BDEEHN
N#Cc1cc(OC(F)(F)F)ccc1CN	ZINC000616576315	349100672	/nfs/dbraw/zinc/10/06/72/349100672.db2.gz	QRYLVMLQIKNWAD-UHFFFAOYSA-N	0	3	216.162	1.916	10	30		BDEEHN
N#Cc1ccccc1[C@H]1CCN(CCO)C1	ZINC000616613797	350067960	/nfs/dbraw/zinc/06/79/60/350067960.db2.gz	QTJRFVYBAPAKLE-LBPRGKRZSA-N	0	3	216.284	1.340	10	30		BDEEHN
Cc1nccn1CCN1CCC(=NO)CC1	ZINC000049330675	180251390	/nfs/dbraw/zinc/25/13/90/180251390.db2.gz	KMSMRHOMHZNBNH-UHFFFAOYSA-N	0	3	222.292	1.118	10	30		BDEEHN
N#Cc1ccccc1C1CCN(CCO)CC1	ZINC000616609310	350805315	/nfs/dbraw/zinc/80/53/15/350805315.db2.gz	PLGTYUARAAAFJO-UHFFFAOYSA-N	0	3	230.311	1.730	10	30		BDEEHN
N#C[C@H]1CCCC[C@@H]1NCCC1(O)CCC1	ZINC000397668299	350959499	/nfs/dbraw/zinc/95/94/99/350959499.db2.gz	MIABMHDQBJOZTK-NEPJUHHUSA-N	0	3	222.332	1.963	10	30		BDEEHN
COc1nc(C#C[C@@H](N)C(C)C)cs1	ZINC000306791541	351042246	/nfs/dbraw/zinc/04/22/46/351042246.db2.gz	YBVOTUGNOSQALP-SECBINFHSA-N	0	3	210.302	1.487	10	30		BDEEHN
CC#CCN1CCC(Cc2nccn2C)CC1	ZINC000119236345	358461217	/nfs/dbraw/zinc/46/12/17/358461217.db2.gz	PKKZPGQFIIEMRK-UHFFFAOYSA-N	0	3	231.343	1.698	10	30		BDEEHN
C#CCN[C@@H]1CC[C@H]2SCCS[C@@H]12	ZINC000306969612	351386201	/nfs/dbraw/zinc/38/62/01/351386201.db2.gz	SITBMZVQRPOLPB-BBBLOLIVSA-N	0	3	213.371	1.589	10	30		BDEEHN
N#CCCCN1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000088022534	351511544	/nfs/dbraw/zinc/51/15/44/351511544.db2.gz	NRPLPJNXJUTIPY-STQMWFEESA-N	0	3	222.332	1.917	10	30		BDEEHN
C#CC[C@H](N)c1cnn(C)c1Br	ZINC000307586916	352661189	/nfs/dbraw/zinc/66/11/89/352661189.db2.gz	RGWOKQSRLDXTIB-ZETCQYMHSA-N	0	3	228.093	1.206	10	30		BDEEHN
CN(CC=O)[C@H]1CCN(Cc2ccccc2)C1	ZINC000307677867	352755199	/nfs/dbraw/zinc/75/51/99/352755199.db2.gz	MRNRPSCQDKKGMV-AWEZNQCLSA-N	0	3	232.327	1.392	10	30		BDEEHN
C=CCNC[C@H](O)c1ccc2c(c1)OCO2	ZINC000032013826	188234061	/nfs/dbraw/zinc/23/40/61/188234061.db2.gz	OZXIIPZHHMFQLH-JTQLQIEISA-N	0	3	221.256	1.224	10	30		BDEEHN
C=CCNC[C@H](O)c1ccc(OC)cc1	ZINC000032011688	188234077	/nfs/dbraw/zinc/23/40/77/188234077.db2.gz	CJJBYKVYCFHSGV-LBPRGKRZSA-N	0	3	207.273	1.504	10	30		BDEEHN
CC#CCN1CCC[C@H]1Cn1ccnc1C	ZINC000178331855	188253050	/nfs/dbraw/zinc/25/30/50/188253050.db2.gz	JECPGZDRMSEGGU-ZDUSSCGKSA-N	0	3	217.316	1.679	10	30		BDEEHN
C=CC[C@H](N)C(=O)NCc1cccc(Cl)c1	ZINC000083366524	188269959	/nfs/dbraw/zinc/26/99/59/188269959.db2.gz	HNCUVJZDVXWRAP-NSHDSACASA-N	0	3	238.718	1.860	10	30		BDEEHN
CNCc1cnn(-c2cccc(C#N)c2)c1	ZINC000040932585	188292964	/nfs/dbraw/zinc/29/29/64/188292964.db2.gz	POARUYXQGZAQPN-UHFFFAOYSA-N	0	3	212.256	1.463	10	30		BDEEHN
Cc1ccc(CN(C)CC/C(N)=N\O)cc1C	ZINC000049668786	188298798	/nfs/dbraw/zinc/29/87/98/188298798.db2.gz	NOTCRFAGSLQCIX-UHFFFAOYSA-N	0	3	235.331	1.872	10	30		BDEEHN
C=C(Cl)CNC1CCC(C(N)=O)CC1	ZINC000088324736	188302207	/nfs/dbraw/zinc/30/22/07/188302207.db2.gz	HXQLZDJPSIJAII-UHFFFAOYSA-N	0	3	216.712	1.373	10	30		BDEEHN
C#CCN1CCC(NCc2nccs2)CC1	ZINC000041012766	188396656	/nfs/dbraw/zinc/39/66/56/188396656.db2.gz	CWUGWOGDWJDFFG-UHFFFAOYSA-N	0	3	235.356	1.330	10	30		BDEEHN
N#CC1(Nc2ccccc2)CCNCC1	ZINC000040695133	181030569	/nfs/dbraw/zinc/03/05/69/181030569.db2.gz	FPDKTTQWCRCRAJ-UHFFFAOYSA-N	0	3	201.273	1.744	10	30		BDEEHN
N#CCCN(C(=O)[C@H]1CCCCN1)C1CC1	ZINC000038099429	181037222	/nfs/dbraw/zinc/03/72/22/181037222.db2.gz	CTRXUTGCWLZNHW-LLVKDONJSA-N	0	3	221.304	1.033	10	30		BDEEHN
N#CCN(CC#N)[C@@H](CN)c1cccc(F)c1	ZINC000042971061	181040717	/nfs/dbraw/zinc/04/07/17/181040717.db2.gz	SHPZYANODCEFSX-LBPRGKRZSA-N	0	3	232.262	1.175	10	30		BDEEHN
N#CCN(CC#N)[C@@H](CN)c1ccccc1Cl	ZINC000043051109	181040410	/nfs/dbraw/zinc/04/04/10/181040410.db2.gz	QOQQXKFJJGXTFT-LBPRGKRZSA-N	0	3	248.717	1.689	10	30		BDEEHN
N#CC(Cc1ccccc1)C(=O)N1CCCC1	ZINC000044808613	181055995	/nfs/dbraw/zinc/05/59/95/181055995.db2.gz	AUNVUFXDDVFABQ-CYBMUJFWSA-N	0	3	228.295	1.991	10	30		BDEEHN
N#C[C@H]1CCCC[C@H]1NCCn1ccnc1	ZINC000054826389	181069290	/nfs/dbraw/zinc/06/92/90/181069290.db2.gz	XCORIUIFWXNTHW-VXGBXAGGSA-N	0	3	218.304	1.555	10	30		BDEEHN
N#Cc1c2c(sc1N1CCCC1=O)CNCC2	ZINC000071187299	181078405	/nfs/dbraw/zinc/07/84/05/181078405.db2.gz	NAMRLIPYMGRMFP-UHFFFAOYSA-N	0	3	247.323	1.392	10	30		BDEEHN
N#Cc1ccc(CN[C@H]2CCC[C@H]2O)o1	ZINC000164612618	181110267	/nfs/dbraw/zinc/11/02/67/181110267.db2.gz	BEHLFSKAGAOVJG-WDEREUQCSA-N	0	3	206.245	1.154	10	30		BDEEHN
N#Cc1ccccc1NC(=O)CNC1CC1	ZINC000037386660	181148505	/nfs/dbraw/zinc/14/85/05/181148505.db2.gz	SHTJDCUVAZIASC-UHFFFAOYSA-N	0	3	215.256	1.249	10	30		BDEEHN
C=C(Br)CNc1nccn1C	ZINC000168327670	356897477	/nfs/dbraw/zinc/89/74/77/356897477.db2.gz	LBHIGFRXXCHBMC-UHFFFAOYSA-N	0	3	216.082	1.741	10	30		BDEEHN
C#C[C@@]1(N)CCN(Cc2ccccc2)C1	ZINC000685948140	538890156	/nfs/dbraw/zinc/89/01/56/538890156.db2.gz	YUBYUTBBLMOSMH-CYBMUJFWSA-N	0	3	200.285	1.223	10	30		BDEEHN
CCn1cnnc1C1CCN(CCCC#N)CC1	ZINC000105929384	357779217	/nfs/dbraw/zinc/77/92/17/357779217.db2.gz	ZCJNCQITXWNDCK-UHFFFAOYSA-N	0	3	247.346	1.781	10	30		BDEEHN
CCOC(=O)C(C#N)C1CN(C(C)(C)C)C1	ZINC000584656945	358308895	/nfs/dbraw/zinc/30/88/95/358308895.db2.gz	WKEHJYULIKMBSY-JTQLQIEISA-N	0	3	224.304	1.420	10	30		BDEEHN
N#C[C@@H]1CCN(CCc2ccccc2)C[C@H]1O	ZINC000584636427	358320987	/nfs/dbraw/zinc/32/09/87/358320987.db2.gz	DMDSRHXRNOWSTL-UONOGXRCSA-N	0	3	230.311	1.435	10	30		BDEEHN
Cn1ccnc1CC1CCN(CCCC#N)CC1	ZINC000105875947	358436986	/nfs/dbraw/zinc/43/69/86/358436986.db2.gz	GVFMDZBIANHPMF-UHFFFAOYSA-N	0	3	246.358	1.978	10	30		BDEEHN
C=C(C)CN(CC)C(=O)CN[C@@H](C)COC	ZINC000309621379	491153566	/nfs/dbraw/zinc/15/35/66/491153566.db2.gz	FINMBABVYIIJAC-NSHDSACASA-N	0	3	228.336	1.036	10	30		BDEEHN
NCC#Cc1cc(F)ccc1Cn1cccn1	ZINC000049610056	181346011	/nfs/dbraw/zinc/34/60/11/181346011.db2.gz	SUNOBEXMHMEKLW-UHFFFAOYSA-N	0	3	229.258	1.381	10	30		BDEEHN
NCC#Cc1cccc(COC[C@@H]2CCCO2)c1	ZINC000049610797	181346227	/nfs/dbraw/zinc/34/62/27/181346227.db2.gz	BYKSIEAVYGKAAS-HNNXBMFYSA-N	0	3	245.322	1.692	10	30		BDEEHN
NCC#Cc1ccccc1N1CCCC1=O	ZINC000037471389	181347391	/nfs/dbraw/zinc/34/73/91/181347391.db2.gz	ZOAWOMXBEQTTMT-UHFFFAOYSA-N	0	3	214.268	1.124	10	30		BDEEHN
NCC#Cc1ccc(NC(=O)c2ccco2)cc1	ZINC000037551028	181346667	/nfs/dbraw/zinc/34/66/67/181346667.db2.gz	APASXEWNTFOLDG-UHFFFAOYSA-N	0	3	240.262	1.842	10	30		BDEEHN
NCC#Cc1ccccc1Cn1ccnc1	ZINC000049610069	181348676	/nfs/dbraw/zinc/34/86/76/181348676.db2.gz	BJJKNRLIMZXHMZ-UHFFFAOYSA-N	0	3	211.268	1.242	10	30		BDEEHN
CC1CCC(CN2CCN(CC#N)CC2)CC1	ZINC000092936552	364688560	/nfs/dbraw/zinc/68/85/60/364688560.db2.gz	ZRLJTCZTEPMMQK-UHFFFAOYSA-N	0	3	235.375	1.954	10	30		BDEEHN
C#C[C@H](NC)[C@@H]1SCCS[C@H]1C	ZINC000252724501	367896244	/nfs/dbraw/zinc/89/62/44/367896244.db2.gz	XMLGBHVHIZCTMR-XHNCKOQMSA-N	0	3	201.360	1.445	10	30		BDEEHN
N#CCC[C@H](C#N)CN[C@H]1CCC[C@@H](O)C1	ZINC000309558332	370229341	/nfs/dbraw/zinc/22/93/41/370229341.db2.gz	INPGXZHSFXCTIJ-GRYCIOLGSA-N	0	3	221.304	1.323	10	30		BDEEHN
CCN1CCC[C@H]1CN(C)c1nccnc1C#N	ZINC000092631321	371106667	/nfs/dbraw/zinc/10/66/67/371106667.db2.gz	ZZPUHSKFGPZTNZ-NSHDSACASA-N	0	3	245.330	1.269	10	30		BDEEHN
CC[C@H](C#N)C(=O)N(C)C[C@H]1CCCN1CC	ZINC000092630822	371107150	/nfs/dbraw/zinc/10/71/50/371107150.db2.gz	KKYYAEPBHLMVDI-VXGBXAGGSA-N	0	3	237.347	1.479	10	30		BDEEHN
CNC(=NN)c1cc(C)cc(Br)c1	ZINC000163593845	372017387	/nfs/dbraw/zinc/01/73/87/372017387.db2.gz	DWJUJNHZKSPJPY-UHFFFAOYSA-N	0	3	242.120	1.597	10	30		BDEEHN
CCCNC(=O)C(C#N)Cc1ccccc1	ZINC000044808644	169241463	/nfs/dbraw/zinc/24/14/63/169241463.db2.gz	NAPDJPPQMYLJJI-GFCCVEGCSA-N	0	3	216.284	1.895	10	30		BDEEHN
CCC[C@@H](C#N)C(=O)N1CC[C@H](N2CCCC2)C1	ZINC000104015012	169342648	/nfs/dbraw/zinc/34/26/48/169342648.db2.gz	PRVSFKBIBIAPSC-STQMWFEESA-N	0	3	249.358	1.623	10	30		BDEEHN
CCC(C#N)(CC)C(=O)N1CCN2CCC[C@H]2C1	ZINC000094460763	384975081	/nfs/dbraw/zinc/97/50/81/384975081.db2.gz	NFGRZLYDZJYIPL-LBPRGKRZSA-N	0	3	249.358	1.623	10	30		BDEEHN
N#Cc1ccc([C@H]2C[C@H](O)CCN2)cc1	ZINC000584598940	385468163	/nfs/dbraw/zinc/46/81/63/385468163.db2.gz	BOUWSLUTJRWHDN-VXGBXAGGSA-N	0	3	202.257	1.344	10	30		BDEEHN
COc1c(Cl)cc(/C=N/[O-])cc1C[NH3+]	ZINC000575602463	387370344	/nfs/dbraw/zinc/37/03/44/387370344.db2.gz	PMNJIWQUJXNBDW-LFYBBSHMSA-N	0	3	214.652	1.615	10	30		BDEEHN
C[C@@H]1CSC(NCC2SCCS2)=N1	ZINC000575498163	387329183	/nfs/dbraw/zinc/32/91/83/387329183.db2.gz	UEQODXJTOPXPGD-ZCFIWIBFSA-N	0	3	234.415	1.873	10	30		BDEEHN
N#Cc1ccc(Br)c(CN)c1	ZINC000238633799	387886254	/nfs/dbraw/zinc/88/62/54/387886254.db2.gz	CXGLMRLIJWZMFG-UHFFFAOYSA-N	0	3	211.062	1.779	10	30		BDEEHN
C#CCN1CCN(CCOCC)[C@H](CC)C1	ZINC000105837824	387931504	/nfs/dbraw/zinc/93/15/04/387931504.db2.gz	CDTWUDDOSGXEIV-CYBMUJFWSA-N	0	3	224.348	1.052	10	30		BDEEHN
Cc1nc(C[C@H]2CCCN(CCCC#N)C2)no1	ZINC000195517955	387922737	/nfs/dbraw/zinc/92/27/37/387922737.db2.gz	GSROWIDYPPMSKB-GFCCVEGCSA-N	0	3	248.330	1.936	10	30		BDEEHN
C=CCC[C@H](O)CN1CCC[C@H]1c1cnn(C)c1	ZINC000245983692	388000205	/nfs/dbraw/zinc/00/02/05/388000205.db2.gz	DMWPOAJHYQVPJT-KBPBESRZSA-N	0	3	249.358	1.884	10	30		BDEEHN
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C1(C#N)CCC1	ZINC000083798487	388063963	/nfs/dbraw/zinc/06/39/63/388063963.db2.gz	QGUDIUAXXCJCOD-VXGBXAGGSA-N	0	3	247.342	1.375	10	30		BDEEHN
N#Cc1c(F)cccc1N1CCN2CCC[C@H]2C1	ZINC000245198004	388413871	/nfs/dbraw/zinc/41/38/71/388413871.db2.gz	PISBTPAQEMGJLZ-NSHDSACASA-N	0	3	245.301	1.982	10	30		BDEEHN
CC#CC[C@H](N)c1c(Br)cnn1C	ZINC000575485086	388869406	/nfs/dbraw/zinc/86/94/06/388869406.db2.gz	YRBBURDOEXEUGG-QMMMGPOBSA-N	0	3	242.120	1.596	10	30		BDEEHN
N#Cc1cc(N2CCNCC2)ccc1F	ZINC000075927825	132309057	/nfs/dbraw/zinc/30/90/57/132309057.db2.gz	ULJNNPVXBIJGED-UHFFFAOYSA-N	0	3	205.236	1.107	10	30		BDEEHN
C[C@H]1CN(c2ccccc2C#N)CCN1	ZINC000077297102	132443323	/nfs/dbraw/zinc/44/33/23/132443323.db2.gz	KMWDGAYIJPWWAS-JTQLQIEISA-N	0	3	201.273	1.356	10	30		BDEEHN
CC[C@H](C(=O)N[C@@H]1CCC[C@H]1C#N)N(C)C	ZINC000407988025	397801775	/nfs/dbraw/zinc/80/17/75/397801775.db2.gz	BNYNITOWXIHFJT-HBNTYKKESA-N	0	3	223.320	1.135	10	30		BDEEHN
C[C@@H]1[C@@H](O)CCCN1Cc1cccc(C#N)c1	ZINC000294930693	398102067	/nfs/dbraw/zinc/10/20/67/398102067.db2.gz	GFJFANWDGVHLNX-RISCZKNCSA-N	0	3	230.311	1.903	10	30		BDEEHN
C#CC[N@@H+](C)[C@H]1CCc2cccc([O-])c21	ZINC000013492319	166159991	/nfs/dbraw/zinc/15/99/91/166159991.db2.gz	BTTBIZBMYHKJTB-NSHDSACASA-N	0	3	201.269	1.945	10	30		BDEEHN
C#CC[N@H+](C)[C@H]1CCc2cccc([O-])c21	ZINC000013492319	166159995	/nfs/dbraw/zinc/15/99/95/166159995.db2.gz	BTTBIZBMYHKJTB-NSHDSACASA-N	0	3	201.269	1.945	10	30		BDEEHN
C#CCSCCNCc1cn2ccccc2n1	ZINC000174421256	166203000	/nfs/dbraw/zinc/20/30/00/166203000.db2.gz	BGPGHOPWSSRPHM-UHFFFAOYSA-N	0	3	245.351	1.790	10	30		BDEEHN
C#Cc1cccc(NC(=O)[C@H]2CCCCN2)c1	ZINC000019516898	166223067	/nfs/dbraw/zinc/22/30/67/166223067.db2.gz	FOEHFOJEMVOERG-CYBMUJFWSA-N	0	3	228.295	1.749	10	30		BDEEHN
C=CCNC(=O)[C@@H](N)CCc1ccccc1	ZINC000083349449	166385320	/nfs/dbraw/zinc/38/53/20/166385320.db2.gz	NWAWCCYZOJKJDH-LBPRGKRZSA-N	0	3	218.300	1.249	10	30		BDEEHN
C=CCNCCC(=O)c1cccc(N)c1	ZINC000098123859	166398981	/nfs/dbraw/zinc/39/89/81/166398981.db2.gz	YJJRQPMZWUTJSZ-UHFFFAOYSA-N	0	3	204.273	1.617	10	30		BDEEHN
CC1CCC(C#N)(NCCN(C)C)CC1	ZINC000020178000	168149782	/nfs/dbraw/zinc/14/97/82/168149782.db2.gz	VVARHWSEQHFCCQ-UHFFFAOYSA-N	0	3	209.337	1.610	10	30		BDEEHN
CCC(=O)Nc1sc2c(c1C#N)CCNC2	ZINC000035248220	168248237	/nfs/dbraw/zinc/24/82/37/168248237.db2.gz	LSJONRBYVQRNHZ-UHFFFAOYSA-N	0	3	235.312	1.614	10	30		BDEEHN
CCN(C[C@@H](C)C#N)C(=O)[C@H]1CCCCN1	ZINC000037820995	169878703	/nfs/dbraw/zinc/87/87/03/169878703.db2.gz	NQHRHUFRPLDSTB-WDEREUQCSA-N	0	3	223.320	1.137	10	30		BDEEHN
CC[C@H](C#N)N1CCN(C(C)(C)C)CC1	ZINC000043556541	171219286	/nfs/dbraw/zinc/21/92/86/171219286.db2.gz	VYINDEOTYZMYPB-LLVKDONJSA-N	0	3	209.337	1.705	10	30		BDEEHN
CC[C@H](C)CN1CCN(C(C)(C)C#N)CC1	ZINC000070995965	171281329	/nfs/dbraw/zinc/28/13/29/171281329.db2.gz	UGQDDZOCMUNGHR-LBPRGKRZSA-N	0	3	223.364	1.952	10	30		BDEEHN
C=CCN(C(=O)[C@H](N)CCC)[C@H](C)COC	ZINC000662855966	412325490	/nfs/dbraw/zinc/32/54/90/412325490.db2.gz	XKXYDEDXKGCSMI-GHMZBOCLSA-N	0	3	228.336	1.163	10	30		BDEEHN
CN(C(=O)C(C)(C)N)c1ccc(C#N)cc1	ZINC000061980487	172295394	/nfs/dbraw/zinc/29/53/94/172295394.db2.gz	SEDRLXFUDCJHQW-UHFFFAOYSA-N	0	3	217.272	1.258	10	30		BDEEHN
CN1CC[C@@H](NCc2ccccc2OCC#N)C1	ZINC000042545619	173123722	/nfs/dbraw/zinc/12/37/22/173123722.db2.gz	KDZUVTIAYTVLSN-CYBMUJFWSA-N	0	3	245.326	1.383	10	30		BDEEHN
CN1CC[C@@H](Nc2cccc(F)c2C#N)C1	ZINC000060941527	173126531	/nfs/dbraw/zinc/12/65/31/173126531.db2.gz	OFQCQKPFAOLLHJ-SECBINFHSA-N	0	3	219.263	1.813	10	30		BDEEHN
COCCN(C)Cc1cccc(C#CCO)c1	ZINC000049614806	174280276	/nfs/dbraw/zinc/28/02/76/174280276.db2.gz	SRVSAFJJQVGIGL-UHFFFAOYSA-N	0	3	233.311	1.109	10	30		BDEEHN
COc1cccc([C@H](CN)N(C)C[C@@H](C)C#N)c1	ZINC000043028250	175294202	/nfs/dbraw/zinc/29/42/02/175294202.db2.gz	PWXOLOBBEKANAN-FZMZJTMJSA-N	0	3	247.342	1.786	10	30		BDEEHN
C[C@@H](S)[C@@H]1[NH2+]CCc2cccc([O-])c21	ZINC000083660563	176007121	/nfs/dbraw/zinc/00/71/21/176007121.db2.gz	FPASJYBOJPXPLI-HQJQHLMTSA-N	0	3	209.314	1.897	10	30		BDEEHN
C[C@H]1COCCN1Cc1ccccc1C#CCN	ZINC000049609128	177292954	/nfs/dbraw/zinc/29/29/54/177292954.db2.gz	RVDJSXNVSWCFCH-ZDUSSCGKSA-N	0	3	244.338	1.218	10	30		BDEEHN
C=CCN(CC=C)C(=O)[C@@H](CCC)N(C)C	ZINC000179992733	534824645	/nfs/dbraw/zinc/82/46/45/534824645.db2.gz	ABSSATSBKLFQJI-GFCCVEGCSA-N	0	3	224.348	1.917	10	30		BDEEHN
C#C[C@@H](NC[C@H](O)COCCCC)C(C)C	ZINC000300905898	527291106	/nfs/dbraw/zinc/29/11/06/527291106.db2.gz	LKJZHEAEUVLUCT-QWHCGFSZSA-N	0	3	227.348	1.411	10	30		BDEEHN
CN1CCC(C#CC(=O)OC(C)(C)C)CC1	ZINC000685954375	538897212	/nfs/dbraw/zinc/89/72/12/538897212.db2.gz	VVXJDRIXLIFJCF-UHFFFAOYSA-N	0	3	223.316	1.673	10	30		BDEEHN
Cc1cc(NC(=O)C(C)C)ccc1C#CCN	ZINC000037551438	178125780	/nfs/dbraw/zinc/12/57/80/178125780.db2.gz	BDTDLCCGVQFMKX-UHFFFAOYSA-N	0	3	230.311	1.900	10	30		BDEEHN
N#C[C@@H]1CCC[C@H]1NC1CCN(C2CC2)CC1	ZINC000310323447	136220607	/nfs/dbraw/zinc/22/06/07/136220607.db2.gz	ZMWOHVNIKOYKLY-SMDDNHRTSA-N	0	3	233.359	1.895	10	30		BDEEHN
CC(C)OCc1sccc1C#CCN	ZINC000043685043	343700600	/nfs/dbraw/zinc/70/06/00/343700600.db2.gz	YSMAVWMKDFIIGY-UHFFFAOYSA-N	0	3	209.314	1.983	10	30		BDEEHN
CC(C)(C=O)CN1CCO[C@@H]2CCC[C@@H]21	ZINC000051178425	346975401	/nfs/dbraw/zinc/97/54/01/346975401.db2.gz	DDFDBWSKBIQVEQ-WDEREUQCSA-N	0	3	211.305	1.465	10	30		BDEEHN
N=C(N)Nc1nccc2c(Cl)cccc21	ZINC000096834469	343906110	/nfs/dbraw/zinc/90/61/10/343906110.db2.gz	GTHFAVSHKWPOSY-UHFFFAOYSA-N	0	3	220.663	1.793	10	30		BDEEHN
C#CC[C@@H](N)c1ccncc1Br	ZINC000307330729	343930736	/nfs/dbraw/zinc/93/07/36/343930736.db2.gz	OAAOQEDFLKPWSJ-SECBINFHSA-N	0	3	225.089	1.867	10	30		BDEEHN
C=CCN[C@@H]1CCCC[C@H]1S(C)(=O)=O	ZINC000130705817	344224697	/nfs/dbraw/zinc/22/46/97/344224697.db2.gz	QECZYXAYCRIZJF-NXEZZACHSA-N	0	3	217.334	1.118	10	30		BDEEHN
C#CCN[C@@H]1CCCC[C@H]1n1cccn1	ZINC000128514538	344206518	/nfs/dbraw/zinc/20/65/18/344206518.db2.gz	VTAPDFPNLAXOEU-VXGBXAGGSA-N	0	3	203.289	1.590	10	30		BDEEHN
C#CCNC[C@H](C)C(=O)OCc1ccccc1	ZINC000235119732	344801956	/nfs/dbraw/zinc/80/19/56/344801956.db2.gz	WUFFREZORYYRLL-LBPRGKRZSA-N	0	3	231.295	1.589	10	30		BDEEHN
N#Cc1nccc(CN)c1OC(F)(F)F	ZINC000238689472	345112865	/nfs/dbraw/zinc/11/28/65/345112865.db2.gz	XYIAFCXWNNZIPB-UHFFFAOYSA-N	0	3	217.150	1.311	10	30		BDEEHN
C[C@H](N)C#Cc1occc1Br	ZINC000166996563	346180635	/nfs/dbraw/zinc/18/06/35/346180635.db2.gz	OCYBSILCNGNXLM-LURJTMIESA-N	0	3	214.062	1.741	10	30		BDEEHN
Cc1ccc(Br)cc1NC(N)=NN	ZINC000164590407	346610921	/nfs/dbraw/zinc/61/09/21/346610921.db2.gz	BKLLWJFJRMIWLU-UHFFFAOYSA-N	0	3	243.108	1.358	10	30		BDEEHN
CC(C)[C@H](C)NC(=O)[C@H](N)CCCCC#N	ZINC000594427479	348043895	/nfs/dbraw/zinc/04/38/95/348043895.db2.gz	UUPANFFKRAOUQN-WDEREUQCSA-N	0	3	225.336	1.558	10	30		BDEEHN
Cc1nn(-c2cccc(C#N)c2)c(C)c1CN	ZINC000035779174	180328948	/nfs/dbraw/zinc/32/89/48/180328948.db2.gz	JHEMHNHOQPQDOB-UHFFFAOYSA-N	0	3	226.283	1.820	10	30		BDEEHN
Cc1nn(CC#N)c(C)c1CNC1CC1	ZINC000036868823	180384021	/nfs/dbraw/zinc/38/40/21/180384021.db2.gz	NJHKXJAWSOXVNX-UHFFFAOYSA-N	0	3	204.277	1.276	10	30		BDEEHN
CNC(=N)Nc1ccc(F)c(F)c1F	ZINC000052069393	350901962	/nfs/dbraw/zinc/90/19/62/350901962.db2.gz	WELYTUMJRVNBMW-UHFFFAOYSA-N	0	3	203.167	1.270	10	30		BDEEHN
CN(C)Cc1sccc1C#CCCO	ZINC000043679277	352639364	/nfs/dbraw/zinc/63/93/64/352639364.db2.gz	LAXDJBLKILEKIB-UHFFFAOYSA-N	0	3	209.314	1.544	10	30		BDEEHN
C=CCC[C@@H](O)CN1CCC[C@@H]1c1cnn(C)c1	ZINC000126941727	353254292	/nfs/dbraw/zinc/25/42/92/353254292.db2.gz	DMWPOAJHYQVPJT-ZIAGYGMSSA-N	0	3	249.358	1.884	10	30		BDEEHN
C#CCN(C)c1ncc(CN)cc1Cl	ZINC000130794793	353359932	/nfs/dbraw/zinc/35/99/32/353359932.db2.gz	SJFKXCXXXNXGOX-UHFFFAOYSA-N	0	3	209.680	1.263	10	30		BDEEHN
C=CCC1(C(=O)N2CC[C@H](N(C)C)C2)CCC1	ZINC000191183212	353446260	/nfs/dbraw/zinc/44/62/60/353446260.db2.gz	AJUMWBMWKKNDTQ-LBPRGKRZSA-N	0	3	236.359	1.895	10	30		BDEEHN
CC(=O)Nc1sc2c(c1C#N)CCNC2	ZINC000036269577	188459532	/nfs/dbraw/zinc/45/95/32/188459532.db2.gz	CVQBXSPQRBXPAZ-UHFFFAOYSA-N	0	3	221.285	1.224	10	30		BDEEHN
N#CC1(NCc2ccccc2)CCNCC1	ZINC000040695167	181030723	/nfs/dbraw/zinc/03/07/23/181030723.db2.gz	BOZKWNXFQJARGB-UHFFFAOYSA-N	0	3	215.300	1.422	10	30		BDEEHN
N#CCOc1ccccc1CNC[C@@H](O)C1CC1	ZINC000071301410	181044274	/nfs/dbraw/zinc/04/42/74/181044274.db2.gz	YGHBBTAUJXNTLF-CYBMUJFWSA-N	0	3	246.310	1.449	10	30		BDEEHN
N#CCN(CC#N)[C@H](CN)c1cccc(Cl)c1	ZINC000042975119	181040542	/nfs/dbraw/zinc/04/05/42/181040542.db2.gz	UBUQMTFBTHBYDT-GFCCVEGCSA-N	0	3	248.717	1.689	10	30		BDEEHN
N#C[C@@H]1CCCN1C(=O)[C@@H](N)C1CCCC1	ZINC000014948394	181059177	/nfs/dbraw/zinc/05/91/77/181059177.db2.gz	FQLSDZRDGGRNBU-QWRGUYRKSA-N	0	3	221.304	1.018	10	30		BDEEHN
N#C[C@@H]1CCC[C@H]1NC1(CO)CCCCC1	ZINC000054829889	181060009	/nfs/dbraw/zinc/06/00/09/181060009.db2.gz	WESSLFJESXYRLH-NWDGAFQWSA-N	0	3	222.332	1.963	10	30		BDEEHN
N#Cc1ccc(CNC(=O)C2(N)CCCC2)cc1	ZINC000037748606	181107420	/nfs/dbraw/zinc/10/74/20/181107420.db2.gz	BLWJWYYJDGZXFY-UHFFFAOYSA-N	0	3	243.310	1.446	10	30		BDEEHN
C=CCNCC(=O)NCCc1ccc(F)cc1	ZINC000095081798	166398853	/nfs/dbraw/zinc/39/88/53/166398853.db2.gz	AMEFJJUOQXXMIJ-UHFFFAOYSA-N	0	3	236.290	1.260	10	30		BDEEHN
N=C(Nc1ncccn1)NC1CCCC1	ZINC000253574397	181180229	/nfs/dbraw/zinc/18/02/29/181180229.db2.gz	SOFPNKGVEZRCME-UHFFFAOYSA-N	0	3	205.265	1.146	10	30		BDEEHN
N/C(=N\O)c1ccccc1CN1CCCC1	ZINC000022150142	181181702	/nfs/dbraw/zinc/18/17/02/181181702.db2.gz	AJHBHLNIBSMEKT-UHFFFAOYSA-N	0	3	219.288	1.377	10	30		BDEEHN
CC(=O)N1CCCC[C@H]1C#CCN1CCCC1	ZINC000005160067	355356015	/nfs/dbraw/zinc/35/60/15/355356015.db2.gz	DSPDJPFEBQTXDO-AWEZNQCLSA-N	0	3	234.343	1.487	10	30		BDEEHN
C=CCNC[C@H](O)[C@H]1CCc2ccccc2O1	ZINC000584626613	358295759	/nfs/dbraw/zinc/29/57/59/358295759.db2.gz	VUNDEVOKFIWHHG-GXTWGEPZSA-N	0	3	233.311	1.517	10	30		BDEEHN
CC(C#N)C(=O)N[C@H]1COc2ccccc21	ZINC000070530840	359058405	/nfs/dbraw/zinc/05/84/05/359058405.db2.gz	VQDHRBMRTJQLHR-WPRPVWTQSA-N	0	3	216.240	1.396	10	30		BDEEHN
CC(C#N)C(=O)N[C@H]1COc2ccccc21	ZINC000070530841	359058671	/nfs/dbraw/zinc/05/86/71/359058671.db2.gz	VQDHRBMRTJQLHR-SCZZXKLOSA-N	0	3	216.240	1.396	10	30		BDEEHN
O=CCCN1CCc2ccccc2CC1	ZINC000070620789	361647602	/nfs/dbraw/zinc/64/76/02/361647602.db2.gz	JUPZUECHMUQQEP-UHFFFAOYSA-N	0	3	203.285	1.676	10	30		BDEEHN
NCC#Cc1cccc(Cn2ccnc2)c1	ZINC000049610075	181346090	/nfs/dbraw/zinc/34/60/90/181346090.db2.gz	ZQNFNNMSHNGWHA-UHFFFAOYSA-N	0	3	211.268	1.242	10	30		BDEEHN
NCC#Cc1cccc(COC[C@H]2CCCO2)c1	ZINC000049610798	181345924	/nfs/dbraw/zinc/34/59/24/181345924.db2.gz	BYKSIEAVYGKAAS-OAHLLOKOSA-N	0	3	245.322	1.692	10	30		BDEEHN
NCC#Cc1cc(CN2CCCC2=O)ccc1F	ZINC000049609983	181346469	/nfs/dbraw/zinc/34/64/69/181346469.db2.gz	KNDTWOLOYVZLLG-UHFFFAOYSA-N	0	3	246.285	1.258	10	30		BDEEHN
CN(C)[C@@H]1CCN(C(=O)c2sccc2C#N)C1	ZINC000170864157	364544647	/nfs/dbraw/zinc/54/46/47/364544647.db2.gz	MDOAUGSJOMDWDW-SNVBAGLBSA-N	0	3	249.339	1.396	10	30		BDEEHN
N#C[C@@H]1CCCC[C@H]1NC[C@H]1CCOC1	ZINC000251020634	369640285	/nfs/dbraw/zinc/64/02/85/369640285.db2.gz	FCJIZKAWXZERGI-GRYCIOLGSA-N	0	3	208.305	1.695	10	30		BDEEHN
CC[C@@H](C#N)C(=O)N(C)C[C@@H]1CCCN1CC	ZINC000092630816	371107106	/nfs/dbraw/zinc/10/71/06/371107106.db2.gz	KKYYAEPBHLMVDI-RYUDHWBXSA-N	0	3	237.347	1.479	10	30		BDEEHN
CC(C)(C)C#CCN1CCC2(CC1)OCCO2	ZINC000304126101	371761079	/nfs/dbraw/zinc/76/10/79/371761079.db2.gz	LBMLVLOGOPZHQO-UHFFFAOYSA-N	0	3	237.343	1.875	10	30		BDEEHN
N=C(N)NN=Cc1ccc(Br)s1	ZINC000057931695	371930851	/nfs/dbraw/zinc/93/08/51/371930851.db2.gz	MFYPNPRQAKNXMV-XCVCLJGOSA-N	0	3	247.121	1.118	10	30		BDEEHN
C#CC[C@H](N)c1ncccc1Br	ZINC000133207945	372005677	/nfs/dbraw/zinc/00/56/77/372005677.db2.gz	KMHLEWHQQSYKIL-QMMMGPOBSA-N	0	3	225.089	1.867	10	30		BDEEHN
CC(C)(C#N)c1ccc(N2CCNCC2)cc1	ZINC000142241286	373115499	/nfs/dbraw/zinc/11/54/99/373115499.db2.gz	CYFBHRJMWISQIT-UHFFFAOYSA-N	0	3	229.327	1.897	10	30		BDEEHN
CCCOCc1cc(C#CCN)ccc1OC	ZINC000049611045	169309671	/nfs/dbraw/zinc/30/96/71/169309671.db2.gz	FIKDFDQOYTXRNO-UHFFFAOYSA-N	0	3	233.311	1.932	10	30		BDEEHN
CCCN[C@](C)(C#N)CCN(C)CCCOC	ZINC000062034595	169292511	/nfs/dbraw/zinc/29/25/11/169292511.db2.gz	HSXOSPZWVXHXAS-ZDUSSCGKSA-N	0	3	241.379	1.627	10	30		BDEEHN
C#CCN1C[C@@H]2CCCCN2C[C@@H]1CC	ZINC000227357669	134378593	/nfs/dbraw/zinc/37/85/93/134378593.db2.gz	VUTHDJNYROCSAF-STQMWFEESA-N	0	3	206.333	1.568	10	30		BDEEHN
C[C@@H]1NC(=O)CC[C@@H]1NCc1cc(C#N)cs1	ZINC000336172984	383983830	/nfs/dbraw/zinc/98/38/30/383983830.db2.gz	LSOGPPLVWQLWSK-KWQFWETISA-N	0	3	249.339	1.376	10	30		BDEEHN
C[C@H]1C[C@H](O)CN(Cc2cccc(C#N)c2)C1	ZINC000334745262	383946765	/nfs/dbraw/zinc/94/67/65/383946765.db2.gz	FBXHMZSQCAUMET-FZMZJTMJSA-N	0	3	230.311	1.761	10	30		BDEEHN
C[C@@H]1C[C@@H](O)CN(Cc2ccc(C#N)cc2)C1	ZINC000334745247	383946931	/nfs/dbraw/zinc/94/69/31/383946931.db2.gz	DOPMWEQQMKDATC-BXUZGUMPSA-N	0	3	230.311	1.761	10	30		BDEEHN
C[C@H]1C[C@@H](O)CN(Cc2ccc(CC#N)cc2)C1	ZINC000335587903	384351269	/nfs/dbraw/zinc/35/12/69/384351269.db2.gz	AEPITFKEEDOKTO-SWLSCSKDSA-N	0	3	244.338	1.955	10	30		BDEEHN
CC#CCCN1C[C@@H]2CCCCN2C[C@@H]1C	ZINC000164989110	386444929	/nfs/dbraw/zinc/44/49/29/386444929.db2.gz	ZVSXWNXWOFGEHB-KBPBESRZSA-N	0	3	220.360	1.958	10	30		BDEEHN
C#CCNCc1ccc(N2CCOCC2)cc1	ZINC000020084677	533178835	/nfs/dbraw/zinc/17/88/35/533178835.db2.gz	RRJVEAKQBYJXGV-UHFFFAOYSA-N	0	3	230.311	1.246	10	30		BDEEHN
CC(C#N)C(=O)N[C@@H]1CCOc2ccccc21	ZINC000051987851	387801831	/nfs/dbraw/zinc/80/18/31/387801831.db2.gz	QPEIMGMLRVOJCM-MWLCHTKSSA-N	0	3	230.267	1.786	10	30		BDEEHN
CN(C)[C@H]1CCN(C(=O)C2(C#N)CCCC2)C1	ZINC000071139972	388268437	/nfs/dbraw/zinc/26/84/37/388268437.db2.gz	CQQYEZJZXJCTGH-NSHDSACASA-N	0	3	235.331	1.233	10	30		BDEEHN
C/[N+]([O-])=C\c1ccc(Br)cc1	ZINC000225402488	388680709	/nfs/dbraw/zinc/68/07/09/388680709.db2.gz	CNXLESCAXUFVHG-UXBLZVDNSA-N	0	3	215.070	1.900	10	30		BDEEHN
C[C@H](N[C@@H]1CCC[C@@H]1C#N)[C@@H]1CCOC1	ZINC000229636131	388796396	/nfs/dbraw/zinc/79/63/96/388796396.db2.gz	DAQQDFWQKFIDLE-IRCOFANPSA-N	0	3	208.305	1.693	10	30		BDEEHN
CC1(C)CSC(NCC2CSC2)=N1	ZINC000575488668	388881032	/nfs/dbraw/zinc/88/10/32/388881032.db2.gz	VMSVSWUMPCHZQG-UHFFFAOYSA-N	0	3	216.375	1.820	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1NCC[C@@H]1CCOC1	ZINC000220881047	134316544	/nfs/dbraw/zinc/31/65/44/134316544.db2.gz	IUNNDRYMRNYTJX-WOPDTQHZSA-N	0	3	208.305	1.695	10	30		BDEEHN
CC(C)Oc1ccccc1C=NNC(=N)N	ZINC000041224070	167308471	/nfs/dbraw/zinc/30/84/71/167308471.db2.gz	ACXXPLVHGPWPGJ-VGOFMYFVSA-N	0	3	220.276	1.291	10	30		BDEEHN
C#CCNCCN1CCc2ccccc2C1	ZINC000053343311	166188164	/nfs/dbraw/zinc/18/81/64/166188164.db2.gz	ZMUHXBXEQYIUQP-UHFFFAOYSA-N	0	3	214.312	1.268	10	30		BDEEHN
C=CCNC(=O)N(C)C[C@@H]1CCCN1CC	ZINC000176367799	166374798	/nfs/dbraw/zinc/37/47/98/166374798.db2.gz	ZJEQIMAGMDKKSN-NSHDSACASA-N	0	3	225.336	1.298	10	30		BDEEHN
C=CCNC(=O)[C@@H](C)N[C@H]1CCc2ccccc21	ZINC000035180612	166382202	/nfs/dbraw/zinc/38/22/02/166382202.db2.gz	JYVILIIJQQZTAC-RISCZKNCSA-N	0	3	244.338	1.954	10	30		BDEEHN
CCOC(=O)/C(=C/C=C\N(C)C)C(C)=O	ZINC000033388414	170179966	/nfs/dbraw/zinc/17/99/66/170179966.db2.gz	YIJHRQWIUWJINF-GOOBONSCSA-N	0	3	211.261	1.140	10	30		BDEEHN
CCOCCN(CC/C(N)=N/O)CC(C)C	ZINC000043418829	170397126	/nfs/dbraw/zinc/39/71/26/170397126.db2.gz	IMEIPBBJEQJLHZ-UHFFFAOYSA-N	0	3	231.340	1.117	10	30		BDEEHN
CC[C@H](C)C(=O)NCc1ccccc1C#CCN	ZINC000049586424	171252007	/nfs/dbraw/zinc/25/20/07/171252007.db2.gz	SDVKDABWFBLWPQ-LBPRGKRZSA-N	0	3	244.338	1.659	10	30		BDEEHN
CNCC(=O)N(CCC#N)c1ccccc1	ZINC000019833583	173325581	/nfs/dbraw/zinc/32/55/81/173325581.db2.gz	CIUBGUBNDBIJIV-UHFFFAOYSA-N	0	3	217.272	1.153	10	30		BDEEHN
COCCNCc1cc(C)ccc1OCC#N	ZINC000071407538	174334228	/nfs/dbraw/zinc/33/42/28/174334228.db2.gz	LQDWPLPGYNMFRA-UHFFFAOYSA-N	0	3	234.299	1.633	10	30		BDEEHN
COc1ccc(C(=O)NC(C)C)cc1C#CCN	ZINC000038074471	175058376	/nfs/dbraw/zinc/05/83/76/175058376.db2.gz	JPILIWWEYRRTEU-UHFFFAOYSA-N	0	3	246.310	1.144	10	30		BDEEHN
C[C@@H]1C[C@@H]1C(=O)NCc1ccccc1C#CCN	ZINC000049586408	176386543	/nfs/dbraw/zinc/38/65/43/176386543.db2.gz	UPEYFMMOVOSJSO-RISCZKNCSA-N	0	3	242.322	1.269	10	30		BDEEHN
C[C@H]1CC(=O)N(Cc2ccccc2C#CCN)C1	ZINC000062817448	177061395	/nfs/dbraw/zinc/06/13/95/177061395.db2.gz	LXWWMSNXEGIZCM-LBPRGKRZSA-N	0	3	242.322	1.365	10	30		BDEEHN
C[C@H]1CCC(=O)N1CC#CCN1CCCC1	ZINC000013448101	177068959	/nfs/dbraw/zinc/06/89/59/177068959.db2.gz	BZCOASIWPFVBQZ-LBPRGKRZSA-N	0	3	220.316	1.097	10	30		BDEEHN
C[C@H]1CCCC[C@]1(C#N)NCCN(C)C	ZINC000037940683	177090681	/nfs/dbraw/zinc/09/06/81/177090681.db2.gz	GYWXDRQTJQPXJA-NWDGAFQWSA-N	0	3	209.337	1.610	10	30		BDEEHN
C[C@H]1NC(=O)CC[C@@H]1NCc1ccc(C#N)s1	ZINC000282466227	177393317	/nfs/dbraw/zinc/39/33/17/177393317.db2.gz	UJEAGQBGCWKNKG-KCJUWKMLSA-N	0	3	249.339	1.376	10	30		BDEEHN
C[C@H]1NC(=O)CC[C@H]1NCc1ccc(C#N)s1	ZINC000282466230	177394179	/nfs/dbraw/zinc/39/41/79/177394179.db2.gz	UJEAGQBGCWKNKG-LDYMZIIASA-N	0	3	249.339	1.376	10	30		BDEEHN
C=CC1CCN([C@H]2CCCCNC2=O)CC1	ZINC000120215863	534532699	/nfs/dbraw/zinc/53/26/99/534532699.db2.gz	JUAXDSCZSZIBRE-LBPRGKRZSA-N	0	3	222.332	1.553	10	30		BDEEHN
C=CCCCN(C)C(=O)[C@@]1(C)CCCCN1	ZINC000163702610	534703927	/nfs/dbraw/zinc/70/39/27/534703927.db2.gz	DLGQQVOQXBLKIN-CYBMUJFWSA-N	0	3	224.348	1.943	10	30		BDEEHN
CC(C)N(C)Cc1cc(C#CCO)cs1	ZINC000043698468	582805925	/nfs/dbraw/zinc/80/59/25/582805925.db2.gz	POSKGWGALQYQHT-UHFFFAOYSA-N	0	3	223.341	1.932	10	30		BDEEHN
C#CCCNCc1nc2ccccc2n1C	ZINC000069767764	631279856	/nfs/dbraw/zinc/27/98/56/631279856.db2.gz	IGEYOLNLHKGNJP-UHFFFAOYSA-N	0	3	213.284	1.686	10	30		BDEEHN
C#CCN(C)CCN(C)Cc1ccc(F)cc1	ZINC000192237293	636049713	/nfs/dbraw/zinc/04/97/13/636049713.db2.gz	QJVLLXFCPICSOT-UHFFFAOYSA-N	0	3	234.318	1.823	10	30		BDEEHN
CC(C)(CO)NCc1cccc(C#N)c1F	ZINC000221917158	640430743	/nfs/dbraw/zinc/43/07/43/640430743.db2.gz	PAPIXPLJCSYTQQ-UHFFFAOYSA-N	0	3	222.263	1.558	10	30		BDEEHN
C#CCCNCc1cc(OC)ccc1OC	ZINC000069768499	642903687	/nfs/dbraw/zinc/90/36/87/642903687.db2.gz	SFPVGODLIFRVSJ-UHFFFAOYSA-N	0	3	219.284	1.817	10	30		BDEEHN
C#CCNC(=O)[C@H](C)N[C@@H](C)c1cccs1	ZINC000035206925	712285389	/nfs/dbraw/zinc/28/53/89/712285389.db2.gz	HMBAIKSSDXZAQZ-UWVGGRQHSA-N	0	3	236.340	1.537	10	30		BDEEHN
C#C[C@H](N)[C@@H]1CS[C@@H](C)[C@@H](C)S1	ZINC000235425191	343981688	/nfs/dbraw/zinc/98/16/88/343981688.db2.gz	FOZYIXUFUYLTEX-KZVJFYERSA-N	0	3	201.360	1.573	10	30		BDEEHN
CCC(CC)C(=O)Nc1cccc(C#CCN)n1	ZINC000037552290	168340922	/nfs/dbraw/zinc/34/09/22/168340922.db2.gz	PQSUFBIZDJIZGG-UHFFFAOYSA-N	0	3	245.326	1.767	10	30		BDEEHN
CCCNC(=NN)c1cccc(Cl)c1	ZINC000042036052	361927093	/nfs/dbraw/zinc/92/70/93/361927093.db2.gz	BOQNUZNPOIOIBQ-UHFFFAOYSA-N	0	3	211.696	1.960	10	30		BDEEHN
CC1(C)CCN(C[C@H]2CO2)CCS1	ZINC000231043064	398322275	/nfs/dbraw/zinc/32/22/75/398322275.db2.gz	JGGFVBUJFBLTMP-VIFPVBQESA-N	0	3	201.335	1.603	10	30		BDEEHN
C#CCNC[C@@H](C)N1Cc2ccccc2C1	ZINC000053493190	166187796	/nfs/dbraw/zinc/18/77/96/166187796.db2.gz	CXEGFESJUYISHB-GFCCVEGCSA-N	0	3	214.312	1.614	10	30		BDEEHN
C[C@@H]1C[C@H](O)CCN1CCC(C)(C)C#N	ZINC000602931394	349822076	/nfs/dbraw/zinc/82/20/76/349822076.db2.gz	UHQSMHUAMFSAHS-GHMZBOCLSA-N	0	3	210.321	1.771	10	30		BDEEHN
Cc1nccn1CCN[C@H]1CCCC[C@@H]1C#N	ZINC000379918478	343655118	/nfs/dbraw/zinc/65/51/18/343655118.db2.gz	PJGWWPVWQAQRRD-OLZOCXBDSA-N	0	3	232.331	1.864	10	30		BDEEHN
C#CCOc1ccccc1CNC(C)(C)CO	ZINC000020196872	166200523	/nfs/dbraw/zinc/20/05/23/166200523.db2.gz	QCZMLHMVDQVGFK-UHFFFAOYSA-N	0	3	233.311	1.559	10	30		BDEEHN
C=C(CC)CNCC(=O)NCc1ccccc1	ZINC000097208036	344095663	/nfs/dbraw/zinc/09/56/63/344095663.db2.gz	QSIVVLNGSLRTIG-UHFFFAOYSA-N	0	3	232.327	1.859	10	30		BDEEHN
C#C[C@@H](N)[C@H]1CSc2ccccc2O1	ZINC000236301486	344354148	/nfs/dbraw/zinc/35/41/48/344354148.db2.gz	GJGHCRNMWQPEIT-PSASIEDQSA-N	0	3	205.282	1.500	10	30		BDEEHN
C[C@]1(O)CCCN(C/C=C/CS)CC1	ZINC000230384544	344569624	/nfs/dbraw/zinc/56/96/24/344569624.db2.gz	DYPSJBRRGFBFHM-VUDBWIFFSA-N	0	3	215.362	1.709	10	30		BDEEHN
C[C@@H]1CN(C/C=C/CS)C[C@@H](C)N1C	ZINC000127974937	344701781	/nfs/dbraw/zinc/70/17/81/344701781.db2.gz	PQCDGQCHIGNTRO-XKFHPXPTSA-N	0	3	214.378	1.497	10	30		BDEEHN
CCN1CCC[C@@H]1CN(C)c1cnccc1C#N	ZINC000135614372	344805212	/nfs/dbraw/zinc/80/52/12/344805212.db2.gz	XPWMVSZCZSSUGM-CYBMUJFWSA-N	0	3	244.342	1.874	10	30		BDEEHN
CC#CCN1CC[C@@H](c2cnn(C)c2)C1	ZINC000121195070	344916217	/nfs/dbraw/zinc/91/62/17/344916217.db2.gz	JOAXLDMGPTYPIX-LLVKDONJSA-N	0	3	203.289	1.233	10	30		BDEEHN
C#CCNC[C@@H]1CCCN1C(=O)OC(C)(C)C	ZINC000148237028	345368655	/nfs/dbraw/zinc/36/86/55/345368655.db2.gz	DFQZCAYJJOSTOK-NSHDSACASA-N	0	3	238.331	1.609	10	30		BDEEHN
Cc1ccc(C(N)=NN)cc1Br	ZINC000148495052	346235833	/nfs/dbraw/zinc/23/58/33/346235833.db2.gz	CINVULUXFYWSML-UHFFFAOYSA-N	0	3	228.093	1.337	10	30		BDEEHN
Cc1ccc(NC(N)=NN)cc1Br	ZINC000164595135	346611657	/nfs/dbraw/zinc/61/16/57/346611657.db2.gz	YGZSOFDYNDKCFX-UHFFFAOYSA-N	0	3	243.108	1.358	10	30		BDEEHN
CC(C)[C@H](C)NC(=O)[C@@H](N)CCCCC#N	ZINC000594427477	348043912	/nfs/dbraw/zinc/04/39/12/348043912.db2.gz	UUPANFFKRAOUQN-QWRGUYRKSA-N	0	3	225.336	1.558	10	30		BDEEHN
C[C@]1(C#N)CCN(C[C@@H]2CCC[C@@H](O)C2)C1	ZINC000595841390	348376251	/nfs/dbraw/zinc/37/62/51/348376251.db2.gz	LKRPZRGFEKCAPI-JHJVBQTASA-N	0	3	222.332	1.773	10	30		BDEEHN
CCn1cnnc1[C@@H]1CCCN(CCCC#N)C1	ZINC000161296516	349417039	/nfs/dbraw/zinc/41/70/39/349417039.db2.gz	SPJBHERKRQVXLH-GFCCVEGCSA-N	0	3	247.346	1.781	10	30		BDEEHN
C=CCCCn1nnc(CN)c1-c1ccnn1C	ZINC000725257383	538062605	/nfs/dbraw/zinc/06/26/05/538062605.db2.gz	MOUVPRBWNHCGDQ-UHFFFAOYSA-N	0	3	246.318	1.104	10	30		BDEEHN
CCN1CC[C@H](Nc2cccc(C#N)n2)C1	ZINC000389466312	351164876	/nfs/dbraw/zinc/16/48/76/351164876.db2.gz	TYUYFOPSJBKRIW-NSHDSACASA-N	0	3	216.288	1.459	10	30		BDEEHN
N#Cc1ccc([C@@H]2COCCCN2)cc1	ZINC000616647968	351175014	/nfs/dbraw/zinc/17/50/14/351175014.db2.gz	PYMKIKLZNRVXEY-LBPRGKRZSA-N	0	3	202.257	1.609	10	30		BDEEHN
CN1CCNC[C@H]1c1ccc(C#N)cc1	ZINC000616638563	351140671	/nfs/dbraw/zinc/14/06/71/351140671.db2.gz	YHDIRESDLLUXRM-LBPRGKRZSA-N	0	3	201.273	1.134	10	30		BDEEHN
C=CCNC[C@@H](O)c1ccc(N(C)C)cc1	ZINC000032013740	187720565	/nfs/dbraw/zinc/72/05/65/187720565.db2.gz	CLPJGSUYHMLYDZ-CYBMUJFWSA-N	0	3	220.316	1.562	10	30		BDEEHN
CN1CCC[C@@H]1CN[C@H]1CCCC[C@@H]1C#N	ZINC000300367565	352560876	/nfs/dbraw/zinc/56/08/76/352560876.db2.gz	LSRRPEYCRYDHNU-UPJWGTAASA-N	0	3	221.348	1.753	10	30		BDEEHN
C#CC[C@@H](N)c1cnn(C)c1Br	ZINC000307586915	352661511	/nfs/dbraw/zinc/66/15/11/352661511.db2.gz	RGWOKQSRLDXTIB-SSDOTTSWSA-N	0	3	228.093	1.206	10	30		BDEEHN
C=CCCC(C)(C)CNC(=O)[C@H]1C[C@H](F)CN1	ZINC000638874223	353044565	/nfs/dbraw/zinc/04/45/65/353044565.db2.gz	GNWJDYNODDAZNT-WDEREUQCSA-N	0	3	242.338	1.795	10	30		BDEEHN
CC(=O)NCCCN[C@@H]1CCCC[C@@H]1C#N	ZINC000383472483	353246719	/nfs/dbraw/zinc/24/67/19/353246719.db2.gz	DZUQGBBIWMJOTP-VXGBXAGGSA-N	0	3	223.320	1.185	10	30		BDEEHN
COc1ccc([C@@H](C#N)NCCN(C)C)cc1	ZINC000020173483	188462773	/nfs/dbraw/zinc/46/27/73/188462773.db2.gz	XMLIAROANKPCCG-CYBMUJFWSA-N	0	3	233.315	1.411	10	30		BDEEHN
N#CC1(NC2CCCCC2)CCNCC1	ZINC000040695234	181030494	/nfs/dbraw/zinc/03/04/94/181030494.db2.gz	WUALTMCDROSWDP-UHFFFAOYSA-N	0	3	207.321	1.554	10	30		BDEEHN
CC1(CN[C@@H]2CCCC[C@H]2C#N)COC1	ZINC000087197469	353944447	/nfs/dbraw/zinc/94/44/47/353944447.db2.gz	UIBWTONDMVJYSU-WDEREUQCSA-N	0	3	208.305	1.695	10	30		BDEEHN
N#CC(Cc1ccccc1)C(=O)N1CCOCC1	ZINC000034584292	181064001	/nfs/dbraw/zinc/06/40/01/181064001.db2.gz	FSCSJPCSYNFZSV-ZDUSSCGKSA-N	0	3	244.294	1.228	10	30		BDEEHN
N#C[C@@H]1CCC[C@H]1NC(=O)C1(N)CCCC1	ZINC000061890684	181059539	/nfs/dbraw/zinc/05/95/39/181059539.db2.gz	ANFYYGBXXUDRDD-VHSXEESVSA-N	0	3	221.304	1.066	10	30		BDEEHN
N#C[C@H]1CCC[C@H]1NC(=O)C1(N)CCCC1	ZINC000061890682	181068428	/nfs/dbraw/zinc/06/84/28/181068428.db2.gz	ANFYYGBXXUDRDD-NXEZZACHSA-N	0	3	221.304	1.066	10	30		BDEEHN
N#C[C@H]1CCCC[C@H]1NC1CCC(C(N)=O)CC1	ZINC000054825988	181069286	/nfs/dbraw/zinc/06/92/86/181069286.db2.gz	NFDKXEHFLOCQFJ-POOIEITISA-N	0	3	249.358	1.702	10	30		BDEEHN
N#Cc1ccc(F)c(CNCCCO)c1	ZINC000035186764	181112433	/nfs/dbraw/zinc/11/24/33/181112433.db2.gz	SUYYQJCJYKOBFJ-UHFFFAOYSA-N	0	3	208.236	1.169	10	30		BDEEHN
N#Cc1ccc([C@@H](NCC2CC2)C(N)=O)cc1	ZINC000037947113	181130490	/nfs/dbraw/zinc/13/04/90/181130490.db2.gz	BQUXPEJJSFCPSH-GFCCVEGCSA-N	0	3	229.283	1.084	10	30		BDEEHN
CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc(C#N)c1	ZINC000161195647	363391596	/nfs/dbraw/zinc/39/15/96/363391596.db2.gz	SQQIIYQVEBZLJN-BXKDBHETSA-N	0	3	231.299	1.870	10	30		BDEEHN
N#Cc1cccnc1[S@](=O)C[C@H]1CCCCN1	ZINC000095073467	181154742	/nfs/dbraw/zinc/15/47/42/181154742.db2.gz	HETZIFPBQGMXCV-DIFFPNOSSA-N	0	3	249.339	1.203	10	30		BDEEHN
C#Cc1cncc(OC[C@@H]2CCCN2C)c1	ZINC000013611482	355855222	/nfs/dbraw/zinc/85/52/22/355855222.db2.gz	ZDTSCWZPUHXKPB-LBPRGKRZSA-N	0	3	216.284	1.536	10	30		BDEEHN
Cc1cc(NCCN(C)C)c(C#N)c(C)n1	ZINC000087975034	356382293	/nfs/dbraw/zinc/38/22/93/356382293.db2.gz	UYXKWIYZXKOCDM-UHFFFAOYSA-N	0	3	218.304	1.544	10	30		BDEEHN
C=C(Br)CN[C@@H]1CCC[C@H]1O	ZINC000168283977	356714263	/nfs/dbraw/zinc/71/42/63/356714263.db2.gz	QFJHCSKEWJNBPS-HTQZYQBOSA-N	0	3	220.110	1.398	10	30		BDEEHN
C#C[C@H](N)[C@@H]1CS[C@H](C)[C@H](C)S1	ZINC000300024304	357172896	/nfs/dbraw/zinc/17/28/96/357172896.db2.gz	FOZYIXUFUYLTEX-XGEHTFHBSA-N	0	3	201.360	1.573	10	30		BDEEHN
C=CCCC[C@@H](C)NC(=O)[C@H]1C[C@H](F)CN1	ZINC000188997730	357589634	/nfs/dbraw/zinc/58/96/34/357589634.db2.gz	BQAQDMHZAPQMCU-OUAUKWLOSA-N	0	3	228.311	1.547	10	30		BDEEHN
C#CC(C)(C)N1CCN(CC(C)C)CC1	ZINC000685950403	538893857	/nfs/dbraw/zinc/89/38/57/538893857.db2.gz	OQWYFJBPDNBSEO-UHFFFAOYSA-N	0	3	208.349	1.672	10	30		BDEEHN
CN1CCCN(CC(C)(C)CCC#N)CC1=O	ZINC000191665298	357781818	/nfs/dbraw/zinc/78/18/18/357781818.db2.gz	POXQEWBNPQDHMJ-UHFFFAOYSA-N	0	3	237.347	1.480	10	30		BDEEHN
CN1CCC[C@H](COc2cc(N)ncc2C#N)C1	ZINC000584632711	358315442	/nfs/dbraw/zinc/31/54/42/358315442.db2.gz	JSVUUCRCKFXXHG-JTQLQIEISA-N	0	3	246.314	1.086	10	30		BDEEHN
C=C(Cl)CN1CCO[C@@H](CN(C)C)C1	ZINC000105926470	358438051	/nfs/dbraw/zinc/43/80/51/358438051.db2.gz	SULNXNYEDXMNDQ-JTQLQIEISA-N	0	3	218.728	1.001	10	30		BDEEHN
CCN1CCC[C@@H](NC(=O)C2(C#N)CCCC2)C1	ZINC000044766541	358554108	/nfs/dbraw/zinc/55/41/08/358554108.db2.gz	OGZQQFAHJKWSGP-GFCCVEGCSA-N	0	3	249.358	1.671	10	30		BDEEHN
CC[C@](C)(C#N)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C	ZINC000136275331	358871237	/nfs/dbraw/zinc/87/12/37/358871237.db2.gz	HLPNFMPGLBUWLR-SGMGOOAPSA-N	0	3	249.358	1.621	10	30		BDEEHN
N#CCC[C@H](C#N)CN1CCN2CCCC[C@@H]2C1	ZINC000246826646	359167819	/nfs/dbraw/zinc/16/78/19/359167819.db2.gz	NXOJPIQTFJWBIH-ZIAGYGMSSA-N	0	3	246.358	1.600	10	30		BDEEHN
C=C[C@@H](C)NC1CN(C(=O)OC(C)(C)C)C1	ZINC000139193252	361587735	/nfs/dbraw/zinc/58/77/35/361587735.db2.gz	JHSOKBQGZOVJDH-SECBINFHSA-N	0	3	226.320	1.770	10	30		BDEEHN
NCC#Cc1ccc(OCCn2cccn2)cc1	ZINC000049326292	181346743	/nfs/dbraw/zinc/34/67/43/181346743.db2.gz	BGELYHLORMDJSL-UHFFFAOYSA-N	0	3	241.294	1.272	10	30		BDEEHN
NCC#Cc1ccc(F)c(CN2CCCC2=O)c1	ZINC000049587772	181346950	/nfs/dbraw/zinc/34/69/50/181346950.db2.gz	GDEHIVADXUBBDI-UHFFFAOYSA-N	0	3	246.285	1.258	10	30		BDEEHN
NCC#Cc1cnc2c(F)cccc2c1	ZINC000068576120	181348498	/nfs/dbraw/zinc/34/84/98/181348498.db2.gz	AWNPLOVOJXIBDT-UHFFFAOYSA-N	0	3	200.216	1.684	10	30		BDEEHN
COC[C@H](C)CN[C@H]1CCCC[C@@H]1C#N	ZINC000054828513	369101181	/nfs/dbraw/zinc/10/11/81/369101181.db2.gz	UTUIASWCCCAEIQ-UTUOFQBUSA-N	0	3	210.321	1.941	10	30		BDEEHN
C=C(C)[C@H](NC)[C@H]1CCCCS1(=O)=O	ZINC000131399449	371599301	/nfs/dbraw/zinc/59/93/01/371599301.db2.gz	SSYDSXKDPVQIAK-ZJUUUORDSA-N	0	3	217.334	1.118	10	30		BDEEHN
C[C@H]1CN(CC2(CS)CC2)[C@@H](C)CO1	ZINC000227257633	371817300	/nfs/dbraw/zinc/81/73/00/371817300.db2.gz	MSMMQYFVPTUVAB-UWVGGRQHSA-N	0	3	215.362	1.806	10	30		BDEEHN
C#CCN[C@H](CC)CNC(=O)OC(C)(C)C	ZINC000227727045	371927292	/nfs/dbraw/zinc/92/72/92/371927292.db2.gz	DEVBOUDVESDNND-SNVBAGLBSA-N	0	3	226.320	1.513	10	30		BDEEHN
CCCN(CCO)[C@H]1CCCC[C@@H]1C#N	ZINC000042452720	169166664	/nfs/dbraw/zinc/16/66/64/169166664.db2.gz	NWCUHUNXUNLBQR-NEPJUHHUSA-N	0	3	210.321	1.773	10	30		BDEEHN
CCCNC(=O)c1ccc(C#CCN)cc1F	ZINC000037569782	169251475	/nfs/dbraw/zinc/25/14/75/169251475.db2.gz	YVXRZECGDMWFCK-UHFFFAOYSA-N	0	3	234.274	1.276	10	30		BDEEHN
CCCN[C@@](C)(C#N)CCN(C)CCCOC	ZINC000062034596	169283936	/nfs/dbraw/zinc/28/39/36/169283936.db2.gz	HSXOSPZWVXHXAS-CYBMUJFWSA-N	0	3	241.379	1.627	10	30		BDEEHN
N#Cc1ccc(CNCC2CC(O)C2)s1	ZINC000135562685	384176406	/nfs/dbraw/zinc/17/64/06/384176406.db2.gz	LUDAFRACBZFUOY-UHFFFAOYSA-N	0	3	222.313	1.480	10	30		BDEEHN
Cc1cnn(CCNCc2cc(C#N)cs2)c1	ZINC000177697679	384347821	/nfs/dbraw/zinc/34/78/21/384347821.db2.gz	DFHICWUJFQNDLO-UHFFFAOYSA-N	0	3	246.339	1.915	10	30		BDEEHN
C[C@H](NCc1ccc(C#N)o1)[C@@H]1CCCO1	ZINC000135481862	384448558	/nfs/dbraw/zinc/44/85/58/384448558.db2.gz	QONPKIKPSFEDGF-CABZTGNLSA-N	0	3	220.272	1.808	10	30		BDEEHN
CN1CCC(N[C@@H]2CCCC[C@@H]2C#N)CC1	ZINC000054824965	384818138	/nfs/dbraw/zinc/81/81/38/384818138.db2.gz	QMWPNMARDJEGSZ-DGCLKSJQSA-N	0	3	221.348	1.753	10	30		BDEEHN
C=CCN1CCN(CCOCC)[C@H](CC)C1	ZINC000105838213	384805536	/nfs/dbraw/zinc/80/55/36/384805536.db2.gz	AIGIQIKQEGUVRE-CYBMUJFWSA-N	0	3	226.364	1.605	10	30		BDEEHN
CN[C@H](CN1CCCC1)c1cccc(C#N)c1	ZINC000584598708	385465458	/nfs/dbraw/zinc/46/54/58/385465458.db2.gz	CYUMOKWPRQMMJU-CQSZACIVSA-N	0	3	229.327	1.915	10	30		BDEEHN
CN[C@@H](CN1CCCC1)c1cccc(C#N)c1	ZINC000584598703	385465636	/nfs/dbraw/zinc/46/56/36/385465636.db2.gz	CYUMOKWPRQMMJU-AWEZNQCLSA-N	0	3	229.327	1.915	10	30		BDEEHN
C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCC[C@@H]1C#N	ZINC000408337256	386125961	/nfs/dbraw/zinc/12/59/61/386125961.db2.gz	FNNLNAHHHIETJI-YVECIDJPSA-N	0	3	249.358	1.668	10	30		BDEEHN
C#CCN(C)[C@@H]1CCc2c(O)c(O)ccc2C1	ZINC000095913212	386558279	/nfs/dbraw/zinc/55/82/79/386558279.db2.gz	LNBLXTCAPJHGBK-LLVKDONJSA-N	0	3	231.295	1.520	10	30		BDEEHN
C=C(C)CN(C)C[C@H](O)COCCCC	ZINC000195215585	388145809	/nfs/dbraw/zinc/14/58/09/388145809.db2.gz	WTVYSEDVLQOYHF-LBPRGKRZSA-N	0	3	215.337	1.672	10	30		BDEEHN
NCC#Cc1ccc(F)c(Cl)c1F	ZINC000575518245	388355268	/nfs/dbraw/zinc/35/52/68/388355268.db2.gz	RWJKFTZVDWHJCJ-UHFFFAOYSA-N	0	3	201.603	1.928	10	30		BDEEHN
CC#CCNC(=O)N(C)C[C@@H]1CCCN1CC	ZINC000136009479	388518697	/nfs/dbraw/zinc/51/86/97/388518697.db2.gz	TZZBPVVKNZEGPX-LBPRGKRZSA-N	0	3	237.347	1.135	10	30		BDEEHN
C=CCN(C)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C	ZINC000187157831	388605853	/nfs/dbraw/zinc/60/58/53/388605853.db2.gz	HMIWVVGFXHCCJG-RYUDHWBXSA-N	0	3	239.363	1.543	10	30		BDEEHN
C=C(C)CN1CC[C@@H](c2cnn(C)c2)C1	ZINC000116312575	533512684	/nfs/dbraw/zinc/51/26/84/533512684.db2.gz	RSWRBZRWMWTHIP-LLVKDONJSA-N	0	3	205.305	1.786	10	30		BDEEHN
C[C@H]1CN(c2cccc(F)c2C#N)C[C@H](C)N1	ZINC000070078773	132391501	/nfs/dbraw/zinc/39/15/01/132391501.db2.gz	MXHJYHLROUNOJU-UWVGGRQHSA-N	0	3	233.290	1.884	10	30		BDEEHN
C[C@H]1OCC[C@H]1NCc1cccc(C#N)c1F	ZINC000221959483	134326781	/nfs/dbraw/zinc/32/67/81/134326781.db2.gz	SOZFZFSDAYCWHP-BXKDBHETSA-N	0	3	234.274	1.964	10	30		BDEEHN
N#Cc1cccc(CN2CC[C@H](CCO)C2)c1	ZINC000227570058	134383396	/nfs/dbraw/zinc/38/33/96/134383396.db2.gz	YAKQVEZJRLWEDV-GFCCVEGCSA-N	0	3	230.311	1.763	10	30		BDEEHN
C=CCCCN(C)C(=O)[C@]1(C)CCCCN1	ZINC000163702721	135072353	/nfs/dbraw/zinc/07/23/53/135072353.db2.gz	DLGQQVOQXBLKIN-ZDUSSCGKSA-N	0	3	224.348	1.943	10	30		BDEEHN
C[C@@H]1CN2CCC[C@H]2CN1C(=O)C1(C#N)CCC1	ZINC000252661846	135094645	/nfs/dbraw/zinc/09/46/45/135094645.db2.gz	QGUDIUAXXCJCOD-NEPJUHHUSA-N	0	3	247.342	1.375	10	30		BDEEHN
CC(C)NC(=O)Nc1ccc(C#CCN)cc1	ZINC000037552760	167077597	/nfs/dbraw/zinc/07/75/97/167077597.db2.gz	WOFPFERBAFQVDR-UHFFFAOYSA-N	0	3	231.299	1.527	10	30		BDEEHN
C#CCNCCn1nc(C)c(Cl)c1C	ZINC000053536475	166187687	/nfs/dbraw/zinc/18/76/87/166187687.db2.gz	LYDLMQNFBXHZJX-UHFFFAOYSA-N	0	3	211.696	1.376	10	30		BDEEHN
C#CCOc1cc2c(cc1CNC1CC1)OCO2	ZINC000042875002	166197617	/nfs/dbraw/zinc/19/76/17/166197617.db2.gz	KACSPQXBKQGUIG-UHFFFAOYSA-N	0	3	245.278	1.679	10	30		BDEEHN
C#CCOc1ccc(CNC2CC2)cc1OC	ZINC000037704504	166198637	/nfs/dbraw/zinc/19/86/37/166198637.db2.gz	CJURLKVFCHJNBV-UHFFFAOYSA-N	0	3	231.295	1.959	10	30		BDEEHN
C#Cc1cccc(NC(=O)[C@H](N)[C@@H](C)CC)c1	ZINC000019439180	166222342	/nfs/dbraw/zinc/22/23/42/166222342.db2.gz	UJROHDYWJBVBEC-GXFFZTMASA-N	0	3	230.311	1.980	10	30		BDEEHN
CC(C)N1C[C@H](NCc2ccc(C#N)o2)[C@@H](C)C1	ZINC000154076319	167033875	/nfs/dbraw/zinc/03/38/75/167033875.db2.gz	RERNFKFZCDBLHS-FZMZJTMJSA-N	0	3	247.342	1.970	10	30		BDEEHN
CC(C)NC(=O)c1cc(C#CCN)ccc1F	ZINC000037569834	167086026	/nfs/dbraw/zinc/08/60/26/167086026.db2.gz	JRVXKFRHABWTLD-UHFFFAOYSA-N	0	3	234.274	1.274	10	30		BDEEHN
CC(C)NC1(C#N)CCN(C(C)C)CC1	ZINC000034973838	167093081	/nfs/dbraw/zinc/09/30/81/167093081.db2.gz	IBWLVRLYBKPNMN-UHFFFAOYSA-N	0	3	209.337	1.751	10	30		BDEEHN
CC(C)[C@@H](CN(C)C)NC(=O)C(C)(C)C#N	ZINC000044752705	167394950	/nfs/dbraw/zinc/39/49/50/167394950.db2.gz	QMPVMQSXTKRUFR-SNVBAGLBSA-N	0	3	225.336	1.239	10	30		BDEEHN
CCC(=O)Nc1ccccc1C#CCN	ZINC000037471180	168246998	/nfs/dbraw/zinc/24/69/98/168246998.db2.gz	OYOCLIMTAMLHDV-UHFFFAOYSA-N	0	3	202.257	1.345	10	30		BDEEHN
CCC(C)(C)NC(=O)c1cncc(C#CCN)c1	ZINC000049629234	168297836	/nfs/dbraw/zinc/29/78/36/168297836.db2.gz	NPFYUXAFLCZBDN-UHFFFAOYSA-N	0	3	245.326	1.310	10	30		BDEEHN
CCNC(C)(C)C(=O)Nc1ccc(C#N)cc1	ZINC000061287644	170107534	/nfs/dbraw/zinc/10/75/34/170107534.db2.gz	RWQYYNLMVCKPKY-UHFFFAOYSA-N	0	3	231.299	1.885	10	30		BDEEHN
CC[C@@H](CC#N)NC(=O)C1(N)CCCCC1	ZINC000054180004	170810839	/nfs/dbraw/zinc/81/08/39/170810839.db2.gz	WUPHRSUBADBRSA-JTQLQIEISA-N	0	3	223.320	1.456	10	30		BDEEHN
CC[C@H](C)[C@H](N)C(=O)Nc1ccc(C#N)cc1	ZINC000011960826	171396903	/nfs/dbraw/zinc/39/69/03/171396903.db2.gz	BRJMVGUYUNOWQS-CABZTGNLSA-N	0	3	231.299	1.870	10	30		BDEEHN
C=CC[C@H]1CCCN(C(=O)[C@@H](N)CCC)C1	ZINC000662634703	412251650	/nfs/dbraw/zinc/25/16/50/412251650.db2.gz	IFZMOCKZIYIAOQ-RYUDHWBXSA-N	0	3	224.348	1.929	10	30		BDEEHN
CN1CCC(N[C@H]2CCCC[C@@H]2C#N)CC1	ZINC000054824966	172997426	/nfs/dbraw/zinc/99/74/26/172997426.db2.gz	QMWPNMARDJEGSZ-YPMHNXCESA-N	0	3	221.348	1.753	10	30		BDEEHN
CN1CCC[C@@H](Nc2cc(C#N)ccn2)C1	ZINC000040673554	173020569	/nfs/dbraw/zinc/02/05/69/173020569.db2.gz	PHVGWTICQOLSBA-LLVKDONJSA-N	0	3	216.288	1.459	10	30		BDEEHN
COCCCOCc1ccccc1C#CCN	ZINC000049610296	174255211	/nfs/dbraw/zinc/25/52/11/174255211.db2.gz	UYPTXIKXCOTYGA-UHFFFAOYSA-N	0	3	233.311	1.550	10	30		BDEEHN
COc1cccc([C@H](CN)N(C)C[C@H](C)C#N)c1	ZINC000043028247	175294159	/nfs/dbraw/zinc/29/41/59/175294159.db2.gz	PWXOLOBBEKANAN-RISCZKNCSA-N	0	3	247.342	1.786	10	30		BDEEHN
C[C@@H](N)C(=O)Nc1ccc(CC#N)cc1	ZINC000035222944	175799518	/nfs/dbraw/zinc/79/95/18/175799518.db2.gz	SLIDFTPOIRRPNE-MRVPVSSYSA-N	0	3	203.245	1.038	10	30		BDEEHN
C[C@@H]1CCCN1C(=O)c1sccc1C#CCN	ZINC000104300340	176107587	/nfs/dbraw/zinc/10/75/87/176107587.db2.gz	MKOYHPYIMBSGMS-SNVBAGLBSA-N	0	3	248.351	1.683	10	30		BDEEHN
C[C@H](CN[C@H](C)c1ccc(C#N)cc1)C(N)=O	ZINC000037749474	176684050	/nfs/dbraw/zinc/68/40/50/176684050.db2.gz	JPFFNDILWMVLJO-NXEZZACHSA-N	0	3	231.299	1.330	10	30		BDEEHN
C[C@H]1CCCN1C(=O)c1cncc(C#CCN)c1	ZINC000049629561	177108794	/nfs/dbraw/zinc/10/87/94/177108794.db2.gz	BUPSJRFCODIWCR-NSHDSACASA-N	0	3	243.310	1.016	10	30		BDEEHN
C[C@H]1CN(Cc2ccc(C#CCN)cc2)CCO1	ZINC000049608492	177262608	/nfs/dbraw/zinc/26/26/08/177262608.db2.gz	RNHWRCPATUTJLU-ZDUSSCGKSA-N	0	3	244.338	1.218	10	30		BDEEHN
C[C@H]1C[C@H](Nc2nccc(C#N)n2)CN1C1CC1	ZINC000297612459	177372397	/nfs/dbraw/zinc/37/23/97/177372397.db2.gz	VRLJUTWZZZVJGD-ONGXEEELSA-N	0	3	243.314	1.385	10	30		BDEEHN
CCC[C@@H](C(=O)N1CCC(C#N)CC1)N(C)C	ZINC000126536770	324702822	/nfs/dbraw/zinc/70/28/22/324702822.db2.gz	IPJBGGCRMJSMBH-LBPRGKRZSA-N	0	3	237.347	1.479	10	30		BDEEHN
N#Cc1ccncc1N1CCN2CCC[C@H]2C1	ZINC000252501236	490275094	/nfs/dbraw/zinc/27/50/94/490275094.db2.gz	BGHPECJUNTYUPG-LBPRGKRZSA-N	0	3	228.299	1.238	10	30		BDEEHN
N#Cc1c(-c2cccc(O)c2)c[nH]c1NC=N	ZINC000090587438	526516013	/nfs/dbraw/zinc/51/60/13/526516013.db2.gz	SLQSTHIRPGOYKO-UHFFFAOYSA-N	0	3	226.239	1.877	10	30		BDEEHN
CC(C)(C#N)CCCCN1C[C@@H](O)C[C@@H]1CO	ZINC000373068984	534981369	/nfs/dbraw/zinc/98/13/69/534981369.db2.gz	HSKYZUVQKIOVRO-NEPJUHHUSA-N	0	3	240.347	1.134	10	30		BDEEHN
COC1CC(NCC#Cc2ccccc2)C1	ZINC000234677679	631660688	/nfs/dbraw/zinc/66/06/88/631660688.db2.gz	OINLVRLFYMEHHU-UHFFFAOYSA-N	0	3	215.296	1.805	10	30		BDEEHN
C#CCCNCc1ccc(OC)cc1F	ZINC000228598316	640884170	/nfs/dbraw/zinc/88/41/70/640884170.db2.gz	PXBFHPSUYDIDFL-UHFFFAOYSA-N	0	3	207.248	1.947	10	30		BDEEHN
C#CCC(C)(C)C(=O)N[C@@H]1CCCN(CC)C1	ZINC000185249813	711905435	/nfs/dbraw/zinc/90/54/35/711905435.db2.gz	MDZZQXGLTIEWIN-GFCCVEGCSA-N	0	3	236.359	1.636	10	30		BDEEHN
C[C@@H](C(N)=O)N(C)CCCC(C)(C)C#N	ZINC000711139372	712285418	/nfs/dbraw/zinc/28/54/18/712285418.db2.gz	CFRUYSDNFPZRKZ-VIFPVBQESA-N	0	3	211.309	1.122	10	30		BDEEHN
C=CCC[C@@H](C)N[C@H](C)c1cn(C)nn1	ZINC000720577540	712853647	/nfs/dbraw/zinc/85/36/47/712853647.db2.gz	VOJUERKBNCQIDA-NXEZZACHSA-N	0	3	208.309	1.820	10	30		BDEEHN
Cc1cc(N2CCCC2=O)ccc1C#CCN	ZINC000037556815	178111945	/nfs/dbraw/zinc/11/19/45/178111945.db2.gz	JXYSAFRKFXKFPM-UHFFFAOYSA-N	0	3	228.295	1.432	10	30		BDEEHN
CNC(=NN)c1ccc(Cl)c(Cl)c1	ZINC000042035138	361927040	/nfs/dbraw/zinc/92/70/40/361927040.db2.gz	QSVWWORLRYBDJS-UHFFFAOYSA-N	0	3	218.087	1.833	10	30		BDEEHN
CC(C#N)S(=O)(=O)c1cccs1	ZINC000043522830	343125776	/nfs/dbraw/zinc/12/57/76/343125776.db2.gz	XGJWVGAXAHDUKA-ZCFIWIBFSA-N	0	3	201.272	1.434	10	30		BDEEHN
N#CCCOCCN1CCN2CCCC[C@H]2C1	ZINC000339037745	136271155	/nfs/dbraw/zinc/27/11/55/136271155.db2.gz	VQAOFSMULRNJPA-ZDUSSCGKSA-N	0	3	237.347	1.087	10	30		BDEEHN
N#CCCOCCN1CCN2CCCC[C@@H]2C1	ZINC000339037744	136271411	/nfs/dbraw/zinc/27/14/11/136271411.db2.gz	VQAOFSMULRNJPA-CYBMUJFWSA-N	0	3	237.347	1.087	10	30		BDEEHN
C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2C#N)CCO1	ZINC000069891104	343293669	/nfs/dbraw/zinc/29/36/69/343293669.db2.gz	BYUXQIRWYPVZJZ-DDHJBXDOSA-N	0	3	208.305	1.836	10	30		BDEEHN
NN=C(N)c1cccc(C(F)(F)F)c1	ZINC000042013312	343428222	/nfs/dbraw/zinc/42/82/22/343428222.db2.gz	XNHCRAWVLVRPHR-UHFFFAOYSA-N	0	3	203.167	1.284	10	30		BDEEHN
N#C[C@@H]1CCCC[C@H]1N[C@H]1CCNC(=O)CC1	ZINC000396745737	349811899	/nfs/dbraw/zinc/81/18/99/349811899.db2.gz	YLMVKTFSLJFLOY-QJPTWQEYSA-N	0	3	235.331	1.327	10	30		BDEEHN
C[C@@H]1C[C@H](O)CCN1CC1(CC#N)CC1	ZINC000602930991	349822673	/nfs/dbraw/zinc/82/26/73/349822673.db2.gz	QIDPBCTYUOWMMY-GHMZBOCLSA-N	0	3	208.305	1.525	10	30		BDEEHN
N#C[C@H](c1ccccc1Cl)N1CC(N)C1	ZINC000409439848	343853384	/nfs/dbraw/zinc/85/33/84/343853384.db2.gz	JDTBYQLZLCKTLP-LLVKDONJSA-N	0	3	221.691	1.548	10	30		BDEEHN
N#C[C@@H](c1ccccc1Cl)N1CC(N)C1	ZINC000409439849	343853433	/nfs/dbraw/zinc/85/34/33/343853433.db2.gz	JDTBYQLZLCKTLP-NSHDSACASA-N	0	3	221.691	1.548	10	30		BDEEHN
C#CCn1ccn2nc(C3CC3)c(CN)c12	ZINC000409438908	343846050	/nfs/dbraw/zinc/84/60/50/343846050.db2.gz	PKPJNUPARPJKRB-UHFFFAOYSA-N	0	3	214.272	1.105	10	30		BDEEHN
C#CCOc1ccccc1CNCCN(C)C	ZINC000020083559	166200453	/nfs/dbraw/zinc/20/04/53/166200453.db2.gz	YYWHLPKGSRYEHW-UHFFFAOYSA-N	0	3	232.327	1.350	10	30		BDEEHN
CC#CCN1C[C@H]2CCCCN2C[C@@H]1C	ZINC000126261157	344172849	/nfs/dbraw/zinc/17/28/49/344172849.db2.gz	ZEHCVNWQURHHJP-QWHCGFSZSA-N	0	3	206.333	1.568	10	30		BDEEHN
COC1CC(N[C@@H]2CCCC[C@@H]2C#N)C1	ZINC000234735400	344238060	/nfs/dbraw/zinc/23/80/60/344238060.db2.gz	RXJBHUNCNHPGLD-HBIQZDMRSA-N	0	3	208.305	1.836	10	30		BDEEHN
Cc1ccc([C@@H](C)NC(=O)C(C)C#N)o1	ZINC000044825355	344551046	/nfs/dbraw/zinc/55/10/46/344551046.db2.gz	TYRFXWGGBXJFJW-IONNQARKSA-N	0	3	206.245	1.925	10	30		BDEEHN
CN(C)C[C@@H](NC(=O)CC#N)c1ccccc1	ZINC000120605446	344895799	/nfs/dbraw/zinc/89/57/99/344895799.db2.gz	MLONIDGPWFZZFL-GFCCVEGCSA-N	0	3	231.299	1.319	10	30		BDEEHN
C#CCN[C@H]1CCCCCC[C@@H]1C(=O)OC	ZINC000390496741	259391026	/nfs/dbraw/zinc/39/10/26/259391026.db2.gz	SGHBMOKTZYRJAL-RYUDHWBXSA-N	0	3	223.316	1.721	10	30		BDEEHN
Cc1cc(NC(N)=NN)ccc1Br	ZINC000164582090	346610766	/nfs/dbraw/zinc/61/07/66/346610766.db2.gz	PAACGTRCTQAVBD-UHFFFAOYSA-N	0	3	243.108	1.358	10	30		BDEEHN
Cc1cc(Br)ccc1NC(N)=NN	ZINC000164580502	346611045	/nfs/dbraw/zinc/61/10/45/346611045.db2.gz	RGZQCKBVJYMNMQ-UHFFFAOYSA-N	0	3	243.108	1.358	10	30		BDEEHN
N#Cc1cc2c(nc1N)CCN(C1CC1)C2	ZINC000725244764	537997077	/nfs/dbraw/zinc/99/70/77/537997077.db2.gz	AZGJNPBRIRCWCV-UHFFFAOYSA-N	0	3	214.272	1.056	10	30		BDEEHN
N#C[C@H]1CCC[C@@H]1N[C@@H]1CCCC[C@H]1O	ZINC000594669526	348096017	/nfs/dbraw/zinc/09/60/17/348096017.db2.gz	DTJRSZAKDHUXQH-WRWGMCAJSA-N	0	3	208.305	1.572	10	30		BDEEHN
CC#CCN(C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000119108263	348200690	/nfs/dbraw/zinc/20/06/90/348200690.db2.gz	LLGWERHINXWCAQ-CYBMUJFWSA-N	0	3	244.342	1.401	10	30		BDEEHN
C[C@@H]1CN2CCCC[C@H]2CN1CCC=O	ZINC000251747583	362904887	/nfs/dbraw/zinc/90/48/87/362904887.db2.gz	LDVFOUNGXSOFMW-NEPJUHHUSA-N	0	3	210.321	1.134	10	30		BDEEHN
CC(C)N1CCNC[C@@H]1c1ccccc1C#N	ZINC000616637785	351134213	/nfs/dbraw/zinc/13/42/13/351134213.db2.gz	RHQDQAULQUYEIP-CQSZACIVSA-N	0	3	229.327	1.913	10	30		BDEEHN
CCN1CCOC[C@H](c2cccc(C#N)c2)C1	ZINC000616659404	351207087	/nfs/dbraw/zinc/20/70/87/351207087.db2.gz	JNINEBHHYTYINE-CQSZACIVSA-N	0	3	230.311	1.994	10	30		BDEEHN
N#Cc1cccc([C@@H]2CCOCCN2)c1	ZINC000616659571	351207873	/nfs/dbraw/zinc/20/78/73/351207873.db2.gz	PGMNEGOIBYORFH-LBPRGKRZSA-N	0	3	202.257	1.609	10	30		BDEEHN
C(CN1CCO[C@@H]2CCCC[C@H]21)[C@@H]1CO1	ZINC000307021487	351429721	/nfs/dbraw/zinc/42/97/21/351429721.db2.gz	XCNPSEJSQAYHKH-IJLUTSLNSA-N	0	3	211.305	1.419	10	30		BDEEHN
C=CC[C@H]1CCN(C(=O)[C@H](N)CCC)C1	ZINC000638472071	352281851	/nfs/dbraw/zinc/28/18/51/352281851.db2.gz	OFQKWJVHHCLGEE-WDEREUQCSA-N	0	3	210.321	1.538	10	30		BDEEHN
CC[C@H](C#N)C(=O)N[C@@H]1CCCN(CC)C1	ZINC000044825280	352442781	/nfs/dbraw/zinc/44/27/81/352442781.db2.gz	AXIPQRBEJMSDAB-GHMZBOCLSA-N	0	3	223.320	1.137	10	30		BDEEHN
Cc1c(Br)cccc1NC(N)=NN	ZINC000232257125	352584036	/nfs/dbraw/zinc/58/40/36/352584036.db2.gz	VNHXPXAOMNBKOC-UHFFFAOYSA-N	0	3	243.108	1.358	10	30		BDEEHN
CC#CCOc1cc2c(cc1CN)OCO2	ZINC000051662632	188577968	/nfs/dbraw/zinc/57/79/68/188577968.db2.gz	RUPYTAHAPHXPQL-UHFFFAOYSA-N	0	3	219.240	1.276	10	30		BDEEHN
N#Cc1cc(C(F)(F)F)cc(CN)n1	ZINC000095766644	181084565	/nfs/dbraw/zinc/08/45/65/181084565.db2.gz	YBYCOCSOTCLTEC-UHFFFAOYSA-N	0	3	201.151	1.431	10	30		BDEEHN
N#Cc1ccc(CN2CC[C@H](CCO)C2)cc1F	ZINC000361827471	181104966	/nfs/dbraw/zinc/10/49/66/181104966.db2.gz	CKHYFFRKPUYVMP-LLVKDONJSA-N	0	3	248.301	1.902	10	30		BDEEHN
CC[C@H](C)[C@@H](N)C(=O)Nc1cccc(C#N)c1	ZINC000161195764	363392191	/nfs/dbraw/zinc/39/21/91/363392191.db2.gz	SQQIIYQVEBZLJN-JOYOIKCWSA-N	0	3	231.299	1.870	10	30		BDEEHN
N#Cc1ncccc1CN[C@@H]1CCN2CCC[C@H]12	ZINC000061658455	181170808	/nfs/dbraw/zinc/17/08/08/181170808.db2.gz	LRRHAENRYJBMBP-TZMCWYRMSA-N	0	3	242.326	1.280	10	30		BDEEHN
CN(C1=CC(=O)CC1)[C@@H]1CCCN(C)C1	ZINC000160235383	355355357	/nfs/dbraw/zinc/35/53/57/355355357.db2.gz	KHPPPXVVBIWJRA-LLVKDONJSA-N	0	3	208.305	1.259	10	30		BDEEHN
C=C(Cl)CN[C@H]1CCN2CCC[C@@H]12	ZINC000219280724	357383059	/nfs/dbraw/zinc/38/30/59/357383059.db2.gz	FKYCATNDPKKTTL-UWVGGRQHSA-N	0	3	200.713	1.565	10	30		BDEEHN
CC[C@H](C#N)C(=O)N1C[C@H]2CCCN2C[C@@H]1C	ZINC000094460726	357663352	/nfs/dbraw/zinc/66/33/52/357663352.db2.gz	DXQRNGCPKAAAKZ-QJPTWQEYSA-N	0	3	235.331	1.231	10	30		BDEEHN
CCOC1CC(N[C@@H]2CCC[C@H]2C#N)C1	ZINC000169197774	134249323	/nfs/dbraw/zinc/24/93/23/134249323.db2.gz	XKEKNPXIUOGCMH-WNYYMSAVSA-N	0	3	208.305	1.836	10	30		BDEEHN
CCCN1CCN(c2ccc(C#N)cc2N)CC1	ZINC000035674195	358090109	/nfs/dbraw/zinc/09/01/09/358090109.db2.gz	GXLDPPWTNNDTPZ-UHFFFAOYSA-N	0	3	244.342	1.672	10	30		BDEEHN
CN1CCC[C@@H](COc2cc(N)ncc2C#N)C1	ZINC000584632712	358315258	/nfs/dbraw/zinc/31/52/58/358315258.db2.gz	JSVUUCRCKFXXHG-SNVBAGLBSA-N	0	3	246.314	1.086	10	30		BDEEHN
C[C@@H]1OCC[C@@H]1NCC#Cc1ccccc1	ZINC000134541727	358794703	/nfs/dbraw/zinc/79/47/03/358794703.db2.gz	HUJCCSKYPRDWHN-JSGCOSHPSA-N	0	3	215.296	1.805	10	30		BDEEHN
NCC#Cc1ccccc1C(=O)NCC1CC1	ZINC000037569991	181345890	/nfs/dbraw/zinc/34/58/90/181345890.db2.gz	ZAGSDXZLSSMLKP-UHFFFAOYSA-N	0	3	228.295	1.137	10	30		BDEEHN
NCC#Cc1cccc(OC[C@@H]2CCOC2)c1	ZINC000049689766	181346516	/nfs/dbraw/zinc/34/65/16/181346516.db2.gz	JLYQLAAQUOZBLN-CYBMUJFWSA-N	0	3	231.295	1.412	10	30		BDEEHN
NCC#Cc1ccccc1OCCn1cccn1	ZINC000049326289	181348080	/nfs/dbraw/zinc/34/80/80/181348080.db2.gz	GAPRJSHROUVADZ-UHFFFAOYSA-N	0	3	241.294	1.272	10	30		BDEEHN
N#CCC[C@H](C#N)CN[C@@H]1CCC[C@H](O)C1	ZINC000309558336	370229565	/nfs/dbraw/zinc/22/95/65/370229565.db2.gz	INPGXZHSFXCTIJ-UTUOFQBUSA-N	0	3	221.304	1.323	10	30		BDEEHN
CC(C)(C=O)CN1CCO[C@H]2CCC[C@H]21	ZINC000227020671	371767762	/nfs/dbraw/zinc/76/77/62/371767762.db2.gz	DDFDBWSKBIQVEQ-MNOVXSKESA-N	0	3	211.305	1.465	10	30		BDEEHN
C#C[C@H](NC)[C@@H]1SCCS[C@@H]1CC	ZINC000228159088	371998677	/nfs/dbraw/zinc/99/86/77/371998677.db2.gz	JKFJOIQHSZWWNP-AEJSXWLSSA-N	0	3	215.387	1.835	10	30		BDEEHN
NN=C(N)Nc1cccc(Br)c1	ZINC000164585367	372168834	/nfs/dbraw/zinc/16/88/34/372168834.db2.gz	HJUJAQSYKTTYDO-UHFFFAOYSA-N	0	3	229.081	1.049	10	30		BDEEHN
NN=C(N)Nc1ccccc1Br	ZINC000164585220	372168958	/nfs/dbraw/zinc/16/89/58/372168958.db2.gz	NGURKTJOGUVQRP-UHFFFAOYSA-N	0	3	229.081	1.049	10	30		BDEEHN
CC(C)(N)C(=O)N(CC#N)Cc1ccccc1	ZINC000040924405	373926466	/nfs/dbraw/zinc/92/64/66/373926466.db2.gz	RHQHMBLMAWHKTD-UHFFFAOYSA-N	0	3	231.299	1.276	10	30		BDEEHN
C=C(C)CN[C@H]1CCCC[C@@H]1NS(C)(=O)=O	ZINC000381145516	373928527	/nfs/dbraw/zinc/92/85/27/373928527.db2.gz	NPHFVMCRDFTHQI-QWRGUYRKSA-N	0	3	246.376	1.013	10	30		BDEEHN
OCC#Cc1cc(F)ccc1CN1CCCC1	ZINC000049615599	183032528	/nfs/dbraw/zinc/03/25/28/183032528.db2.gz	LOCJWNJFWPBUGU-UHFFFAOYSA-N	0	3	233.286	1.765	10	30		BDEEHN
CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)N	ZINC000037809157	169176332	/nfs/dbraw/zinc/17/63/32/169176332.db2.gz	BZOWXNLEWGAEQB-NSHDSACASA-N	0	3	245.326	1.644	10	30		BDEEHN
CCC[C@@H](N)C(=O)N(C)Cc1ccc(C#N)cc1	ZINC000037808422	169387299	/nfs/dbraw/zinc/38/72/99/169387299.db2.gz	OWOMXDJMWPUVDJ-CYBMUJFWSA-N	0	3	245.326	1.644	10	30		BDEEHN
CO[C@@H]1C[C@H](CO)N(Cc2ccc(C#N)cc2)C1	ZINC000343992212	383903950	/nfs/dbraw/zinc/90/39/50/383903950.db2.gz	VNFVXWMPOSZIFX-ZIAGYGMSSA-N	0	3	246.310	1.140	10	30		BDEEHN
C#CCCN1C[C@H]2CCCCN2C[C@H]1CC	ZINC000086929627	533058740	/nfs/dbraw/zinc/05/87/40/533058740.db2.gz	AYNLTJCMJQEIQT-ZIAGYGMSSA-N	0	3	220.360	1.958	10	30		BDEEHN
C=C(C)CN1CCCN(c2cccnn2)CC1	ZINC000105909111	384888933	/nfs/dbraw/zinc/88/89/33/384888933.db2.gz	CSDXMWSZZHKFKE-UHFFFAOYSA-N	0	3	232.331	1.565	10	30		BDEEHN
Cc1cc(N2CCN[C@H](C)C2)cc(C#N)n1	ZINC000308244727	385413516	/nfs/dbraw/zinc/41/35/16/385413516.db2.gz	PQUICNLRPUOJLR-SNVBAGLBSA-N	0	3	216.288	1.060	10	30		BDEEHN
C=C(Br)CN[C@@H]1CCCC[C@@H]1O	ZINC000052013778	385612166	/nfs/dbraw/zinc/61/21/66/385612166.db2.gz	ZCUXZBQVSABKFV-BDAKNGLRSA-N	0	3	234.137	1.788	10	30		BDEEHN
CCN1CCC[C@@H](Nc2nc(C)cc(C#N)n2)C1	ZINC000231898447	385854075	/nfs/dbraw/zinc/85/40/75/385854075.db2.gz	UOSDJRNKBGNHSL-LLVKDONJSA-N	0	3	245.330	1.553	10	30		BDEEHN
N#Cc1c(Br)cccc1CN	ZINC000260623172	385917896	/nfs/dbraw/zinc/91/78/96/385917896.db2.gz	ZYBFVEULJICLQD-UHFFFAOYSA-N	0	3	211.062	1.779	10	30		BDEEHN
CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@H]1C#N)N(C)C	ZINC000408368409	386395620	/nfs/dbraw/zinc/39/56/20/386395620.db2.gz	HVHUOKFVPWXTRP-TUAOUCFPSA-N	0	3	237.347	1.381	10	30		BDEEHN
C[C@H]1CC[C@H](O)CN1Cc1cccc(C#N)c1	ZINC000399196140	386412588	/nfs/dbraw/zinc/41/25/88/386412588.db2.gz	LSQIHBZEYPTNLN-FZMZJTMJSA-N	0	3	230.311	1.903	10	30		BDEEHN
C[C@H]1[C@@H](NCC#N)CCN1Cc1ccccc1	ZINC000307416371	386648076	/nfs/dbraw/zinc/64/80/76/386648076.db2.gz	LFZFPOCZSPQVIY-JSGCOSHPSA-N	0	3	229.327	1.763	10	30		BDEEHN
C#CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000575451292	386799052	/nfs/dbraw/zinc/79/90/52/386799052.db2.gz	SFUPMQBSFDUPMB-TZMCWYRMSA-N	0	3	242.322	1.399	10	30		BDEEHN
CC(C#N)C(=O)c1c(Br)cnn1C	ZINC000575481026	387166976	/nfs/dbraw/zinc/16/69/76/387166976.db2.gz	CCAMQQLTYNNUSD-RXMQYKEDSA-N	0	3	242.076	1.525	10	30		BDEEHN
C[C@H]1CSC(NCC2CSC2)=N1	ZINC000575487369	388876083	/nfs/dbraw/zinc/87/60/83/388876083.db2.gz	LPMVWGAKWHMRPK-LURJTMIESA-N	0	3	202.348	1.430	10	30		BDEEHN
C=C(C)C[C@H](C)C(=O)N1CC[C@@H](N(C)C)C1	ZINC000185457053	533534458	/nfs/dbraw/zinc/53/44/58/533534458.db2.gz	GSZGXFXJUFCRRR-NWDGAFQWSA-N	0	3	224.348	1.751	10	30		BDEEHN
N#CCCCN1CCN2CCCC[C@@H]2C1	ZINC000226200909	134361651	/nfs/dbraw/zinc/36/16/51/134361651.db2.gz	UKOOEIHCAJYTSH-GFCCVEGCSA-N	0	3	207.321	1.460	10	30		BDEEHN
N#Cc1cccc(CN2CC[C@@H](CCO)C2)c1	ZINC000227570054	134383244	/nfs/dbraw/zinc/38/32/44/134383244.db2.gz	YAKQVEZJRLWEDV-LBPRGKRZSA-N	0	3	230.311	1.763	10	30		BDEEHN
C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2C#N)CCO1	ZINC000251719877	135075350	/nfs/dbraw/zinc/07/53/50/135075350.db2.gz	BYUXQIRWYPVZJZ-WRWGMCAJSA-N	0	3	208.305	1.836	10	30		BDEEHN
C[C@H]1[C@H](O)CCCN1Cc1cccc(C#N)c1	ZINC000294930697	398102228	/nfs/dbraw/zinc/10/22/28/398102228.db2.gz	GFJFANWDGVHLNX-SMDDNHRTSA-N	0	3	230.311	1.903	10	30		BDEEHN
CC(C)NC(=O)c1ccc(C#CCN)s1	ZINC000040233709	167088919	/nfs/dbraw/zinc/08/89/19/167088919.db2.gz	UCCZXUHIZAZEGP-UHFFFAOYSA-N	0	3	222.313	1.197	10	30		BDEEHN
C#CCNCCn1ccc2cc(OC)ccc21	ZINC000053527467	166187622	/nfs/dbraw/zinc/18/76/22/166187622.db2.gz	IEHPAMBOXLLWBL-UHFFFAOYSA-N	0	3	228.295	1.873	10	30		BDEEHN
C=CCN1C[C@@H](N)c2cc([N+](=O)[O-])ccc21	ZINC000019795910	166358551	/nfs/dbraw/zinc/35/85/51/166358551.db2.gz	FLZMUGBUVPGDTM-SNVBAGLBSA-N	0	3	219.244	1.601	10	30		BDEEHN
CC(C)NC(=O)c1cccc(C#CCN)c1	ZINC000037473210	167088521	/nfs/dbraw/zinc/08/85/21/167088521.db2.gz	MPRWQUSLSGXWBV-UHFFFAOYSA-N	0	3	216.284	1.135	10	30		BDEEHN
CC(C)OCCOc1ccc(C#CCN)cc1	ZINC000049260988	167249407	/nfs/dbraw/zinc/24/94/07/167249407.db2.gz	GKIJQBNVQQSOPO-UHFFFAOYSA-N	0	3	233.311	1.801	10	30		BDEEHN
C=C[C@H](CO)NC[C@H]1CCCCC1(F)F	ZINC000662168448	411371936	/nfs/dbraw/zinc/37/19/36/411371936.db2.gz	HBPXXIDRNWFIQA-NXEZZACHSA-N	0	3	219.275	1.948	10	30		BDEEHN
CCC(=O)Nc1ccc(C#CCN)cc1C	ZINC000037471238	168243836	/nfs/dbraw/zinc/24/38/36/168243836.db2.gz	MBJGGJOIOLYMAR-UHFFFAOYSA-N	0	3	216.284	1.654	10	30		BDEEHN
CCNCC(=O)N(C)c1ccc(C#N)cc1	ZINC000061980533	170109889	/nfs/dbraw/zinc/10/98/89/170109889.db2.gz	VIVRFIIMRIKLFJ-UHFFFAOYSA-N	0	3	217.272	1.131	10	30		BDEEHN
CCOCC(=O)Nc1ccc(C)c(C#CCN)c1	ZINC000104069409	170347790	/nfs/dbraw/zinc/34/77/90/170347790.db2.gz	QGDIINOOJUWTFS-UHFFFAOYSA-N	0	3	246.310	1.280	10	30		BDEEHN
CC[C@H](C#N)Oc1cc(CN)ccc1[N+](=O)[O-]	ZINC000050516073	171219327	/nfs/dbraw/zinc/21/93/27/171219327.db2.gz	SDHPGXGSMLYCGP-SECBINFHSA-N	0	3	235.243	1.734	10	30		BDEEHN
CC[C@H](C#N)Oc1cc(CNC)ccc1[N+](=O)[O-]	ZINC000050516630	171219546	/nfs/dbraw/zinc/21/95/46/171219546.db2.gz	IPBUKSUQEMYIME-SNVBAGLBSA-N	0	3	249.270	1.995	10	30		BDEEHN
CC[C@H](C)C(=O)NCc1cccc(C#CCN)c1	ZINC000049586538	171251562	/nfs/dbraw/zinc/25/15/62/171251562.db2.gz	MGPLHXOQVGGYPZ-LBPRGKRZSA-N	0	3	244.338	1.659	10	30		BDEEHN
CC[C@H](C)[C@H](N)C(=O)NCc1cccc(C#N)c1	ZINC000037748655	171394932	/nfs/dbraw/zinc/39/49/32/171394932.db2.gz	CIASJVKNBGTQMC-GWCFXTLKSA-N	0	3	245.326	1.548	10	30		BDEEHN
CC[C@H](C)[C@H](N)C(=O)NCc1ccc(C#N)cc1	ZINC000037748550	171395547	/nfs/dbraw/zinc/39/55/47/171395547.db2.gz	HYKHVIKYMNXVOG-GWCFXTLKSA-N	0	3	245.326	1.548	10	30		BDEEHN
CN1CCN(CC2(C=O)CCCC2)CC1(C)C	ZINC000104138706	173079774	/nfs/dbraw/zinc/07/97/74/173079774.db2.gz	MTYFDZCWRHZMPW-UHFFFAOYSA-N	0	3	238.375	1.772	10	30		BDEEHN
CN(C[C@@H]1CCN(C)C1)c1ncccc1C#N	ZINC000071190190	173112334	/nfs/dbraw/zinc/11/23/34/173112334.db2.gz	JMGNRXQTPAKMMX-LLVKDONJSA-N	0	3	230.315	1.341	10	30		BDEEHN
CNCC(=O)Nc1cc(C#N)ccc1C	ZINC000050430459	173332756	/nfs/dbraw/zinc/33/27/56/173332756.db2.gz	DKXDOQPHKGLYTH-UHFFFAOYSA-N	0	3	203.245	1.025	10	30		BDEEHN
COCCN(CCCC#N)[C@H](C)COC	ZINC000042266270	174291178	/nfs/dbraw/zinc/29/11/78/174291178.db2.gz	FYVVZXRAVKOGSF-LLVKDONJSA-N	0	3	214.309	1.273	10	30		BDEEHN
COCCOCCOc1ccc(C#CCN)cc1	ZINC000049610710	174359662	/nfs/dbraw/zinc/35/96/62/174359662.db2.gz	GRAOTCBWXBTTPU-UHFFFAOYSA-N	0	3	249.310	1.039	10	30		BDEEHN
COc1ccc(C#CCN)cc1COC(C)C	ZINC000049610744	175051256	/nfs/dbraw/zinc/05/12/56/175051256.db2.gz	AAGLMNIVTDFGSH-UHFFFAOYSA-N	0	3	233.311	1.930	10	30		BDEEHN
COc1ccccc1[C@H](CN)N(C)C[C@@H](C)C#N	ZINC000043098321	175353176	/nfs/dbraw/zinc/35/31/76/175353176.db2.gz	XEWOOAFJPLDRSA-AAEUAGOBSA-N	0	3	247.342	1.786	10	30		BDEEHN
C[C@@H](S)[C@H]1NCCc2ccc(O)cc21	ZINC000083663900	176007142	/nfs/dbraw/zinc/00/71/42/176007142.db2.gz	SFSPDSYQCYNMPH-RDDDGLTNSA-N	0	3	209.314	1.897	10	30		BDEEHN
C[C@@](N)(C#N)CN1CCC[C@@H]1C1CCCC1	ZINC000045177220	176510031	/nfs/dbraw/zinc/51/00/31/176510031.db2.gz	NHOVOEXVXLPVOL-CHWSQXEVSA-N	0	3	221.348	1.882	10	30		BDEEHN
C[C@H](CC#N)NC(=O)C[C@H](N)c1ccccc1	ZINC000050392375	176597233	/nfs/dbraw/zinc/59/72/33/176597233.db2.gz	BNSDRYFWVZXFKC-PWSUYJOCSA-N	0	3	231.299	1.495	10	30		BDEEHN
C[C@H](S)[C@H]1NCCc2cc(O)ccc21	ZINC000083660564	177026367	/nfs/dbraw/zinc/02/63/67/177026367.db2.gz	KMIHISHJGUSROS-WRWORJQWSA-N	0	3	209.314	1.897	10	30		BDEEHN
C[C@H]1C[C@H]1NC(=O)c1cc(F)ccc1C#CCN	ZINC000052299609	177384593	/nfs/dbraw/zinc/38/45/93/177384593.db2.gz	LMCFHQIIMRLELQ-TVQRCGJNSA-N	0	3	246.285	1.274	10	30		BDEEHN
C[C@H]1NC(=O)CC[C@@H]1NCc1ccc(C#N)cc1	ZINC000281513899	177393009	/nfs/dbraw/zinc/39/30/09/177393009.db2.gz	AGFWVXXVURVFDB-MFKMUULPSA-N	0	3	243.310	1.315	10	30		BDEEHN
Cc1c(F)cc(C#N)cc1NC(=O)[C@H](C)N	ZINC000037043417	177605315	/nfs/dbraw/zinc/60/53/15/177605315.db2.gz	NQJRQGJFXHPAQS-ZETCQYMHSA-N	0	3	221.235	1.292	10	30		BDEEHN
C=C(C)COCCNC(=O)[C@@H](CCC)N(C)C	ZINC000155637256	326204798	/nfs/dbraw/zinc/20/47/98/326204798.db2.gz	KBMLHWQWZDHBTM-GFCCVEGCSA-N	0	3	242.363	1.426	10	30		BDEEHN
COCC#CCN1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000677820421	487517876	/nfs/dbraw/zinc/51/78/76/487517876.db2.gz	MRVMIFSBMVKRNA-ZIAGYGMSSA-N	0	3	237.343	1.263	10	30		BDEEHN
C=CC[C@H](C)NC(=O)N[C@H]1CCCN(CC)C1	ZINC000117037506	534339203	/nfs/dbraw/zinc/33/92/03/534339203.db2.gz	JZCGPYJWWDBAIR-RYUDHWBXSA-N	0	3	239.363	1.735	10	30		BDEEHN
CN1CCC(C(=O)N[C@@H]2CCC[C@@H]2C#N)CC1	ZINC000259958487	536334641	/nfs/dbraw/zinc/33/46/41/536334641.db2.gz	SGGNGOWRTXDNHF-VXGBXAGGSA-N	0	3	235.331	1.137	10	30		BDEEHN
N#C[C@@H]1CCCC[C@@H]1NC[C@@H](O)C1CC1	ZINC000221514206	583063135	/nfs/dbraw/zinc/06/31/35/583063135.db2.gz	ICSJQYCILJBCES-SDDRHHMPSA-N	0	3	208.305	1.429	10	30		BDEEHN
N#C[C@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@H]1O	ZINC000595693370	583151169	/nfs/dbraw/zinc/15/11/69/583151169.db2.gz	STHNCTOFSRCQCK-YVECIDJPSA-N	0	3	222.332	1.962	10	30		BDEEHN
CO[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]2C#N)C1	ZINC000300361795	592508671	/nfs/dbraw/zinc/50/86/71/592508671.db2.gz	ARBOZNDYPHVVKU-NNYUYHANSA-N	0	3	208.305	1.836	10	30		BDEEHN
C#CCCNCc1cccc2c1OCCO2	ZINC000069768714	631278015	/nfs/dbraw/zinc/27/80/15/631278015.db2.gz	RQVMBOAWTFZZCX-UHFFFAOYSA-N	0	3	217.268	1.571	10	30		BDEEHN
C#CCCCNC(=O)N[C@@H]1CCCN(CC)C1	ZINC000174238082	641259043	/nfs/dbraw/zinc/25/90/43/641259043.db2.gz	RKGFOFQHKMZWFS-GFCCVEGCSA-N	0	3	237.347	1.183	10	30		BDEEHN
C#CCCCCCN[C@H](C)c1cn(C)nn1	ZINC000720609221	712858258	/nfs/dbraw/zinc/85/82/58/712858258.db2.gz	GNDYARYGGMBREQ-LLVKDONJSA-N	0	3	220.320	1.659	10	30		BDEEHN
CN1CCNC[C@H]1c1ccccc1C#N	ZINC000616637757	398213629	/nfs/dbraw/zinc/21/36/29/398213629.db2.gz	QEACLDCANCVMLF-LBPRGKRZSA-N	0	3	201.273	1.134	10	30		BDEEHN
CC(C#N)C(=O)N[C@H](C)c1nccs1	ZINC000070732783	361743998	/nfs/dbraw/zinc/74/39/98/361743998.db2.gz	HHKWKHMJXPPZTD-RNFRBKRXSA-N	0	3	209.274	1.480	10	30		BDEEHN
CC(C#N)C(=O)N[C@@H](C)c1nccs1	ZINC000070732780	361744568	/nfs/dbraw/zinc/74/45/68/361744568.db2.gz	HHKWKHMJXPPZTD-BQBZGAKWSA-N	0	3	209.274	1.480	10	30		BDEEHN
Cc1ccc(C#N)cc1NC(=O)[C@H](C)N	ZINC000050430427	178367784	/nfs/dbraw/zinc/36/77/84/178367784.db2.gz	BXWKNXDEBHGOTB-QMMMGPOBSA-N	0	3	203.245	1.152	10	30		BDEEHN
C=CCN(CCOC)C(=O)C1C2C1C1CCC2C1	ZINC000248963446	136273703	/nfs/dbraw/zinc/27/37/03/136273703.db2.gz	GRCMFFQUGJFZRR-WUHRBBMRSA-N	0	3	249.354	1.940	10	30		BDEEHN
C=C(C)CN1CCCN(Cc2cnn(C)c2)CC1	ZINC000105917541	136363966	/nfs/dbraw/zinc/36/39/66/136363966.db2.gz	WNSNKBBKSYKFIZ-UHFFFAOYSA-N	0	3	248.374	1.504	10	30		BDEEHN
C#C[C@H](NC)[C@@H]1CS[C@@H](C)[C@@H](C)S1	ZINC000234391795	343456615	/nfs/dbraw/zinc/45/66/15/343456615.db2.gz	VVQJHPJQGFESRA-JXUBOQSCSA-N	0	3	215.387	1.833	10	30		BDEEHN
C=C(C)CNC(=O)N[C@@H]1CCCN(CC)C1	ZINC000187897837	259370732	/nfs/dbraw/zinc/37/07/32/259370732.db2.gz	WAFFQGUEQLPVKQ-LLVKDONJSA-N	0	3	225.336	1.346	10	30		BDEEHN
C[C@@](C#N)(Cc1ccccc1)N1CC(N)C1	ZINC000409438104	343849732	/nfs/dbraw/zinc/84/97/32/343849732.db2.gz	CBNAMEYRILVJKD-ZDUSSCGKSA-N	0	3	215.300	1.154	10	30		BDEEHN
C#CCn1nc(-c2ccccc2)cc1CN	ZINC000409443175	343866022	/nfs/dbraw/zinc/86/60/22/343866022.db2.gz	IGCFOMQFRMTQFF-UHFFFAOYSA-N	0	3	211.268	1.642	10	30		BDEEHN
C=CCN[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000037184958	344494084	/nfs/dbraw/zinc/49/40/84/344494084.db2.gz	HPPVAHXAJNREQK-SECBINFHSA-N	0	3	240.328	1.171	10	30		BDEEHN
CCN1CCC[C@@H](Nc2ccc(C#N)nn2)C1	ZINC000158168507	344558398	/nfs/dbraw/zinc/55/83/98/344558398.db2.gz	IYRNJNJHXSHQEP-LLVKDONJSA-N	0	3	231.303	1.244	10	30		BDEEHN
CC#CCCN1CCC[C@@H](NC(=O)CCC)C1	ZINC000155355370	345078622	/nfs/dbraw/zinc/07/86/22/345078622.db2.gz	QRKYCVIXBXNLNW-CYBMUJFWSA-N	0	3	236.359	1.781	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1NC[C@H]1CCC[C@@H](O)C1	ZINC000300360362	345801693	/nfs/dbraw/zinc/80/16/93/345801693.db2.gz	XOKFHYBAKMVQPT-RVMXOQNASA-N	0	3	222.332	1.819	10	30		BDEEHN
CCN1CCC[C@@H]1CN(C)c1nccnc1C#N	ZINC000092631319	347210740	/nfs/dbraw/zinc/21/07/40/347210740.db2.gz	ZZPUHSKFGPZTNZ-LLVKDONJSA-N	0	3	245.330	1.269	10	30		BDEEHN
Cc1ccccc1C(C#N)C(=O)[C@@H]1COCCO1	ZINC000055301955	179315647	/nfs/dbraw/zinc/31/56/47/179315647.db2.gz	RLMLYDVNUAKCQS-OLZOCXBDSA-N	0	3	245.278	1.587	10	30		BDEEHN
N#Cc1c(CN)cccc1OC(F)(F)F	ZINC000616575353	349083786	/nfs/dbraw/zinc/08/37/86/349083786.db2.gz	BQTAUZGPHSMBCL-UHFFFAOYSA-N	0	3	216.162	1.916	10	30		BDEEHN
N#Cc1ccnc([S@@](=O)C[C@H]2CCCCN2)c1	ZINC000095073470	191054497	/nfs/dbraw/zinc/05/44/97/191054497.db2.gz	JSNSJYDNJBCRIS-PIGZYNQJSA-N	0	3	249.339	1.203	10	30		BDEEHN
Cc1nccn1Cc1ccc(C#CCN)cc1	ZINC000049610086	180269074	/nfs/dbraw/zinc/26/90/74/180269074.db2.gz	NSQSEIUVFAKACK-UHFFFAOYSA-N	0	3	225.295	1.550	10	30		BDEEHN
Cc1nn(C)c(NC[C@H]2CCCN(C)C2)c1C#N	ZINC000111350187	180358090	/nfs/dbraw/zinc/35/80/90/180358090.db2.gz	IJSBZEHSYOZKIM-LLVKDONJSA-N	0	3	247.346	1.354	10	30		BDEEHN
SCCN1CCOCC12CCCC2	ZINC000307008687	351416582	/nfs/dbraw/zinc/41/65/82/351416582.db2.gz	HJRNTVMMIQVUNO-UHFFFAOYSA-N	0	3	201.335	1.561	10	30		BDEEHN
CNC(=NN)Nc1cccc(C)c1Cl	ZINC000300949998	363177380	/nfs/dbraw/zinc/17/73/80/363177380.db2.gz	ZISGFGJARNOTTN-UHFFFAOYSA-N	0	3	212.684	1.509	10	30		BDEEHN
CC[C@@H](C#N)C(=O)N[C@@H]1CCCN(CC)C1	ZINC000044825279	352442832	/nfs/dbraw/zinc/44/28/32/352442832.db2.gz	AXIPQRBEJMSDAB-WDEREUQCSA-N	0	3	223.320	1.137	10	30		BDEEHN
C=CCNC[C@@H](O)c1cc(OC)ccc1OC	ZINC000033465988	187720389	/nfs/dbraw/zinc/72/03/89/187720389.db2.gz	LYKDAXWTGUEKPD-GFCCVEGCSA-N	0	3	237.299	1.513	10	30		BDEEHN
N#C[C@@H]1CCCC[C@@H]1NCCCCCO	ZINC000229125600	352591463	/nfs/dbraw/zinc/59/14/63/352591463.db2.gz	FCJCTBAZOLXIEO-RYUDHWBXSA-N	0	3	210.321	1.821	10	30		BDEEHN
C#CCNCc1c[nH]nc1-c1ccc(C)o1	ZINC000037184905	187805455	/nfs/dbraw/zinc/80/54/55/187805455.db2.gz	UNRUJZIXYNDBPK-UHFFFAOYSA-N	0	3	215.256	1.701	10	30		BDEEHN
N=C(N)NN=Cc1sccc1Cl	ZINC000307629959	352711951	/nfs/dbraw/zinc/71/19/51/352711951.db2.gz	NPXWDMGWZGGVMQ-XCVCLJGOSA-N	0	3	202.670	1.218	10	30		BDEEHN
CC(=O)NCCCN[C@H]1CCCC[C@H]1C#N	ZINC000383472481	353246431	/nfs/dbraw/zinc/24/64/31/353246431.db2.gz	DZUQGBBIWMJOTP-RYUDHWBXSA-N	0	3	223.320	1.185	10	30		BDEEHN
CC(=O)NCCCN[C@@H]1CCCC[C@H]1C#N	ZINC000383472477	353246603	/nfs/dbraw/zinc/24/66/03/353246603.db2.gz	DZUQGBBIWMJOTP-NWDGAFQWSA-N	0	3	223.320	1.185	10	30		BDEEHN
N#CC1(NCc2cccs2)CCNCC1	ZINC000040695169	181030214	/nfs/dbraw/zinc/03/02/14/181030214.db2.gz	OZKZCYLZBQUNPS-UHFFFAOYSA-N	0	3	221.329	1.483	10	30		BDEEHN
N#CCN(CC#N)[C@H](CN)c1cccc(F)c1	ZINC000042971059	181040257	/nfs/dbraw/zinc/04/02/57/181040257.db2.gz	SHPZYANODCEFSX-GFCCVEGCSA-N	0	3	232.262	1.175	10	30		BDEEHN
N#CC(Cc1ccc(Cl)cc1)C(N)=O	ZINC000075617022	181064142	/nfs/dbraw/zinc/06/41/42/181064142.db2.gz	YXTVZHDZURKOKC-QMMMGPOBSA-N	0	3	208.648	1.508	10	30		BDEEHN
N#C[C@@H]1CCCC[C@@H]1NC1CCC(C(N)=O)CC1	ZINC000054825985	181058373	/nfs/dbraw/zinc/05/83/73/181058373.db2.gz	NFDKXEHFLOCQFJ-MVKMKZAISA-N	0	3	249.358	1.702	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1NCCN1CCCCC1	ZINC000054827338	181059838	/nfs/dbraw/zinc/05/98/38/181059838.db2.gz	SAGLGQIWNSXHOV-STQMWFEESA-N	0	3	221.348	1.754	10	30		BDEEHN
N#Cc1ccc(CN[C@@H]2CCC[C@@H]2O)cc1	ZINC000037749115	181109231	/nfs/dbraw/zinc/10/92/31/181109231.db2.gz	OEGVPLXXTHRJJZ-OLZOCXBDSA-N	0	3	216.284	1.561	10	30		BDEEHN
N#Cc1ccccc1CN[C@@H]1CCCC[C@@H]1O	ZINC000052013040	181145069	/nfs/dbraw/zinc/14/50/69/181145069.db2.gz	GEMDYTPWSXRLDB-KGLIPLIRSA-N	0	3	230.311	1.951	10	30		BDEEHN
C=CCNCC(=O)NCc1ccccc1OC	ZINC000095081796	166398514	/nfs/dbraw/zinc/39/85/14/166398514.db2.gz	HEMSKYXEIOVKOJ-UHFFFAOYSA-N	0	3	234.299	1.087	10	30		BDEEHN
N#Cc1ncccc1CNC[C@H]1CCOC1	ZINC000061657895	181170553	/nfs/dbraw/zinc/17/05/53/181170553.db2.gz	ZRYGLRLWVQPEFD-SNVBAGLBSA-N	0	3	217.272	1.079	10	30		BDEEHN
C[C@@H]1[C@@H](O)CCCN1CC1(CC#N)CC1	ZINC000384843773	356770426	/nfs/dbraw/zinc/77/04/26/356770426.db2.gz	AGDIDBWMSCFWBX-MNOVXSKESA-N	0	3	208.305	1.525	10	30		BDEEHN
N/C(=N/O)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000070663333	361706637	/nfs/dbraw/zinc/70/66/37/361706637.db2.gz	KAESBAKIUKFGIM-GFCCVEGCSA-N	0	3	233.315	1.645	10	30		BDEEHN
CC#CCCN1CCN(CCOCC)[C@@H](C)C1	ZINC000155463046	201332773	/nfs/dbraw/zinc/33/27/73/201332773.db2.gz	WEQZVRCWFVQURY-AWEZNQCLSA-N	0	3	238.375	1.442	10	30		BDEEHN
NCC#Cc1ccc(C(=O)N2CCCC2)s1	ZINC000040233690	181346713	/nfs/dbraw/zinc/34/67/13/181346713.db2.gz	ILNOBKGOWBJHNW-UHFFFAOYSA-N	0	3	234.324	1.294	10	30		BDEEHN
NCC#Cc1ccc(F)cc1C(=O)NCC1CC1	ZINC000037569994	181346423	/nfs/dbraw/zinc/34/64/23/181346423.db2.gz	GVYNDQBJFSEMGK-UHFFFAOYSA-N	0	3	246.285	1.276	10	30		BDEEHN
C#C[C@H](NC)[C@H]1SCCS[C@H]1C	ZINC000252724500	367895537	/nfs/dbraw/zinc/89/55/37/367895537.db2.gz	XMLGBHVHIZCTMR-CIUDSAMLSA-N	0	3	201.360	1.445	10	30		BDEEHN
Cc1nccn1CCN[C@@H]1CCC[C@@H]1C#N	ZINC000390570145	371216907	/nfs/dbraw/zinc/21/69/07/371216907.db2.gz	NAPRPHJUAZCTBL-VXGBXAGGSA-N	0	3	218.304	1.473	10	30		BDEEHN
C=C(C)CC(=O)[C@H]1CN(C)CCCN1C	ZINC000132260811	371777935	/nfs/dbraw/zinc/77/79/35/371777935.db2.gz	JVLPQAKTCIFGAR-LLVKDONJSA-N	0	3	210.321	1.158	10	30		BDEEHN
C[C@H](CS)CN1CCN(C)[C@@H](C)C1	ZINC000227246401	371815162	/nfs/dbraw/zinc/81/51/62/371815162.db2.gz	ZMCMEMKQBKMOIK-UWVGGRQHSA-N	0	3	202.367	1.188	10	30		BDEEHN
C=C(C)CN[C@H]1CCCC[C@H]1NS(C)(=O)=O	ZINC000381145527	373928465	/nfs/dbraw/zinc/92/84/65/373928465.db2.gz	NPHFVMCRDFTHQI-WDEREUQCSA-N	0	3	246.376	1.013	10	30		BDEEHN
C[C@@H](C#N)N1CC[C@@H](N2CCCCC2)C1	ZINC000220554060	134309648	/nfs/dbraw/zinc/30/96/48/134309648.db2.gz	YKMDSTBPMHUQPQ-NWDGAFQWSA-N	0	3	207.321	1.459	10	30		BDEEHN
CCCNC(=O)NCc1cccc(C#CCN)c1	ZINC000049587511	169237374	/nfs/dbraw/zinc/23/73/74/169237374.db2.gz	KYHNHBZUNXCGJQ-UHFFFAOYSA-N	0	3	245.326	1.206	10	30		BDEEHN
CCC[C@@H](C)C(=O)Nc1cccc(C#CCN)n1	ZINC000037552214	169353321	/nfs/dbraw/zinc/35/33/21/169353321.db2.gz	UOVGCSYECNKUSI-LLVKDONJSA-N	0	3	245.326	1.767	10	30		BDEEHN
C#CCC(C)(C)C(=O)N1CCN2CCC[C@@H]2C1	ZINC000185519178	532990918	/nfs/dbraw/zinc/99/09/18/532990918.db2.gz	GVLFUVYILVZUKR-GFCCVEGCSA-N	0	3	234.343	1.343	10	30		BDEEHN
C[C@@H]1COCC[C@@H]1N[C@H]1CCC[C@@H]1C#N	ZINC000300865073	384614468	/nfs/dbraw/zinc/61/44/68/384614468.db2.gz	ONUUFHOQOGJCEE-WYUUTHIRSA-N	0	3	208.305	1.693	10	30		BDEEHN
CC#CCCN1CC[C@H](c2cnn(C)c2)C1	ZINC000155727921	384759706	/nfs/dbraw/zinc/75/97/06/384759706.db2.gz	VYHIHICJXRKCRN-LBPRGKRZSA-N	0	3	217.316	1.623	10	30		BDEEHN
CC#CCCN1CC[C@@H](c2cnn(C)c2)C1	ZINC000155728059	384760543	/nfs/dbraw/zinc/76/05/43/384760543.db2.gz	VYHIHICJXRKCRN-GFCCVEGCSA-N	0	3	217.316	1.623	10	30		BDEEHN
C=C[C@@](C)(CC)C(=O)N1CCN2CCC[C@@H]2C1	ZINC000188384096	385695198	/nfs/dbraw/zinc/69/51/98/385695198.db2.gz	BIBMQOBFBWRRKH-OCCSQVGLSA-N	0	3	236.359	1.895	10	30		BDEEHN
N#Cc1ccc(Br)cc1CN	ZINC000260305916	385789290	/nfs/dbraw/zinc/78/92/90/385789290.db2.gz	FJXXLFSXAAPXCT-UHFFFAOYSA-N	0	3	211.062	1.779	10	30		BDEEHN
CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1C#N	ZINC000408339575	386129354	/nfs/dbraw/zinc/12/93/54/386129354.db2.gz	QKEOUMKFAJCTMK-YNEHKIRRSA-N	0	3	249.358	1.669	10	30		BDEEHN
CCCN1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H]1C#N	ZINC000408339574	386130061	/nfs/dbraw/zinc/13/00/61/386130061.db2.gz	QKEOUMKFAJCTMK-RWMBFGLXSA-N	0	3	249.358	1.669	10	30		BDEEHN
CN1CCC[C@H]1CN1Cc2cccc(C#N)c2C1	ZINC000405102941	388638010	/nfs/dbraw/zinc/63/80/10/388638010.db2.gz	ITFFLKAGINZGOI-AWEZNQCLSA-N	0	3	241.338	1.968	10	30		BDEEHN
CN(C)Cc1c[nH]c2ncc(C#N)cc12	ZINC000095937273	388792037	/nfs/dbraw/zinc/79/20/37/388792037.db2.gz	XYGBOHJOJGCJER-UHFFFAOYSA-N	0	3	200.245	1.496	10	30		BDEEHN
C=C[C@@H](N)c1c(Br)cnn1C	ZINC000575458236	388794287	/nfs/dbraw/zinc/79/42/87/388794287.db2.gz	JOZMFIMEPYLTTD-ZCFIWIBFSA-N	0	3	216.082	1.368	10	30		BDEEHN
C=C(C)CN(C)C(=O)N[C@@H]1CCCN(CC)C1	ZINC000181414748	533491980	/nfs/dbraw/zinc/49/19/80/533491980.db2.gz	JRVFHFLBOPVLGW-GFCCVEGCSA-N	0	3	239.363	1.688	10	30		BDEEHN
C[C@@H]1CN(c2cc(C#N)ccn2)C[C@@H](C)N1	ZINC000053711462	132363373	/nfs/dbraw/zinc/36/33/73/132363373.db2.gz	YDCSOGVUOWYPNU-NXEZZACHSA-N	0	3	216.288	1.140	10	30		BDEEHN
CC#CCN1CCCC[C@H](N2CCN(C)CC2)C1	ZINC000174882666	134285087	/nfs/dbraw/zinc/28/50/87/134285087.db2.gz	VLKJEPUUYWVXLR-HNNXBMFYSA-N	0	3	249.402	1.112	10	30		BDEEHN
C=C(C)CN(CC)[C@H]1CCCCNC1=O	ZINC000193119341	134590628	/nfs/dbraw/zinc/59/06/28/134590628.db2.gz	KIPNWHIZTSNBFP-NSHDSACASA-N	0	3	210.321	1.553	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1N[C@H]1CCCC[C@H]1O	ZINC000251018684	135062089	/nfs/dbraw/zinc/06/20/89/135062089.db2.gz	DTJRSZAKDHUXQH-FIQHERPVSA-N	0	3	208.305	1.572	10	30		BDEEHN
C[C@H]1CN2CCCC[C@H]2CN1CCC#N	ZINC000252660966	135093815	/nfs/dbraw/zinc/09/38/15/135093815.db2.gz	FODDZYWBQSPBRU-RYUDHWBXSA-N	0	3	207.321	1.459	10	30		BDEEHN
C[C@@H]1CN2CCCC[C@H]2CN1CCCC#N	ZINC000252660729	135094455	/nfs/dbraw/zinc/09/44/55/135094455.db2.gz	CSBPTVZYGVHUKS-OLZOCXBDSA-N	0	3	221.348	1.849	10	30		BDEEHN
N#CC[C@]1(N)CCN(Cc2ccccc2)C1	ZINC000259553319	397957159	/nfs/dbraw/zinc/95/71/59/397957159.db2.gz	HMBFKALZELGHLI-ZDUSSCGKSA-N	0	3	215.300	1.503	10	30		BDEEHN
C[C@@H]1[C@@H](O)CCCN1Cc1ccc(C#N)cc1	ZINC000294960476	398102862	/nfs/dbraw/zinc/10/28/62/398102862.db2.gz	IGVFBHHDQKRCFE-RISCZKNCSA-N	0	3	230.311	1.903	10	30		BDEEHN
C#CCCN[C@H](CO)c1ccc(Cl)cc1	ZINC000272973530	166149587	/nfs/dbraw/zinc/14/95/87/166149587.db2.gz	CODIIODPKUVBEZ-GFCCVEGCSA-N	0	3	223.703	1.986	10	30		BDEEHN
C#CCN[C@H](C)c1ccc2c(c1)OCCO2	ZINC000019875533	166192197	/nfs/dbraw/zinc/19/21/97/166192197.db2.gz	HZYSGUMMHIUHRD-SNVBAGLBSA-N	0	3	217.268	1.742	10	30		BDEEHN
C=CCCOCCNC(=O)[C@@](C)(N)CCC	ZINC000226696503	166270930	/nfs/dbraw/zinc/27/09/30/166270930.db2.gz	HCAXSGAYDZUDHE-LBPRGKRZSA-N	0	3	228.336	1.213	10	30		BDEEHN
C=CCN(C(=O)[C@H]1CCCCN1)C(C)C	ZINC000037817718	166310571	/nfs/dbraw/zinc/31/05/71/166310571.db2.gz	NYIXRHYLZKBNAZ-LLVKDONJSA-N	0	3	210.321	1.552	10	30		BDEEHN
CCOC(=O)N(C)Cc1ccccc1C#CCN	ZINC000049587427	170237531	/nfs/dbraw/zinc/23/75/31/170237531.db2.gz	KOVLLPOJNMMLST-UHFFFAOYSA-N	0	3	246.310	1.585	10	30		BDEEHN
CCOC(=O)N(C)Cc1cccc(C#CCN)c1	ZINC000049587436	170237935	/nfs/dbraw/zinc/23/79/35/170237935.db2.gz	UMAIUKYZPFCFPL-UHFFFAOYSA-N	0	3	246.310	1.585	10	30		BDEEHN
CCOC(=O)N[C@H](C)c1ccc(C#CCN)cc1	ZINC000049587415	170242906	/nfs/dbraw/zinc/24/29/06/170242906.db2.gz	CVXQEFHQFTWCKN-LLVKDONJSA-N	0	3	246.310	1.804	10	30		BDEEHN
CCOC(=O)N[C@H](C)c1cccc(C#CCN)c1	ZINC000049587460	170243296	/nfs/dbraw/zinc/24/32/96/170243296.db2.gz	KQUZQTFDBNUXCG-LLVKDONJSA-N	0	3	246.310	1.804	10	30		BDEEHN
CCOC(=O)C(C#N)Cc1ccc([N+](=O)[O-])cc1	ZINC000074467730	170263262	/nfs/dbraw/zinc/26/32/62/170263262.db2.gz	PMIHMBXZTOSETH-JTQLQIEISA-N	0	3	248.238	1.840	10	30		BDEEHN
CC[C@@H]1CO[C@H](c2ccc(C#N)cc2)CN1	ZINC000036672720	171114543	/nfs/dbraw/zinc/11/45/43/171114543.db2.gz	CFKKNKPLQUMDJB-OLZOCXBDSA-N	0	3	216.284	1.998	10	30		BDEEHN
CC[C@H](C)N(C)Cc1cccnc1/C(N)=N/O	ZINC000061657317	171309889	/nfs/dbraw/zinc/30/98/89/171309889.db2.gz	WAPFENRJVQKLMP-VIFPVBQESA-N	0	3	236.319	1.406	10	30		BDEEHN
CC[C@H](C)[C@@H](N)C(=O)N(CCC#N)CC(C)C	ZINC000037822626	171369794	/nfs/dbraw/zinc/36/97/94/171369794.db2.gz	RFFQNNGFJNKFAD-NWDGAFQWSA-N	0	3	239.363	1.758	10	30		BDEEHN
CC[C@H](C)[C@H](N)C(=O)N(C)c1ccc(C#N)cc1	ZINC000061980502	171393579	/nfs/dbraw/zinc/39/35/79/171393579.db2.gz	FVAINPJACZFMIR-GWCFXTLKSA-N	0	3	245.326	1.894	10	30		BDEEHN
CC[C@H](C)[C@H](N)C(=O)N(CCC#N)CCC#N	ZINC000037825543	171394721	/nfs/dbraw/zinc/39/47/21/171394721.db2.gz	BYAJFWZQPVAIDD-QWRGUYRKSA-N	0	3	236.319	1.016	10	30		BDEEHN
C=CCCC(=O)N(C)[C@H](CN)C(F)(F)F	ZINC000662982999	412362985	/nfs/dbraw/zinc/36/29/85/412362985.db2.gz	HGUKSGDPJQCQKM-SSDOTTSWSA-N	0	3	224.226	1.301	10	30		BDEEHN
CCn1cc(C=NNC(=N)N)c2ccccc21	ZINC000095952359	172150043	/nfs/dbraw/zinc/15/00/43/172150043.db2.gz	JYDJYQQXKLECHQ-CHHVJCJISA-N	0	3	229.287	1.478	10	30		BDEEHN
CN(C)C(=O)C(C#N)Cc1ccccc1	ZINC000044812247	172385008	/nfs/dbraw/zinc/38/50/08/172385008.db2.gz	BUKXJLLORBNAFE-NSHDSACASA-N	0	3	202.257	1.457	10	30		BDEEHN
CN(C)C(C)(C)CN[C@H]1CCC[C@@H]1C#N	ZINC000054827500	172398147	/nfs/dbraw/zinc/39/81/47/172398147.db2.gz	YNCSEHVEBNSQBH-MNOVXSKESA-N	0	3	209.337	1.608	10	30		BDEEHN
CN(C)CCNCc1cc(C#N)ccc1F	ZINC000020056972	172466121	/nfs/dbraw/zinc/46/61/21/172466121.db2.gz	RXZZRTBQDJHTSB-UHFFFAOYSA-N	0	3	221.279	1.349	10	30		BDEEHN
COc1ccc(C#CCN)cc1N1CCCC1=O	ZINC000049587805	175051334	/nfs/dbraw/zinc/05/13/34/175051334.db2.gz	LKYDOEZABWAAGD-UHFFFAOYSA-N	0	3	244.294	1.132	10	30		BDEEHN
COc1cccc([C@@H](C#N)NCCN(C)C)c1	ZINC000020173300	175285370	/nfs/dbraw/zinc/28/53/70/175285370.db2.gz	HOQFBBZRMAWYMF-CYBMUJFWSA-N	0	3	233.315	1.411	10	30		BDEEHN
C[C@@H](S)[C@H]1[NH2+]CCc2cccc([O-])c21	ZINC000083660561	176007491	/nfs/dbraw/zinc/00/74/91/176007491.db2.gz	FPASJYBOJPXPLI-RDDDGLTNSA-N	0	3	209.314	1.897	10	30		BDEEHN
C[C@@H](S)[C@H]1NCCc2ccc(N)cc21	ZINC000075752000	176007601	/nfs/dbraw/zinc/00/76/01/176007601.db2.gz	JAEUJKOIFWFDGX-RDDDGLTNSA-N	0	3	208.330	1.774	10	30		BDEEHN
C[C@@H]1COCCN1Cc1ccccc1C#CCN	ZINC000049609127	176337377	/nfs/dbraw/zinc/33/73/77/176337377.db2.gz	RVDJSXNVSWCFCH-CYBMUJFWSA-N	0	3	244.338	1.218	10	30		BDEEHN
C[C@H]1CCCN(CC(=O)N(C)CCC#N)CC1	ZINC000068830733	177096448	/nfs/dbraw/zinc/09/64/48/177096448.db2.gz	HZJHDIRFPZJKIE-LBPRGKRZSA-N	0	3	237.347	1.480	10	30		BDEEHN
C[C@H]1CO[C@@H](c2ccc(C#N)cc2)CN1	ZINC000036673401	177299733	/nfs/dbraw/zinc/29/97/33/177299733.db2.gz	MVERVMLJBAMJOF-JOYOIKCWSA-N	0	3	202.257	1.608	10	30		BDEEHN
COCC#CCN1CC[C@]2(O)CCCC[C@H]2C1	ZINC000677820420	487518536	/nfs/dbraw/zinc/51/85/36/487518536.db2.gz	MRVMIFSBMVKRNA-UONOGXRCSA-N	0	3	237.343	1.263	10	30		BDEEHN
CC(C)(C#N)CCCCN1C[C@H](O)C[C@@H]1CO	ZINC000373068988	534980835	/nfs/dbraw/zinc/98/08/35/534980835.db2.gz	HSKYZUVQKIOVRO-VXGBXAGGSA-N	0	3	240.347	1.134	10	30		BDEEHN
CN(Cc1cc(C#CCO)cs1)C1CC1	ZINC000043698548	582806963	/nfs/dbraw/zinc/80/69/63/582806963.db2.gz	GGESETROFWWLDI-UHFFFAOYSA-N	0	3	221.325	1.686	10	30		BDEEHN
C#CCCNCc1cc(F)ccc1OC	ZINC000309098598	631882503	/nfs/dbraw/zinc/88/25/03/631882503.db2.gz	DTOJPZBXTVXMKB-UHFFFAOYSA-N	0	3	207.248	1.947	10	30		BDEEHN
C#CCCNCc1cccc2c1OCCCO2	ZINC000070246059	643005296	/nfs/dbraw/zinc/00/52/96/643005296.db2.gz	YJPKQUYKZTUNIU-UHFFFAOYSA-N	0	3	231.295	1.961	10	30		BDEEHN
C=C(Cl)CN1C[C@@H]2CC[C@@H](O)C[C@H]2C1	ZINC000306766620	643243595	/nfs/dbraw/zinc/24/35/95/643243595.db2.gz	BNARTDHUJKFMJH-GARJFASQSA-N	0	3	215.724	1.832	10	30		BDEEHN
CC1(O)CCC(N[C@H]2CCC[C@@H]2C#N)CC1	ZINC000705522832	712132619	/nfs/dbraw/zinc/13/26/19/712132619.db2.gz	AEWIBGASTTWNOJ-IGJPJIBNSA-N	0	3	222.332	1.962	10	30		BDEEHN
CC(C)(C)OC(=O)C#C[C@@H]1CCCCN1	ZINC000685954306	538899195	/nfs/dbraw/zinc/89/91/95/538899195.db2.gz	UZIDJSATPSKAJE-JTQLQIEISA-N	0	3	209.289	1.474	10	30		BDEEHN
CC(C)(C)OC(=O)C#CC12CCC(CC1)N2	ZINC000685954708	538899441	/nfs/dbraw/zinc/89/94/41/538899441.db2.gz	YXBLNBZZXPFWNP-UHFFFAOYSA-N	0	3	221.300	1.616	10	30		BDEEHN
CC[C@H](C)NCC#CC(=O)OC(C)(C)C	ZINC000685953021	538896747	/nfs/dbraw/zinc/89/67/47/538896747.db2.gz	ISIDOTLIVPDYMC-JTQLQIEISA-N	0	3	211.305	1.720	10	30		BDEEHN
CC#CCN1CCC[C@H](Cn2nc(C)nc2C)C1	ZINC000119244807	136221936	/nfs/dbraw/zinc/22/19/36/136221936.db2.gz	ZMGHIIIMQXGBQN-AWEZNQCLSA-N	0	3	246.358	1.630	10	30		BDEEHN
CC(C)[C@H](O)CN[C@H]1CCCC[C@@H]1C#N	ZINC000229981453	342861045	/nfs/dbraw/zinc/86/10/45/342861045.db2.gz	LDMNTXGNEBCSDA-GRYCIOLGSA-N	0	3	210.321	1.675	10	30		BDEEHN
CC1(C)CCN(C[C@@H]2CO2)CCS1	ZINC000231043061	398322292	/nfs/dbraw/zinc/32/22/92/398322292.db2.gz	JGGFVBUJFBLTMP-SECBINFHSA-N	0	3	201.335	1.603	10	30		BDEEHN
N#C[C@@H]1CCC[C@H]1NCC[C@@H]1CCCO1	ZINC000054826042	136373257	/nfs/dbraw/zinc/37/32/57/136373257.db2.gz	CFHHOBDNPXCBAS-SDDRHHMPSA-N	0	3	208.305	1.837	10	30		BDEEHN
CC#CCN1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000088023383	343693623	/nfs/dbraw/zinc/69/36/23/343693623.db2.gz	BWEQNSLDTHGKRV-OLZOCXBDSA-N	0	3	207.317	1.637	10	30		BDEEHN
C=CCCc1cc(N2CCNCC2)nc(C)n1	ZINC000409428412	343802987	/nfs/dbraw/zinc/80/29/87/343802987.db2.gz	FAKGWCCYNCUJPA-UHFFFAOYSA-N	0	3	232.331	1.313	10	30		BDEEHN
C#CCn1nc(C(F)(F)F)c2c1CCNC2	ZINC000409437133	343842276	/nfs/dbraw/zinc/84/22/76/343842276.db2.gz	DUBSGWJWCARGIA-UHFFFAOYSA-N	0	3	229.205	1.181	10	30		BDEEHN
C#CCn1cc(CNC)c(C(F)(F)F)n1	ZINC000409439651	343848009	/nfs/dbraw/zinc/84/80/09/343848009.db2.gz	PZUAUWSGPPWWCA-UHFFFAOYSA-N	0	3	217.194	1.255	10	30		BDEEHN
C#CCn1nc(-c2cccs2)c2c1CCNC2	ZINC000409438207	343849911	/nfs/dbraw/zinc/84/99/11/343849911.db2.gz	KQNNNUJMUZWKKV-UHFFFAOYSA-N	0	3	243.335	1.891	10	30		BDEEHN
CC(C)N1C[C@H](C)[C@H](NCc2ccc(C#N)o2)C1	ZINC000247402091	344171657	/nfs/dbraw/zinc/17/16/57/344171657.db2.gz	RERNFKFZCDBLHS-SMDDNHRTSA-N	0	3	247.342	1.970	10	30		BDEEHN
C#C[C@@H](N)[C@@H]1CSc2ccccc2O1	ZINC000236301413	344354132	/nfs/dbraw/zinc/35/41/32/344354132.db2.gz	GJGHCRNMWQPEIT-SCZZXKLOSA-N	0	3	205.282	1.500	10	30		BDEEHN
C#CCNCCN(CC)C(=O)OC(C)(C)C	ZINC000227652283	344727212	/nfs/dbraw/zinc/72/72/12/344727212.db2.gz	GCXDZCCNRNIZLQ-UHFFFAOYSA-N	0	3	226.320	1.466	10	30		BDEEHN
CCCCCCCN1C[C@@H](C)O[C@@H](C(N)=O)C1	ZINC000122628073	344711987	/nfs/dbraw/zinc/71/19/87/344711987.db2.gz	OQWXFUNGEJRTOX-VXGBXAGGSA-N	0	3	242.363	1.531	10	30		BDEEHN
CC#CCCN1CCC(n2cncn2)CC1	ZINC000155331088	345078000	/nfs/dbraw/zinc/07/80/00/345078000.db2.gz	KCSOQBIPIFQZNY-UHFFFAOYSA-N	0	3	218.304	1.328	10	30		BDEEHN
C#CCN1CCCC[C@H]1[C@H]1CCCC1=O	ZINC000227379228	345252273	/nfs/dbraw/zinc/25/22/73/345252273.db2.gz	ZWXQWOWVAFFHHG-NEPJUHHUSA-N	0	3	205.301	1.843	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1NC[C@@H]1CCC[C@H](O)C1	ZINC000300360363	345801394	/nfs/dbraw/zinc/80/13/94/345801394.db2.gz	XOKFHYBAKMVQPT-VOAKCMCISA-N	0	3	222.332	1.819	10	30		BDEEHN
CO[C@H]1C[C@H](CO)N(Cc2cccc(C#N)c2)C1	ZINC000311155118	537918400	/nfs/dbraw/zinc/91/84/00/537918400.db2.gz	WZVDKDCVSQWQPS-KGLIPLIRSA-N	0	3	246.310	1.140	10	30		BDEEHN
C#C[C@H](N)[C@@H]1CSc2ccccc2O1	ZINC000236290227	346221051	/nfs/dbraw/zinc/22/10/51/346221051.db2.gz	GJGHCRNMWQPEIT-WPRPVWTQSA-N	0	3	205.282	1.500	10	30		BDEEHN
CC#CCN1CCC[C@H]1[C@H]1CCCC1=O	ZINC000250535063	362808902	/nfs/dbraw/zinc/80/89/02/362808902.db2.gz	XCIFRXFZCHFWEU-NEPJUHHUSA-N	0	3	205.301	1.843	10	30		BDEEHN
CC(C)[C@H](O)CN[C@H]1CCCC[C@H]1C#N	ZINC000253022579	347877954	/nfs/dbraw/zinc/87/79/54/347877954.db2.gz	LDMNTXGNEBCSDA-SDDRHHMPSA-N	0	3	210.321	1.675	10	30		BDEEHN
Cc1ccccc1[C@H](CN)N(CC#N)CC#N	ZINC000043034072	179342315	/nfs/dbraw/zinc/34/23/15/179342315.db2.gz	CDPCLBZVVNYSSV-ZDUSSCGKSA-N	0	3	228.299	1.344	10	30		BDEEHN
N#Cc1ccc(CNC2CC(CO)C2)o1	ZINC000595000752	348169647	/nfs/dbraw/zinc/16/96/47/348169647.db2.gz	LDKSNAWNSBQUMB-UHFFFAOYSA-N	0	3	206.245	1.012	10	30		BDEEHN
N#Cc1cccc([C@H]2COCCCN2)c1	ZINC000616604129	350792520	/nfs/dbraw/zinc/79/25/20/350792520.db2.gz	QWSRUFYMBYOPOK-GFCCVEGCSA-N	0	3	202.257	1.609	10	30		BDEEHN
N#Cc1ccc([C@H]2CCCN2CCO)cc1	ZINC000616606511	350798435	/nfs/dbraw/zinc/79/84/35/350798435.db2.gz	CAVDUSDKYXZHJM-CYBMUJFWSA-N	0	3	216.284	1.687	10	30		BDEEHN
CN1CCN[C@@H](c2cccc(C#N)c2)C1	ZINC000616631756	351108401	/nfs/dbraw/zinc/10/84/01/351108401.db2.gz	BQVVMFWIHDTZNI-GFCCVEGCSA-N	0	3	201.273	1.134	10	30		BDEEHN
CCN1CCN[C@H](c2ccc(C#N)cc2)C1	ZINC000616632563	351112617	/nfs/dbraw/zinc/11/26/17/351112617.db2.gz	LXXPZPIVIAYBOE-ZDUSSCGKSA-N	0	3	215.300	1.524	10	30		BDEEHN
CN1CCO[C@@H](c2ccc(C#N)cc2)CC1	ZINC000616666076	351225655	/nfs/dbraw/zinc/22/56/55/351225655.db2.gz	GGUHPDCZJLAIQS-CYBMUJFWSA-N	0	3	216.284	1.951	10	30		BDEEHN
O=CC[C@@]1(O)CCN(Cc2ccccc2)C1	ZINC000307058207	351455006	/nfs/dbraw/zinc/45/50/06/351455006.db2.gz	LXZVPLQGBHHYHS-ZDUSSCGKSA-N	0	3	219.284	1.212	10	30		BDEEHN
CC(=O)NCCCN[C@H]1CCCC[C@@H]1C#N	ZINC000383472475	353246619	/nfs/dbraw/zinc/24/66/19/353246619.db2.gz	DZUQGBBIWMJOTP-NEPJUHHUSA-N	0	3	223.320	1.185	10	30		BDEEHN
CC[C@](C)(C#N)C(=O)N1CC[C@@H](N(C)C)C1	ZINC000136246955	353613914	/nfs/dbraw/zinc/61/39/14/353613914.db2.gz	BWGKNNVMDAQRKT-ZYHUDNBSSA-N	0	3	223.320	1.089	10	30		BDEEHN
CNC(=NN)c1ccc(C)c(Br)c1	ZINC000130543905	363245779	/nfs/dbraw/zinc/24/57/79/363245779.db2.gz	KFUOFFAQTPMTLT-UHFFFAOYSA-N	0	3	242.120	1.597	10	30		BDEEHN
N#CCCCN1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000220292896	353832826	/nfs/dbraw/zinc/83/28/26/353832826.db2.gz	NRPLPJNXJUTIPY-OLZOCXBDSA-N	0	3	222.332	1.917	10	30		BDEEHN
N#CC1(c2cccc(F)c2)CCNCC1	ZINC000082927906	181031428	/nfs/dbraw/zinc/03/14/28/181031428.db2.gz	XNIJIYYQGVKSNB-UHFFFAOYSA-N	0	3	204.248	1.970	10	30		BDEEHN
N#Cc1ccc(CNCc2cnc[nH]2)cc1	ZINC000054765011	181109507	/nfs/dbraw/zinc/10/95/07/181109507.db2.gz	QISRUBSORTWCEU-UHFFFAOYSA-N	0	3	212.256	1.571	10	30		BDEEHN
N#Cc1ccc(OC2CNC2)cc1Cl	ZINC000062810043	181127375	/nfs/dbraw/zinc/12/73/75/181127375.db2.gz	LUVMYLLHOTWOBA-UHFFFAOYSA-N	0	3	208.648	1.562	10	30		BDEEHN
C=CCNC1(C#N)CCN(C(C)C)CC1	ZINC000051959952	166396483	/nfs/dbraw/zinc/39/64/83/166396483.db2.gz	WPWBNGFOYPBSJX-UHFFFAOYSA-N	0	3	207.321	1.529	10	30		BDEEHN
C=C(Cl)CN1C[C@H]2CCCN2C[C@@H]1C	ZINC000113518468	355239614	/nfs/dbraw/zinc/23/96/14/355239614.db2.gz	RAMNDJLSLMMNLA-WDEREUQCSA-N	0	3	214.740	1.907	10	30		BDEEHN
N/C(CCN(CCc1ccncc1)C1CC1)=N/O	ZINC000042546214	181183117	/nfs/dbraw/zinc/18/31/17/181183117.db2.gz	RMVJJILGFBOFRX-UHFFFAOYSA-N	0	3	248.330	1.225	10	30		BDEEHN
NN=C(N)c1ccc(-c2ccccc2)cc1	ZINC000088383587	181183583	/nfs/dbraw/zinc/18/35/83/181183583.db2.gz	HFAILLBPQGKJIX-UHFFFAOYSA-N	0	3	211.268	1.933	10	30		BDEEHN
C=C(Br)CN[C@@H]1CCC[C@@H]1O	ZINC000168283789	356714136	/nfs/dbraw/zinc/71/41/36/356714136.db2.gz	QFJHCSKEWJNBPS-SFYZADRCSA-N	0	3	220.110	1.398	10	30		BDEEHN
CCC[C@H](N)C(=O)Nc1cccc(C#N)c1	ZINC000223762147	357051167	/nfs/dbraw/zinc/05/11/67/357051167.db2.gz	FBFNBOZJZSVZOH-NSHDSACASA-N	0	3	217.272	1.624	10	30		BDEEHN
CCN1CC[C@H](NC(=O)C(C#N)(CC)CC)C1	ZINC000389672685	357012248	/nfs/dbraw/zinc/01/22/48/357012248.db2.gz	FQBSTPXIEGNYDM-NSHDSACASA-N	0	3	237.347	1.527	10	30		BDEEHN
C#C[C@H](N)[C@@H]1CS[C@@H](C)[C@H](C)S1	ZINC000300024303	357172818	/nfs/dbraw/zinc/17/28/18/357172818.db2.gz	FOZYIXUFUYLTEX-JBDRJPRFSA-N	0	3	201.360	1.573	10	30		BDEEHN
CC#CCN1CCN(CCOC)[C@H](CC)C1	ZINC000119169974	134225520	/nfs/dbraw/zinc/22/55/20/134225520.db2.gz	GKYPWIMZZBLCTK-CYBMUJFWSA-N	0	3	224.348	1.052	10	30		BDEEHN
NCC#Cc1ccsc1CN1CCC1	ZINC000306250217	359447898	/nfs/dbraw/zinc/44/78/98/359447898.db2.gz	YMOUZJOHMNALOS-UHFFFAOYSA-N	0	3	206.314	1.264	10	30		BDEEHN
O=C1CCCN1CC#CCN1CCCCC1	ZINC000001547711	359629297	/nfs/dbraw/zinc/62/92/97/359629297.db2.gz	BPXJOVJSPDSBSN-UHFFFAOYSA-N	0	3	220.316	1.098	10	30		BDEEHN
N=C(N)NN=Cc1cc(Cl)sc1Cl	ZINC000306341064	359660634	/nfs/dbraw/zinc/66/06/34/359660634.db2.gz	CMARGUVUTSRTMR-BIIKFXOESA-N	0	3	237.115	1.872	10	30		BDEEHN
C#CCC[C@H](N)c1ncncc1Br	ZINC000306455316	360046126	/nfs/dbraw/zinc/04/61/26/360046126.db2.gz	OFKMYUZKZMMSGY-QMMMGPOBSA-N	0	3	240.104	1.652	10	30		BDEEHN
CC#CC[C@@H](N)c1cnn(C)c1Br	ZINC000306478112	360125033	/nfs/dbraw/zinc/12/50/33/360125033.db2.gz	ZFYOMUAYLJXNAU-MRVPVSSYSA-N	0	3	242.120	1.596	10	30		BDEEHN
N=C(N)NN=Cc1cscc1Cl	ZINC000306486602	360164672	/nfs/dbraw/zinc/16/46/72/360164672.db2.gz	SJTQZMMCGNVUFE-BCTAIJSYSA-N	0	3	202.670	1.218	10	30		BDEEHN
C=C(C)[C@@H](CO)NC(C)(C)c1cnn(C)c1	ZINC000309670062	491154295	/nfs/dbraw/zinc/15/42/95/491154295.db2.gz	JLZCCVVLTQSGIE-LLVKDONJSA-N	0	3	223.320	1.182	10	30		BDEEHN
N#CCc1cncc(OC(F)(F)F)c1N	ZINC000238660624	361172256	/nfs/dbraw/zinc/17/22/56/361172256.db2.gz	MPTCJDIPJFWGES-UHFFFAOYSA-N	0	3	217.150	1.628	10	30		BDEEHN
N#Cc1ccc(CN)c(OC(F)(F)F)n1	ZINC000238677294	361176567	/nfs/dbraw/zinc/17/65/67/361176567.db2.gz	PSSBTVBVHUWFHD-UHFFFAOYSA-N	0	3	217.150	1.311	10	30		BDEEHN
c1ccc2c(c1)CCN(C[C@@H]1CO1)CC2	ZINC000070620772	361647532	/nfs/dbraw/zinc/64/75/32/361647532.db2.gz	RQHHDLPSBQYUDQ-CYBMUJFWSA-N	0	3	203.285	1.486	10	30		BDEEHN
NCC#Cc1ccccc1COC[C@@H]1CCCO1	ZINC000049610785	181345809	/nfs/dbraw/zinc/34/58/09/181345809.db2.gz	FFNFPLOYFZIYFX-HNNXBMFYSA-N	0	3	245.322	1.692	10	30		BDEEHN
NCC#Cc1ccc(CN2CCOC2=O)c(F)c1	ZINC000049610125	181346910	/nfs/dbraw/zinc/34/69/10/181346910.db2.gz	QLHGHLLYDVRWGL-UHFFFAOYSA-N	0	3	248.257	1.088	10	30		BDEEHN
NCC#Cc1ccc(OC[C@@H]2CCOC2)cc1	ZINC000049689764	181346946	/nfs/dbraw/zinc/34/69/46/181346946.db2.gz	RNZWFWOSJQSKMJ-CYBMUJFWSA-N	0	3	231.295	1.412	10	30		BDEEHN
C#CCN(C)CCCNC(=O)[C@@H]1CCC[C@@H]1C	ZINC000383217652	367606594	/nfs/dbraw/zinc/60/65/94/367606594.db2.gz	YPVLUJIWRJRCKI-QWHCGFSZSA-N	0	3	236.359	1.494	10	30		BDEEHN
CN[C@H](C)C(=O)N1Cc2cccc(C#N)c2C1	ZINC000405125233	369446569	/nfs/dbraw/zinc/44/65/69/369446569.db2.gz	YKYCAMQWFSXTMN-SECBINFHSA-N	0	3	229.283	1.008	10	30		BDEEHN
N#C[C@H]1CCCC[C@H]1N[C@@H]1CCCC[C@H]1O	ZINC000227081208	371781022	/nfs/dbraw/zinc/78/10/22/371781022.db2.gz	STHNCTOFSRCQCK-FDYHWXHSSA-N	0	3	222.332	1.962	10	30		BDEEHN
Cc1cc(C(N)=NN)cc(C)c1Br	ZINC000162920085	371885728	/nfs/dbraw/zinc/88/57/28/371885728.db2.gz	MLRBARIDRHASHU-UHFFFAOYSA-N	0	3	242.120	1.645	10	30		BDEEHN
CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)N	ZINC000037809156	169175110	/nfs/dbraw/zinc/17/51/10/169175110.db2.gz	BZOWXNLEWGAEQB-LLVKDONJSA-N	0	3	245.326	1.644	10	30		BDEEHN
CCCNC(=O)Nc1cccc(C#CCN)c1	ZINC000037552789	169240180	/nfs/dbraw/zinc/24/01/80/169240180.db2.gz	VZKCAVMRYMORRX-UHFFFAOYSA-N	0	3	231.299	1.528	10	30		BDEEHN
CCCOCc1ccc(OC)c(C#CCN)c1	ZINC000049611046	169309933	/nfs/dbraw/zinc/30/99/33/169309933.db2.gz	BOHAKQZDIZXQRW-UHFFFAOYSA-N	0	3	233.311	1.932	10	30		BDEEHN
CCCO[C@@H]1CCCN(C(=O)C(C)C#N)C1	ZINC000044826359	169310719	/nfs/dbraw/zinc/31/07/19/169310719.db2.gz	YJOVCEVJYGZMGC-GHMZBOCLSA-N	0	3	224.304	1.564	10	30		BDEEHN
CCC[C@H](C(=O)N[C@@H](CC)CC#N)N(C)C	ZINC000183901221	134357414	/nfs/dbraw/zinc/35/74/14/134357414.db2.gz	WBKVZRFTYDAWIJ-WDEREUQCSA-N	0	3	225.336	1.525	10	30		BDEEHN
C#CCCN1C[C@H]2CCCCN2C[C@@H]1CC	ZINC000086929628	533057792	/nfs/dbraw/zinc/05/77/92/533057792.db2.gz	AYNLTJCMJQEIQT-UONOGXRCSA-N	0	3	220.360	1.958	10	30		BDEEHN
CN(C[C@@H]1CCCN(C)C1)c1nccc(C#N)n1	ZINC000297236543	384630507	/nfs/dbraw/zinc/63/05/07/384630507.db2.gz	UJGLYIPHSCPUER-LLVKDONJSA-N	0	3	245.330	1.126	10	30		BDEEHN
Cc1nnc(N2CC[C@H](N(C)C)C2)c(C#N)c1C	ZINC000071140023	384654606	/nfs/dbraw/zinc/65/46/06/384654606.db2.gz	CYMVWJNYYYPHOL-NSHDSACASA-N	0	3	245.330	1.105	10	30		BDEEHN
CN1CCC(N[C@@H]2CCCC[C@H]2C#N)CC1	ZINC000054824967	384819274	/nfs/dbraw/zinc/81/92/74/384819274.db2.gz	QMWPNMARDJEGSZ-WCQYABFASA-N	0	3	221.348	1.753	10	30		BDEEHN
C#CC[N@@H+](C)[C@@H]1CCc2cccc([O-])c21	ZINC000013492318	384848917	/nfs/dbraw/zinc/84/89/17/384848917.db2.gz	BTTBIZBMYHKJTB-LLVKDONJSA-N	0	3	201.269	1.945	10	30		BDEEHN
C#CC[N@H+](C)[C@@H]1CCc2cccc([O-])c21	ZINC000013492318	384848920	/nfs/dbraw/zinc/84/89/20/384848920.db2.gz	BTTBIZBMYHKJTB-LLVKDONJSA-N	0	3	201.269	1.945	10	30		BDEEHN
Cc1cnn(CCNCc2ccc(C#N)s2)c1	ZINC000176965193	385187934	/nfs/dbraw/zinc/18/79/34/385187934.db2.gz	MHGXNDUIYDJJJC-UHFFFAOYSA-N	0	3	246.339	1.915	10	30		BDEEHN
COCC(C)(C)CN[C@H]1CCC[C@@H]1C#N	ZINC000309088910	385412411	/nfs/dbraw/zinc/41/24/11/385412411.db2.gz	CQIXBTCHFTYFMZ-MNOVXSKESA-N	0	3	210.321	1.941	10	30		BDEEHN
N#CC1(CN2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)CC1	ZINC000425527167	386312632	/nfs/dbraw/zinc/31/26/32/386312632.db2.gz	LSRXXHFCVFYHNZ-QJPTWQEYSA-N	0	3	220.316	1.383	10	30		BDEEHN
C[C@H]1[C@H](NCC#N)CCN1Cc1ccccc1	ZINC000307416366	386648969	/nfs/dbraw/zinc/64/89/69/386648969.db2.gz	LFZFPOCZSPQVIY-GXTWGEPZSA-N	0	3	229.327	1.763	10	30		BDEEHN
CCN1CCC[C@@H](Nc2cc(C)ncc2C#N)C1	ZINC000399372988	386757509	/nfs/dbraw/zinc/75/75/09/386757509.db2.gz	LDYQIVANGNMVOU-CYBMUJFWSA-N	0	3	244.342	1.580	10	30		BDEEHN
C[C@H](N)C#Cc1ccc(Br)cn1	ZINC000575508225	387373017	/nfs/dbraw/zinc/37/30/17/387373017.db2.gz	PJHHDGMJRKLKKA-ZETCQYMHSA-N	0	3	225.089	1.543	10	30		BDEEHN
C[C@H]1C[C@@](C#N)(NCc2ccccc2)CCN1	ZINC000575513098	387385232	/nfs/dbraw/zinc/38/52/32/387385232.db2.gz	ZHEMFRJBCDWJDG-JSGCOSHPSA-N	0	3	229.327	1.810	10	30		BDEEHN
CC(C)[C@@H](C)NC(=O)[C@@H](N)CCCC#N	ZINC000424071691	387476104	/nfs/dbraw/zinc/47/61/04/387476104.db2.gz	BUNGXMGEPFNYBR-ZJUUUORDSA-N	0	3	211.309	1.168	10	30		BDEEHN
NCC#Cc1c(F)ccc(F)c1Cl	ZINC000575544027	387592258	/nfs/dbraw/zinc/59/22/58/387592258.db2.gz	SPADQJWZNZTCDB-UHFFFAOYSA-N	0	3	201.603	1.928	10	30		BDEEHN
CC1CC(C#N)(C(=O)N2CCN3CCC[C@@H]3C2)C1	ZINC000125801679	388677988	/nfs/dbraw/zinc/67/79/88/388677988.db2.gz	KRBUTNLGTQCCEM-MBHSVXNSSA-N	0	3	247.342	1.233	10	30		BDEEHN
C=C(C)CN1CC[C@H](c2cnn(C)c2)C1	ZINC000116312571	533512438	/nfs/dbraw/zinc/51/24/38/533512438.db2.gz	RSWRBZRWMWTHIP-NSHDSACASA-N	0	3	205.305	1.786	10	30		BDEEHN
Cc1cc(C)c(C#N)c(N2C[C@H](C)N[C@@H](C)C2)n1	ZINC000053712224	132363556	/nfs/dbraw/zinc/36/35/56/132363556.db2.gz	HOKBAMPKZHOJNP-RYUDHWBXSA-N	0	3	244.342	1.757	10	30		BDEEHN
N#CCC[C@@H](C#N)CN1CCN2CCCC[C@H]2C1	ZINC000178973425	134314211	/nfs/dbraw/zinc/31/42/11/134314211.db2.gz	NXOJPIQTFJWBIH-KBPBESRZSA-N	0	3	246.358	1.600	10	30		BDEEHN
C#CCN1C[C@H]2CCCCN2C[C@@H]1CC	ZINC000086929565	135102435	/nfs/dbraw/zinc/10/24/35/135102435.db2.gz	VUTHDJNYROCSAF-QWHCGFSZSA-N	0	3	206.333	1.568	10	30		BDEEHN
C#CCNCCn1c(C)nc2ccccc21	ZINC000049900612	166187609	/nfs/dbraw/zinc/18/76/09/166187609.db2.gz	PKRLGRYDZJPKQR-UHFFFAOYSA-N	0	3	213.284	1.568	10	30		BDEEHN
C#CCN[C@@H](C)c1ccc(O)c(OC)c1	ZINC000019875582	166191326	/nfs/dbraw/zinc/19/13/26/166191326.db2.gz	IFXJBHOEKHIZCU-VIFPVBQESA-N	0	3	205.257	1.685	10	30		BDEEHN
C#CCOc1cc2c(cc1CNC(C)C)OCO2	ZINC000042874858	166197775	/nfs/dbraw/zinc/19/77/75/166197775.db2.gz	CIUYXGIERKVSQU-UHFFFAOYSA-N	0	3	247.294	1.925	10	30		BDEEHN
C=CCNC(=O)[C@@H](C)NCCc1cccc(C)c1	ZINC000051670015	166381946	/nfs/dbraw/zinc/38/19/46/166381946.db2.gz	AINGDVLYIXIODR-CYBMUJFWSA-N	0	3	246.354	1.818	10	30		BDEEHN
C=CCNC(=O)[C@@H](C)NCCOC1CCCC1	ZINC000104447729	166383051	/nfs/dbraw/zinc/38/30/51/166383051.db2.gz	SKRASFLJFNOXNU-LLVKDONJSA-N	0	3	240.347	1.226	10	30		BDEEHN
C[C@H](CC#N)NC1(CO)CCC(C)CC1	ZINC000053118557	168156602	/nfs/dbraw/zinc/15/66/02/168156602.db2.gz	PVCHMGKGUKEBFT-MOENNCHZSA-N	0	3	210.321	1.819	10	30		BDEEHN
CCC(=O)Nc1ccc(C)cc1C#CCN	ZINC000037654048	168243698	/nfs/dbraw/zinc/24/36/98/168243698.db2.gz	VADHKYYYDRWDJF-UHFFFAOYSA-N	0	3	216.284	1.654	10	30		BDEEHN
C=CCCC(C)(C)NC(=O)[C@@H](N)CCC	ZINC000662952059	412352676	/nfs/dbraw/zinc/35/26/76/412352676.db2.gz	CBMZJAXEJWKZDW-JTQLQIEISA-N	0	3	212.337	1.975	10	30		BDEEHN
CN(C(=O)C1(N)CCCC1)c1ccc(C#N)cc1	ZINC000061980610	172297304	/nfs/dbraw/zinc/29/73/04/172297304.db2.gz	KKRDMXKMZJVVPQ-UHFFFAOYSA-N	0	3	243.310	1.793	10	30		BDEEHN
CN(C)C(C)(C)CN[C@H]1CCC[C@H]1C#N	ZINC000054827503	172397151	/nfs/dbraw/zinc/39/71/51/172397151.db2.gz	YNCSEHVEBNSQBH-QWRGUYRKSA-N	0	3	209.337	1.608	10	30		BDEEHN
CN1CCC[C@@H](Nc2ccc(C#N)cn2)C1	ZINC000042277164	173020594	/nfs/dbraw/zinc/02/05/94/173020594.db2.gz	BTSLFDHQQGWSRD-LLVKDONJSA-N	0	3	216.288	1.459	10	30		BDEEHN
COCCN(C)Cc1ccc(C#CCO)cc1	ZINC000049614800	174280943	/nfs/dbraw/zinc/28/09/43/174280943.db2.gz	INSFLVSBLOMVJN-UHFFFAOYSA-N	0	3	233.311	1.109	10	30		BDEEHN
C[C@@H](C#N)CN(C)[C@@H](CN)c1ccc(F)cc1	ZINC000042915508	175596301	/nfs/dbraw/zinc/59/63/01/175596301.db2.gz	BKGYGWYOIXBWJO-GWCFXTLKSA-N	0	3	235.306	1.917	10	30		BDEEHN
C[C@H](S)[C@@H]1NCCc2ccc(O)cc21	ZINC000083663901	177026330	/nfs/dbraw/zinc/02/63/30/177026330.db2.gz	SFSPDSYQCYNMPH-CPCISQLKSA-N	0	3	209.314	1.897	10	30		BDEEHN
C[C@H]1CCCN1C(=O)c1cccc(C#CCN)c1	ZINC000037912570	177107777	/nfs/dbraw/zinc/10/77/77/177107777.db2.gz	QXEMDJTVODUVOX-LBPRGKRZSA-N	0	3	242.322	1.621	10	30		BDEEHN
C[C@H]1C[C@@H]1C(=O)NCc1ccc(C#CCN)cc1	ZINC000049586295	177340458	/nfs/dbraw/zinc/34/04/58/177340458.db2.gz	KVLIWSNHMPIVSL-FZMZJTMJSA-N	0	3	242.322	1.269	10	30		BDEEHN
C[C@H]1C[C@@H]1C(=O)NCc1ccccc1C#CCN	ZINC000049586409	177340790	/nfs/dbraw/zinc/34/07/90/177340790.db2.gz	UPEYFMMOVOSJSO-FZMZJTMJSA-N	0	3	242.322	1.269	10	30		BDEEHN
CCN1CCC[C@@H](Nc2cc(C#N)ncn2)C1	ZINC000310086599	326183472	/nfs/dbraw/zinc/18/34/72/326183472.db2.gz	NYQSKOLEGFOBAX-SNVBAGLBSA-N	0	3	231.303	1.244	10	30		BDEEHN
CC#CCN1C[C@H]2CCCCN2C[C@H]1CC	ZINC000129811358	490171226	/nfs/dbraw/zinc/17/12/26/490171226.db2.gz	UGOZCXCRYLHKNY-ZIAGYGMSSA-N	0	3	220.360	1.958	10	30		BDEEHN
C=CC[C@H](C)NC(=O)N[C@@H]1CCCN(CC)C1	ZINC000117037508	534337071	/nfs/dbraw/zinc/33/70/71/534337071.db2.gz	JZCGPYJWWDBAIR-NWDGAFQWSA-N	0	3	239.363	1.735	10	30		BDEEHN
C=CCCCC(=O)N1CCO[C@H](CN(C)C)C1	ZINC000175695326	534650829	/nfs/dbraw/zinc/65/08/29/534650829.db2.gz	SAKZWOJNKBAKBB-GFCCVEGCSA-N	0	3	240.347	1.132	10	30		BDEEHN
OCC#Cc1csc(CN2CCCC2)c1	ZINC000043689779	582806088	/nfs/dbraw/zinc/80/60/88/582806088.db2.gz	STTRQEBKAXTSKW-UHFFFAOYSA-N	0	3	221.325	1.688	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1NCCC1OCCO1	ZINC000308884240	632080682	/nfs/dbraw/zinc/08/06/82/632080682.db2.gz	RSVZKSZWMKOMLD-UWVGGRQHSA-N	0	3	210.277	1.031	10	30		BDEEHN
C[C@H](NCCCC(C)(C)C#N)c1cn(C)nn1	ZINC000720596782	712856470	/nfs/dbraw/zinc/85/64/70/712856470.db2.gz	UOCGKFUXQMCLMU-JTQLQIEISA-N	0	3	235.335	1.796	10	30		BDEEHN
CC(C)(C)OC(=O)C#C[C@@H]1CCCCCN1	ZINC000685954080	538898694	/nfs/dbraw/zinc/89/86/94/538898694.db2.gz	RXLBYTDMOLJOFS-NSHDSACASA-N	0	3	223.316	1.864	10	30		BDEEHN
CCCC[C@H](N)C#CC(=O)OC(C)(C)C	ZINC000685954303	538899444	/nfs/dbraw/zinc/89/94/44/538899444.db2.gz	UYPPGLRDARSWFY-JTQLQIEISA-N	0	3	211.305	1.849	10	30		BDEEHN
CC1(C#N)CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000226319118	398186632	/nfs/dbraw/zinc/18/66/32/398186632.db2.gz	AEHWDZVAHBNXOL-GHMZBOCLSA-N	0	3	208.305	1.525	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1NCCC1(O)CCC1	ZINC000397670279	398190214	/nfs/dbraw/zinc/19/02/14/398190214.db2.gz	NIPHKRNKJMIUND-QWRGUYRKSA-N	0	3	208.305	1.573	10	30		BDEEHN
Cc1cc(NC(=N)N)nc2ccccc12	ZINC000034027567	178123857	/nfs/dbraw/zinc/12/38/57/178123857.db2.gz	PBIUQBDINOYEEJ-UHFFFAOYSA-N	0	3	200.245	1.448	10	30		BDEEHN
CCNC(=NN)c1ccc(Br)cc1	ZINC000042035692	361927572	/nfs/dbraw/zinc/92/75/72/361927572.db2.gz	GQVFWONGLBVSBY-UHFFFAOYSA-N	0	3	242.120	1.679	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1NCC[C@@H]1CCCO1	ZINC000054826044	136372928	/nfs/dbraw/zinc/37/29/28/136372928.db2.gz	CFHHOBDNPXCBAS-SRVKXCTJSA-N	0	3	208.305	1.837	10	30		BDEEHN
N#C[C@@H](c1ccc(F)cc1)N1CC(N)C1	ZINC000409441025	343855212	/nfs/dbraw/zinc/85/52/12/343855212.db2.gz	NNRRNGTZPXJTNJ-NSHDSACASA-N	0	3	205.236	1.033	10	30		BDEEHN
N#Cc1cccc(NC(=O)C2(N)CCOCC2)c1	ZINC000127712484	344613933	/nfs/dbraw/zinc/61/39/33/344613933.db2.gz	YOWCDQOMPFKMOR-UHFFFAOYSA-N	0	3	245.282	1.005	10	30		BDEEHN
N#Cc1cc(CN)c(OC(F)(F)F)cn1	ZINC000238634668	345098474	/nfs/dbraw/zinc/09/84/74/345098474.db2.gz	CNHLQMILDGFIEW-UHFFFAOYSA-N	0	3	217.150	1.311	10	30		BDEEHN
CC(C)(C#N)N1CCN(CC2CC2)CC1	ZINC000112765466	534998896	/nfs/dbraw/zinc/99/88/96/534998896.db2.gz	SUQLXGWKJVKZAU-UHFFFAOYSA-N	0	3	207.321	1.316	10	30		BDEEHN
CN1CCC[C@@H]1CN[C@@H]1CCC[C@H]1C#N	ZINC000300358116	345795422	/nfs/dbraw/zinc/79/54/22/345795422.db2.gz	BPYUCMXNIXNWKJ-QJPTWQEYSA-N	0	3	207.321	1.362	10	30		BDEEHN
CO[C@H]1C[C@@H](CO)N(Cc2cccc(C#N)c2)C1	ZINC000311155117	537918775	/nfs/dbraw/zinc/91/87/75/537918775.db2.gz	WZVDKDCVSQWQPS-KBPBESRZSA-N	0	3	246.310	1.140	10	30		BDEEHN
C=CCCO[C@@H](C)C(=O)N1CC[C@@H](N(C)C)C1	ZINC000170854932	346462473	/nfs/dbraw/zinc/46/24/73/346462473.db2.gz	CXKULUWQXOOPMI-NWDGAFQWSA-N	0	3	240.347	1.130	10	30		BDEEHN
CC(C#N)C(=O)N[C@@H](C)COCc1ccccc1	ZINC000345617057	365903516	/nfs/dbraw/zinc/90/35/16/365903516.db2.gz	YGXAXOCDRPFBDR-NEPJUHHUSA-N	0	3	246.310	1.868	10	30		BDEEHN
Cc1ccccc1C(C#N)C(=O)[C@H]1COCCO1	ZINC000055301959	179316228	/nfs/dbraw/zinc/31/62/28/179316228.db2.gz	RLMLYDVNUAKCQS-CHWSQXEVSA-N	0	3	245.278	1.587	10	30		BDEEHN
C[C@H](NC(=O)[C@H](N)CCCCC#N)C1CC1	ZINC000594426490	348051880	/nfs/dbraw/zinc/05/18/80/348051880.db2.gz	RUPPCVREHQDOQF-GXSJLCMTSA-N	0	3	223.320	1.312	10	30		BDEEHN
COc1cc(CNC2CC(CO)C2)ccc1C#N	ZINC000595001109	348169567	/nfs/dbraw/zinc/16/95/67/348169567.db2.gz	QVKGUQKFYZQYOL-UHFFFAOYSA-N	0	3	246.310	1.427	10	30		BDEEHN
N#Cc1ccnc([S@](=O)C[C@H]2CCCCN2)c1	ZINC000095073471	191053997	/nfs/dbraw/zinc/05/39/97/191053997.db2.gz	JSNSJYDNJBCRIS-DIFFPNOSSA-N	0	3	249.339	1.203	10	30		BDEEHN
Cc1nccn1Cc1ccc(F)c(C#CCN)c1	ZINC000049610092	180269910	/nfs/dbraw/zinc/26/99/10/180269910.db2.gz	GJJGDZMACQWHDQ-UHFFFAOYSA-N	0	3	243.285	1.689	10	30		BDEEHN
C=C(C)[C@H](N)c1cnn(C)c1Br	ZINC000306754830	350967008	/nfs/dbraw/zinc/96/70/08/350967008.db2.gz	PYMYLFHISONQME-ZETCQYMHSA-N	0	3	230.109	1.759	10	30		BDEEHN
CNC1(C(=O)C2=CCCCO2)CCCC1	ZINC000306757823	350971650	/nfs/dbraw/zinc/97/16/50/350971650.db2.gz	SWRYYBYQYCBGBE-UHFFFAOYSA-N	0	3	209.289	1.782	10	30		BDEEHN
C=C(CS)CN1CCSC[C@@H]1C	ZINC000231631525	350988900	/nfs/dbraw/zinc/98/89/00/350988900.db2.gz	OLQZUBYUMNRBDA-VIFPVBQESA-N	0	3	203.376	1.910	10	30		BDEEHN
CN1CCN[C@H](c2cccc(C#N)c2)C1	ZINC000616631970	351109522	/nfs/dbraw/zinc/10/95/22/351109522.db2.gz	BQVVMFWIHDTZNI-LBPRGKRZSA-N	0	3	201.273	1.134	10	30		BDEEHN
CC(C)N1CCN[C@H](c2ccc(C#N)cc2)C1	ZINC000616632559	351112965	/nfs/dbraw/zinc/11/29/65/351112965.db2.gz	LUXGYQPUOPAVBE-AWEZNQCLSA-N	0	3	229.327	1.913	10	30		BDEEHN
CN1CCNC[C@@H]1c1ccccc1C#N	ZINC000616637673	351134974	/nfs/dbraw/zinc/13/49/74/351134974.db2.gz	QEACLDCANCVMLF-GFCCVEGCSA-N	0	3	201.273	1.134	10	30		BDEEHN
CCN1CCOC[C@H](c2ccc(C#N)cc2)C1	ZINC000616658368	351203738	/nfs/dbraw/zinc/20/37/38/351203738.db2.gz	DIUQJOPYAYHIHV-CQSZACIVSA-N	0	3	230.311	1.994	10	30		BDEEHN
CCN1CCOC[C@@H](c2cccc(C#N)c2)C1	ZINC000616660527	351205273	/nfs/dbraw/zinc/20/52/73/351205273.db2.gz	JNINEBHHYTYINE-AWEZNQCLSA-N	0	3	230.311	1.994	10	30		BDEEHN
CCN1CCOC[C@@H](c2ccccc2C#N)C1	ZINC000616661202	351214078	/nfs/dbraw/zinc/21/40/78/351214078.db2.gz	LRBDIJXTQFNURR-ZDUSSCGKSA-N	0	3	230.311	1.994	10	30		BDEEHN
Cc1cscc1NC(=NN)NC(C)C	ZINC000307002897	351413487	/nfs/dbraw/zinc/41/34/87/351413487.db2.gz	CQKHTHUACRTYNI-UHFFFAOYSA-N	0	3	212.322	1.696	10	30		BDEEHN
N#CCCCN1CC[C@]2(O)CCCC[C@H]2C1	ZINC000088022535	351513081	/nfs/dbraw/zinc/51/30/81/351513081.db2.gz	NRPLPJNXJUTIPY-QWHCGFSZSA-N	0	3	222.332	1.917	10	30		BDEEHN
CC[C@@H](C#N)C(=O)N[C@H](CC(C)C)CN(C)C	ZINC000044825880	352442577	/nfs/dbraw/zinc/44/25/77/352442577.db2.gz	PUWVPOOQNAVJPR-NWDGAFQWSA-N	0	3	239.363	1.629	10	30		BDEEHN
C#CCOc1c(CNCC)cccc1OC	ZINC000037709583	358476255	/nfs/dbraw/zinc/47/62/55/358476255.db2.gz	LRNDVXHXNWNUKK-UHFFFAOYSA-N	0	3	219.284	1.817	10	30		BDEEHN
C=CCC[C@@H](O)CN1CCC[C@H]1c1cnn(C)c1	ZINC000126941490	353254075	/nfs/dbraw/zinc/25/40/75/353254075.db2.gz	DMWPOAJHYQVPJT-KGLIPLIRSA-N	0	3	249.358	1.884	10	30		BDEEHN
C#CCSCCNC(=O)[C@H](CCC)N(C)C	ZINC000163240331	353347878	/nfs/dbraw/zinc/34/78/78/353347878.db2.gz	BUVBUBCUQBAXAU-NSHDSACASA-N	0	3	242.388	1.199	10	30		BDEEHN
COC(=O)[C@H]1CCN(CCCCC#N)C[C@H]1C	ZINC000191852067	353514251	/nfs/dbraw/zinc/51/42/51/353514251.db2.gz	MJRYNTSXUYJBEB-NEPJUHHUSA-N	0	3	238.331	1.811	10	30		BDEEHN
CNC(=NN)c1ccc(C)cc1Br	ZINC000129582373	353573252	/nfs/dbraw/zinc/57/32/52/353573252.db2.gz	MTEYAFHPXDQYEQ-UHFFFAOYSA-N	0	3	242.120	1.597	10	30		BDEEHN
N#CC1(N2CCCCCC2)CCNCC1	ZINC000019685204	181029627	/nfs/dbraw/zinc/02/96/27/181029627.db2.gz	VDNZESPXIYBAOR-UHFFFAOYSA-N	0	3	207.321	1.508	10	30		BDEEHN
N#C[C@@H]1CCCC[C@@H]1NC1(CO)CCCC1	ZINC000054829834	181058195	/nfs/dbraw/zinc/05/81/95/181058195.db2.gz	VIMWZNLEPBOGQE-RYUDHWBXSA-N	0	3	222.332	1.963	10	30		BDEEHN
N#C[C@@H]1CCCC[C@@H]1N1CCCC[C@@H]1CO	ZINC000042432237	181058437	/nfs/dbraw/zinc/05/84/37/181058437.db2.gz	WRIQAKQYCNJMTP-XQQFMLRXSA-N	0	3	222.332	1.916	10	30		BDEEHN
N#Cc1ccc(CNC[C@@H]2CCC[C@@H]2O)c(F)c1	ZINC000089169315	181107944	/nfs/dbraw/zinc/10/79/44/181107944.db2.gz	CJBZVJJDXXIBCL-JSGCOSHPSA-N	0	3	248.301	1.948	10	30		BDEEHN
N#Cc1ccc(CNC2=NCCS2)cc1	ZINC000051354688	181107110	/nfs/dbraw/zinc/10/71/10/181107110.db2.gz	DSUYRSIVTCHWOA-UHFFFAOYSA-N	0	3	217.297	1.751	10	30		BDEEHN
N#Cc1ccc(F)c(CNC[C@@H]2CCCO2)c1	ZINC000020055577	181113103	/nfs/dbraw/zinc/11/31/03/181113103.db2.gz	GERNNEVQPAMZDM-LBPRGKRZSA-N	0	3	234.274	1.966	10	30		BDEEHN
N#Cc1ccccc1CN[C@H]1CCCC[C@@H]1O	ZINC000052013042	181146105	/nfs/dbraw/zinc/14/61/05/181146105.db2.gz	GEMDYTPWSXRLDB-KBPBESRZSA-N	0	3	230.311	1.951	10	30		BDEEHN
N#Cc1cccnc1[S@@](=O)C[C@@H]1CCCCN1	ZINC000095073464	181154539	/nfs/dbraw/zinc/15/45/39/181154539.db2.gz	HETZIFPBQGMXCV-APPDUMDISA-N	0	3	249.339	1.203	10	30		BDEEHN
N#Cc1ccsc1NC(=O)[C@H]1CCCCN1	ZINC000040851935	181161825	/nfs/dbraw/zinc/16/18/25/181161825.db2.gz	SDCVXHGFDZLOSH-SECBINFHSA-N	0	3	235.312	1.700	10	30		BDEEHN
[NH2+]=C(C[S-])N[C@H]1CCc2ccccc21	ZINC000147266611	181184385	/nfs/dbraw/zinc/18/43/85/181184385.db2.gz	KBPBUOZOBDKBHF-JTQLQIEISA-N	0	3	206.314	1.961	10	30		BDEEHN
CCN1CCC[C@H]1CN(C)c1ccncc1C#N	ZINC000399374766	356477484	/nfs/dbraw/zinc/47/74/84/356477484.db2.gz	AVGPXEYLJYLPDM-ZDUSSCGKSA-N	0	3	244.342	1.874	10	30		BDEEHN
N#Cc1ccc(-c2cnn3c2CNCC3)cc1	ZINC000675080881	538520245	/nfs/dbraw/zinc/52/02/45/538520245.db2.gz	XCGQTJCQXAMYGG-UHFFFAOYSA-N	0	3	224.267	1.525	10	30		BDEEHN
CCN1CCC[C@@H]1CN(C)c1ncncc1C#N	ZINC000385046709	356876165	/nfs/dbraw/zinc/87/61/65/356876165.db2.gz	BOFYDBZPBOUCIL-GFCCVEGCSA-N	0	3	245.330	1.269	10	30		BDEEHN
CCN1CC[C@H](NC(=O)[C@](C)(C#N)CC)C1	ZINC000389666325	357012990	/nfs/dbraw/zinc/01/29/90/357012990.db2.gz	DDFKWNQWRVMZNB-JQWIXIFHSA-N	0	3	223.320	1.137	10	30		BDEEHN
C=C(CS)CN1CC[C@@H](C)[C@H](O)C1	ZINC000299965724	358957795	/nfs/dbraw/zinc/95/77/95/358957795.db2.gz	MPIRDIGPLDCQDE-NXEZZACHSA-N	0	3	201.335	1.175	10	30		BDEEHN
C=C(C)[C@H](CO)NC(C)(C)c1cnn(C)c1	ZINC000309670063	491154326	/nfs/dbraw/zinc/15/43/26/491154326.db2.gz	JLZCCVVLTQSGIE-NSHDSACASA-N	0	3	223.320	1.182	10	30		BDEEHN
C=CCCNCC(=O)NCc1ccccc1	ZINC000070591745	361578481	/nfs/dbraw/zinc/57/84/81/361578481.db2.gz	YXCFQTRKVDUDMF-UHFFFAOYSA-N	0	3	218.300	1.469	10	30		BDEEHN
NCC#Cc1ccccc1C(=O)Nc1ccon1	ZINC000061684444	181346144	/nfs/dbraw/zinc/34/61/44/181346144.db2.gz	FNHFKJOMXJFNNS-UHFFFAOYSA-N	0	3	241.250	1.237	10	30		BDEEHN
NCC#Cc1cccc(OCCn2cccn2)c1	ZINC000049326295	181345755	/nfs/dbraw/zinc/34/57/55/181345755.db2.gz	ZEYOIJPVMYODNC-UHFFFAOYSA-N	0	3	241.294	1.272	10	30		BDEEHN
NCC#Cc1ccc(CO[C@H]2CCOC2)cc1	ZINC000104102818	181346938	/nfs/dbraw/zinc/34/69/38/181346938.db2.gz	PNJABYYSDZXQGP-AWEZNQCLSA-N	0	3	231.295	1.302	10	30		BDEEHN
NCC#Cc1cncc(C(=O)NC2CCCC2)c1	ZINC000049629251	181348320	/nfs/dbraw/zinc/34/83/20/181348320.db2.gz	JVKUQYKNOHPTIB-UHFFFAOYSA-N	0	3	243.310	1.064	10	30		BDEEHN
C#CCN(C)CCCNC(=O)[C@H]1CCC[C@@H]1C	ZINC000383217657	367607124	/nfs/dbraw/zinc/60/71/24/367607124.db2.gz	YPVLUJIWRJRCKI-STQMWFEESA-N	0	3	236.359	1.494	10	30		BDEEHN
Cc1nccn1CCN[C@@H]1CCC[C@H]1C#N	ZINC000390570140	371217278	/nfs/dbraw/zinc/21/72/78/371217278.db2.gz	NAPRPHJUAZCTBL-NWDGAFQWSA-N	0	3	218.304	1.473	10	30		BDEEHN
N#C[C@H]1CCCC[C@@H]1NCC1(O)CCC1	ZINC000131168875	371308963	/nfs/dbraw/zinc/30/89/63/371308963.db2.gz	DEACEBKBKFAZGB-MNOVXSKESA-N	0	3	208.305	1.573	10	30		BDEEHN
CC(C)=CC(=O)[C@@H]1CN(C)CCCN1C	ZINC000132259396	371776851	/nfs/dbraw/zinc/77/68/51/371776851.db2.gz	JOJCNPNREWCANP-NSHDSACASA-N	0	3	210.321	1.158	10	30		BDEEHN
CNCC#Cc1occc1Br	ZINC000229453842	372152881	/nfs/dbraw/zinc/15/28/81/372152881.db2.gz	YUNQZISOINCYAN-UHFFFAOYSA-N	0	3	214.062	1.613	10	30		BDEEHN
C=C(C)CN(C)C(=O)N[C@H]1CCCN(CC)C1	ZINC000181414726	134339028	/nfs/dbraw/zinc/33/90/28/134339028.db2.gz	JRVFHFLBOPVLGW-LBPRGKRZSA-N	0	3	239.363	1.688	10	30		BDEEHN
C#CCNCc1cc2cc(OC)ccc2n1C	ZINC000029414054	387052323	/nfs/dbraw/zinc/05/23/23/387052323.db2.gz	PHOSPXFMBUITGW-UHFFFAOYSA-N	0	3	228.295	1.910	10	30		BDEEHN
C[C@@H]1N=C(NCC2CSC2)S[C@H]1C	ZINC000575469315	387088590	/nfs/dbraw/zinc/08/85/90/387088590.db2.gz	GRUYUMIMQIWDFA-BQBZGAKWSA-N	0	3	216.375	1.819	10	30		BDEEHN
N#Cc1cc(N2CCN3CCCC[C@@H]3C2)ccn1	ZINC000094439913	387095483	/nfs/dbraw/zinc/09/54/83/387095483.db2.gz	SMDXIOUUMUEYPP-CQSZACIVSA-N	0	3	242.326	1.628	10	30		BDEEHN
C=CCNC[C@H](O)COc1cc(C)cc(C)c1	ZINC000033465471	387104323	/nfs/dbraw/zinc/10/43/23/387104323.db2.gz	OTQPZWFYRWYSKF-ZDUSSCGKSA-N	0	3	235.327	1.819	10	30		BDEEHN
C=CCN1CCC[C@@H](Cc2noc(C)n2)C1	ZINC000195518172	387922751	/nfs/dbraw/zinc/92/27/51/387922751.db2.gz	GUEMKIABHADZBS-NSHDSACASA-N	0	3	221.304	1.819	10	30		BDEEHN
C=CCC[C@H](O)CN1CCS[C@@H](C)C1	ZINC000245993776	388001344	/nfs/dbraw/zinc/00/13/44/388001344.db2.gz	GYQPWHFCSXFQBL-QWRGUYRKSA-N	0	3	215.362	1.751	10	30		BDEEHN
C#CCCN1CCC[C@H]1c1cnn(C)c1	ZINC000270605806	388648064	/nfs/dbraw/zinc/64/80/64/388648064.db2.gz	MLPFXGGGHVHLJW-LBPRGKRZSA-N	0	3	203.289	1.580	10	30		BDEEHN
N#Cc1ccnc([S@](=O)C[C@@H]2CCCCN2)c1	ZINC000095073469	388758521	/nfs/dbraw/zinc/75/85/21/388758521.db2.gz	JSNSJYDNJBCRIS-GTNSWQLSSA-N	0	3	249.339	1.203	10	30		BDEEHN
CCC(C#N)C(=O)N1CCCC[C@H]1C(=O)OC	ZINC000156892305	388824310	/nfs/dbraw/zinc/82/43/10/388824310.db2.gz	QEZVFENMFWYXPT-UWVGGRQHSA-N	0	3	238.287	1.090	10	30		BDEEHN
C[C@H]1CN(c2cccc(C#N)c2)CCN1	ZINC000054348230	132364082	/nfs/dbraw/zinc/36/40/82/132364082.db2.gz	BFRBTXRKEIQILE-JTQLQIEISA-N	0	3	201.273	1.356	10	30		BDEEHN
Cc1ccc(C#N)c(N2CCNCC2)c1	ZINC000051578140	132361176	/nfs/dbraw/zinc/36/11/76/132361176.db2.gz	MRHMHYUGSKNAPG-UHFFFAOYSA-N	0	3	201.273	1.276	10	30		BDEEHN
N#CCC[C@@H](C#N)CN1CCCN(C2CC2)CC1	ZINC000171988683	134263856	/nfs/dbraw/zinc/26/38/56/134263856.db2.gz	YPPICZANBXAXFC-ZDUSSCGKSA-N	0	3	246.358	1.600	10	30		BDEEHN
CC#CCCN1CCN2CCCC[C@H]2C1	ZINC000248389825	135001971	/nfs/dbraw/zinc/00/19/71/135001971.db2.gz	HCAWPGCVFVDDFX-ZDUSSCGKSA-N	0	3	206.333	1.570	10	30		BDEEHN
CC#CCCN1C[C@H]2CCCCN2C[C@H]1C	ZINC000252839318	135112022	/nfs/dbraw/zinc/11/20/22/135112022.db2.gz	ZVSXWNXWOFGEHB-ZIAGYGMSSA-N	0	3	220.360	1.958	10	30		BDEEHN
C[C@H]1CN(C)CC[C@H]1N(C)c1cnc(C#N)cn1	ZINC000274705799	135367600	/nfs/dbraw/zinc/36/76/00/135367600.db2.gz	RVHAFXCKYNWNBQ-CMPLNLGQSA-N	0	3	245.330	1.125	10	30		BDEEHN
C#CCNCCOc1cccc2cccnc21	ZINC000053585798	166187717	/nfs/dbraw/zinc/18/77/17/166187717.db2.gz	CLWDVCUCJNJYAK-UHFFFAOYSA-N	0	3	226.279	1.836	10	30		BDEEHN
C#CCN[C@H](C)c1ccc(NC(N)=O)cc1	ZINC000037184902	166192646	/nfs/dbraw/zinc/19/26/46/166192646.db2.gz	WMHXBANGJUHGJX-SECBINFHSA-N	0	3	217.272	1.461	10	30		BDEEHN
C#Cc1cccc(NC(=O)[C@@H](N)[C@H](C)CC)c1	ZINC000019439182	166222715	/nfs/dbraw/zinc/22/27/15/166222715.db2.gz	UJROHDYWJBVBEC-MFKMUULPSA-N	0	3	230.311	1.980	10	30		BDEEHN
C=CCNC(=O)N(C)C[C@H]1CCCN1CC	ZINC000176367782	166375155	/nfs/dbraw/zinc/37/51/55/166375155.db2.gz	ZJEQIMAGMDKKSN-LLVKDONJSA-N	0	3	225.336	1.298	10	30		BDEEHN
C=CCNC(=S)N1CCC[C@@H]1CN(C)C	ZINC000071084472	166395932	/nfs/dbraw/zinc/39/59/32/166395932.db2.gz	OVVGAXJXILBXBY-SNVBAGLBSA-N	0	3	227.377	1.073	10	30		BDEEHN
CC(C)OCCOCc1ccc(C#CCN)cc1	ZINC000049610775	167248283	/nfs/dbraw/zinc/24/82/83/167248283.db2.gz	MEFSDOMODXYZRT-UHFFFAOYSA-N	0	3	247.338	1.938	10	30		BDEEHN
CCNC(=O)N(C)Cc1ccccc1C#CCN	ZINC000049587423	170071515	/nfs/dbraw/zinc/07/15/15/170071515.db2.gz	GEEODZKGWMYJRN-UHFFFAOYSA-N	0	3	245.326	1.158	10	30		BDEEHN
CCNC(=O)N(C)Cc1cccc(C#CCN)c1	ZINC000049587432	170071577	/nfs/dbraw/zinc/07/15/77/170071577.db2.gz	VTKGARSNMQVDRE-UHFFFAOYSA-N	0	3	245.326	1.158	10	30		BDEEHN
CCOC(=O)C(C#N)Cc1cccs1	ZINC000039645164	170244617	/nfs/dbraw/zinc/24/46/17/170244617.db2.gz	ODDHPUZWAIDXGP-MRVPVSSYSA-N	0	3	209.270	1.993	10	30		BDEEHN
CC[C@@](C)(C=O)CN1CCN(CC2CC2)CC1	ZINC000051205032	171163463	/nfs/dbraw/zinc/16/34/63/171163463.db2.gz	LBMGNUJYZBGFCJ-CQSZACIVSA-N	0	3	238.375	1.629	10	30		BDEEHN
C=CC[C@@H]1CCCN(C(=O)[C@@H](C)NC)C1	ZINC000662630066	412249249	/nfs/dbraw/zinc/24/92/49/412249249.db2.gz	IATGOKKHJAAPEL-GHMZBOCLSA-N	0	3	210.321	1.409	10	30		BDEEHN
CN1CCCN(c2ccc(C#N)cc2N)CC1	ZINC000035674261	173017888	/nfs/dbraw/zinc/01/78/88/173017888.db2.gz	GDTIRYPSSPWLEY-UHFFFAOYSA-N	0	3	230.315	1.282	10	30		BDEEHN
CN1CC[C@@H](Nc2cc(C#N)ccn2)C1	ZINC000049086250	173126028	/nfs/dbraw/zinc/12/60/28/173126028.db2.gz	YNXIKBCCDKVGRJ-SNVBAGLBSA-N	0	3	202.261	1.069	10	30		BDEEHN
CN1CC[C@@H](Nc2ccc(CC#N)cc2)C1	ZINC000061986491	173126212	/nfs/dbraw/zinc/12/62/12/173126212.db2.gz	PXTLLIWYSUZPPJ-CYBMUJFWSA-N	0	3	215.300	1.869	10	30		BDEEHN
COCCOCc1ccc(F)c(C#CCN)c1	ZINC000049610719	174364345	/nfs/dbraw/zinc/36/43/45/174364345.db2.gz	KSJTXHIOYZRUEE-UHFFFAOYSA-N	0	3	237.274	1.299	10	30		BDEEHN
COc1ccc(C#CCN)cc1NC(=O)C1CC1	ZINC000049587354	175050898	/nfs/dbraw/zinc/05/08/98/175050898.db2.gz	YPNJQYMTMGNPQQ-UHFFFAOYSA-N	0	3	244.294	1.354	10	30		BDEEHN
C[C@@H]1CN(Cc2cccc(C#CCN)c2)CCO1	ZINC000049608501	176304605	/nfs/dbraw/zinc/30/46/05/176304605.db2.gz	XWFIPEYOCRBNAL-CYBMUJFWSA-N	0	3	244.338	1.218	10	30		BDEEHN
C[C@H](c1cccc(C#CCN)c1)N1CCCC1=O	ZINC000049587787	177034983	/nfs/dbraw/zinc/03/49/83/177034983.db2.gz	MZROVDPOTZMECQ-GFCCVEGCSA-N	0	3	242.322	1.680	10	30		BDEEHN
C[C@H]1CNC[C@@H](c2ccc(C#N)cc2)O1	ZINC000036986381	177285969	/nfs/dbraw/zinc/28/59/69/177285969.db2.gz	OSUKNIZYVKSGHG-CABZTGNLSA-N	0	3	202.257	1.608	10	30		BDEEHN
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COCC#CCC(=O)CCNCc1ccccc1	ZINC000685958522	538905951	/nfs/dbraw/zinc/90/59/51/538905951.db2.gz	DOJRWURWXGIRGC-UHFFFAOYSA-N	0	3	245.322	1.775	10	30		BDEEHN
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CCC#C[C@H](C)N[C@@H]1CCC(=O)N[C@@H]1C	ZINC000380171773	538987105	/nfs/dbraw/zinc/98/71/05/538987105.db2.gz	DRECSUCGMJEFFN-HBNTYKKESA-N	0	3	208.305	1.045	10	30		BDEEHN
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CC[C@](C)(O)CN[C@H]1CCCC[C@@H]1C#N	ZINC000083465383	343608031	/nfs/dbraw/zinc/60/80/31/343608031.db2.gz	JJCMZRDKYPCPDO-WOPDTQHZSA-N	0	3	210.321	1.819	10	30		BDEEHN
C#CCn1nc(-c2ccsc2)cc1CNC	ZINC000409443982	343864030	/nfs/dbraw/zinc/86/40/30/343864030.db2.gz	XUCJTNUPADHETL-UHFFFAOYSA-N	0	3	231.324	1.964	10	30		BDEEHN
Cn1cncc1[C@@](C)(N)c1ccc(C#N)c(F)c1	ZINC000143347767	345865234	/nfs/dbraw/zinc/86/52/34/345865234.db2.gz	JFKANKQIIHQENU-ZDUSSCGKSA-N	0	3	244.273	1.653	10	30		BDEEHN
C#C[C@H](NCc1cnn(C)c1C)C(C)C	ZINC000289573563	345918490	/nfs/dbraw/zinc/91/84/90/345918490.db2.gz	SSTOFLKBJVUROL-LBPRGKRZSA-N	0	3	205.305	1.476	10	30		BDEEHN
N#C[C@H]1CCC[C@@H]1NCCCn1ccnc1	ZINC000309544861	347097521	/nfs/dbraw/zinc/09/75/21/347097521.db2.gz	ZKHYABKUYPREBF-NEPJUHHUSA-N	0	3	218.304	1.555	10	30		BDEEHN
NN=C(N)Nc1ccc(F)c(Br)c1	ZINC000164602665	346612466	/nfs/dbraw/zinc/61/24/66/346612466.db2.gz	NQUNNYDPNOIHLR-UHFFFAOYSA-N	0	3	247.071	1.189	10	30		BDEEHN
C#CCNCc1ccc(OC)c(OCC)c1	ZINC000020084663	347349929	/nfs/dbraw/zinc/34/99/29/347349929.db2.gz	RVXZSAJBYFULJU-UHFFFAOYSA-N	0	3	219.284	1.817	10	30		BDEEHN
O=C[C@@H]1CCCCN1[C@H]1CCCC[C@@H]1O	ZINC000251090594	362837384	/nfs/dbraw/zinc/83/73/84/362837384.db2.gz	IFYQILGSUMGCNU-SRVKXCTJSA-N	0	3	211.305	1.343	10	30		BDEEHN
CC(C#N)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000036935185	347965008	/nfs/dbraw/zinc/96/50/08/347965008.db2.gz	UYTKXCBJCQOVHG-ZETCQYMHSA-N	0	3	204.185	1.937	10	30		BDEEHN
C=CCCOCCNC(=O)[C@H](CCC)N(C)C	ZINC000128164275	323174351	/nfs/dbraw/zinc/17/43/51/323174351.db2.gz	AWFGPEVAEOVEEH-LBPRGKRZSA-N	0	3	242.363	1.426	10	30		BDEEHN
N#Cc1csc(CNC2CC(CO)C2)c1	ZINC000595001598	348169231	/nfs/dbraw/zinc/16/92/31/348169231.db2.gz	YEBFYKWCUBHNTM-UHFFFAOYSA-N	0	3	222.313	1.480	10	30		BDEEHN
Cn1cncc1CCN[C@@H]1CCC[C@H]1C#N	ZINC000401851073	348202298	/nfs/dbraw/zinc/20/22/98/348202298.db2.gz	SQHUGXPVDCVQBT-CMPLNLGQSA-N	0	3	218.304	1.244	10	30		BDEEHN
C=CCCSCCNC(=O)[C@H]1C[C@H](F)CN1	ZINC000595940766	348409554	/nfs/dbraw/zinc/40/95/54/348409554.db2.gz	VNKSGAQFXHYZAT-VHSXEESVSA-N	0	3	246.351	1.112	10	30		BDEEHN
CN1CCOC[C@@H](c2ccc(C#N)cc2)C1	ZINC000616598105	350654917	/nfs/dbraw/zinc/65/49/17/350654917.db2.gz	OMZFJAPXOJWJEU-ZDUSSCGKSA-N	0	3	216.284	1.604	10	30		BDEEHN
C=C(CS)CN1CCS[C@H](C)C1	ZINC000231633310	350990965	/nfs/dbraw/zinc/99/09/65/350990965.db2.gz	HPKJMMQWXNTJPH-SECBINFHSA-N	0	3	203.376	1.910	10	30		BDEEHN
CC(C#N)C(=O)N1CCC[C@@H]1c1cnn(C)c1	ZINC000336714630	351104254	/nfs/dbraw/zinc/10/42/54/351104254.db2.gz	PFACNASKCXMAGY-GXSJLCMTSA-N	0	3	232.287	1.243	10	30		BDEEHN
CCN1CC[C@@H](Nc2cccc(C#N)n2)C1	ZINC000389466311	351164979	/nfs/dbraw/zinc/16/49/79/351164979.db2.gz	TYUYFOPSJBKRIW-LLVKDONJSA-N	0	3	216.288	1.459	10	30		BDEEHN
CN1CCCO[C@H](c2ccc(C#N)cc2)C1	ZINC000616653196	351188183	/nfs/dbraw/zinc/18/81/83/351188183.db2.gz	YTFMELKPFCOSAQ-ZDUSSCGKSA-N	0	3	216.284	1.951	10	30		BDEEHN
C#CCN[C@@H]1CC[C@H]2SCCS[C@H]12	ZINC000306969614	351386131	/nfs/dbraw/zinc/38/61/31/351386131.db2.gz	SITBMZVQRPOLPB-OPRDCNLKSA-N	0	3	213.371	1.589	10	30		BDEEHN
C(CN1CCO[C@@H]2CCCC[C@H]21)[C@H]1CO1	ZINC000307021488	351429905	/nfs/dbraw/zinc/42/99/05/351429905.db2.gz	XCNPSEJSQAYHKH-QJPTWQEYSA-N	0	3	211.305	1.419	10	30		BDEEHN
CC(C#N)C(=O)c1cnn2ccncc12	ZINC000231902734	351452139	/nfs/dbraw/zinc/45/21/39/351452139.db2.gz	KMUFGIMVRYZTTI-SSDOTTSWSA-N	0	3	200.201	1.072	10	30		BDEEHN
CCCCCCC[C@H](NCCN(C)C)C(N)=O	ZINC000105332801	168658615	/nfs/dbraw/zinc/65/86/15/168658615.db2.gz	WTWDNPNFBCNKCU-LBPRGKRZSA-N	0	3	243.395	1.352	10	30		BDEEHN
C=CC[C@@H]1CCN(C(=O)[C@@H](N)CCC)C1	ZINC000638472068	352281525	/nfs/dbraw/zinc/28/15/25/352281525.db2.gz	OFQKWJVHHCLGEE-MNOVXSKESA-N	0	3	210.321	1.538	10	30		BDEEHN
N#C[C@H]1CCCC[C@H]1NCCCCCO	ZINC000229125621	352591159	/nfs/dbraw/zinc/59/11/59/352591159.db2.gz	FCJCTBAZOLXIEO-VXGBXAGGSA-N	0	3	210.321	1.821	10	30		BDEEHN
C#CCOc1ccc(Br)c(CN)c1	ZINC000128035081	353278439	/nfs/dbraw/zinc/27/84/39/353278439.db2.gz	RXKQKESSMKXSBH-UHFFFAOYSA-N	0	3	240.100	1.920	10	30		BDEEHN
C=CCC(CC=C)C(=O)N1CC[C@H](N(C)C)C1	ZINC000130453777	353351122	/nfs/dbraw/zinc/35/11/22/353351122.db2.gz	XBJHDNJUSJNSBA-ZDUSSCGKSA-N	0	3	236.359	1.917	10	30		BDEEHN
N#CC1(CN2CCC[C@H]2CCCO)CC1	ZINC000343317323	353659245	/nfs/dbraw/zinc/65/92/45/353659245.db2.gz	UWTGWRBHOVCJSL-NSHDSACASA-N	0	3	208.305	1.527	10	30		BDEEHN
N#C[C@H]1CCCC[C@@H]1NC1CCOCC1	ZINC000054825375	181067264	/nfs/dbraw/zinc/06/72/64/181067264.db2.gz	AUPAOICEMUUJJR-PWSUYJOCSA-N	0	3	208.305	1.837	10	30		BDEEHN
N#C[C@H]1CCC[C@@H]1NCCCCn1ccnc1	ZINC000054828280	181068533	/nfs/dbraw/zinc/06/85/33/181068533.db2.gz	AAHAFJFZOZQVNT-OLZOCXBDSA-N	0	3	232.331	1.945	10	30		BDEEHN
N#Cc1ccc2c(c1)[C@@H](N)[C@H](O)CCC2	ZINC000039941539	181132469	/nfs/dbraw/zinc/13/24/69/181132469.db2.gz	BDNILGXQAQWVGW-VXGBXAGGSA-N	0	3	202.257	1.255	10	30		BDEEHN
N#Cc1ccccc1CNC[C@@H]1CCOC1	ZINC000038094093	181145903	/nfs/dbraw/zinc/14/59/03/181145903.db2.gz	OLPPKMCFXUDMCT-NSHDSACASA-N	0	3	216.284	1.684	10	30		BDEEHN
N/C(CCCN1CCc2ccccc2C1)=N\O	ZINC000019486789	181182385	/nfs/dbraw/zinc/18/23/85/181182385.db2.gz	FFRBATDJUNWJQR-UHFFFAOYSA-N	0	3	233.315	1.571	10	30		BDEEHN
C[C@H]1CC[C@@H](O)CN1CC1(CC#N)CC1	ZINC000399315329	355930172	/nfs/dbraw/zinc/93/01/72/355930172.db2.gz	FNEDTKDSFCJGOL-WDEREUQCSA-N	0	3	208.305	1.525	10	30		BDEEHN
CC(C)(C#N)CNC1CCC2(CC1)OCCO2	ZINC000169105340	358918169	/nfs/dbraw/zinc/91/81/69/358918169.db2.gz	YLSTZNVSWUPGQT-UHFFFAOYSA-N	0	3	238.331	1.811	10	30		BDEEHN
N#CCC[C@@H](C#N)CN1CCN2CCCC[C@@H]2C1	ZINC000246826617	359168122	/nfs/dbraw/zinc/16/81/22/359168122.db2.gz	NXOJPIQTFJWBIH-UONOGXRCSA-N	0	3	246.358	1.600	10	30		BDEEHN
C=C(Cl)CN1CCN2CCC[C@H]2C1	ZINC000247168975	359199700	/nfs/dbraw/zinc/19/97/00/359199700.db2.gz	MTHHBMGBGWBZNK-JTQLQIEISA-N	0	3	200.713	1.519	10	30		BDEEHN
C=CCN[C@@H](CO)c1cccc(OC)c1	ZINC000309080633	491144012	/nfs/dbraw/zinc/14/40/12/491144012.db2.gz	PBNGULQLSQSYFO-LBPRGKRZSA-N	0	3	207.273	1.504	10	30		BDEEHN
C#CCOc1c(CNC[C@@H](C)O)cccc1OC	ZINC000045946091	359746163	/nfs/dbraw/zinc/74/61/63/359746163.db2.gz	QYAZNAKBDFPULT-LLVKDONJSA-N	0	3	249.310	1.178	10	30		BDEEHN
CCN1CCC[C@H]1CN(C)C(=O)C1(C#N)CCC1	ZINC000093220907	360223443	/nfs/dbraw/zinc/22/34/43/360223443.db2.gz	OTKRKLSCRHQVRW-LBPRGKRZSA-N	0	3	249.358	1.623	10	30		BDEEHN
NCC#Cc1ccc(CO[C@@H]2CCOC2)cc1	ZINC000104102813	181346220	/nfs/dbraw/zinc/34/62/20/181346220.db2.gz	PNJABYYSDZXQGP-CQSZACIVSA-N	0	3	231.295	1.302	10	30		BDEEHN
NCC#Cc1ccc(CNC(=O)C2CCC2)cc1	ZINC000049586288	181346808	/nfs/dbraw/zinc/34/68/08/181346808.db2.gz	BKDBNUSFKJVVGO-UHFFFAOYSA-N	0	3	242.322	1.413	10	30		BDEEHN
NCC#Cc1cccc(N2CCCC2=O)c1	ZINC000037471391	181346831	/nfs/dbraw/zinc/34/68/31/181346831.db2.gz	XKPVGYXZVYBIDJ-UHFFFAOYSA-N	0	3	214.268	1.124	10	30		BDEEHN
NCC#Cc1ccc(Cn2cc(Cl)cn2)cc1	ZINC000049610221	181346529	/nfs/dbraw/zinc/34/65/29/181346529.db2.gz	LPOHUFKPJPXSOA-UHFFFAOYSA-N	0	3	245.713	1.895	10	30		BDEEHN
NCC#Cc1ccc(CN2CCSCC2)cc1	ZINC000049608767	181346689	/nfs/dbraw/zinc/34/66/89/181346689.db2.gz	ZXCNFPJVSOPLCN-UHFFFAOYSA-N	0	3	246.379	1.546	10	30		BDEEHN
NCC#Cc1ccccc1NC(=O)CC1CC1	ZINC000049731594	181348327	/nfs/dbraw/zinc/34/83/27/181348327.db2.gz	HICSXDPXFIDMCY-UHFFFAOYSA-N	0	3	228.295	1.735	10	30		BDEEHN
N#Cc1ccc(N2CCN3CCC[C@@H]3C2)nc1	ZINC000091015625	368957925	/nfs/dbraw/zinc/95/79/25/368957925.db2.gz	QOFHEAWVLDGZLI-GFCCVEGCSA-N	0	3	228.299	1.238	10	30		BDEEHN
CN(C[C@@H]1CCCN1C)CC(C)(C)C#N	ZINC000405082541	369444322	/nfs/dbraw/zinc/44/43/22/369444322.db2.gz	BEQLTIRMFFUKDQ-NSHDSACASA-N	0	3	209.337	1.562	10	30		BDEEHN
CC(=NNC(=N)N)c1ccc(Br)o1	ZINC000131868569	371700079	/nfs/dbraw/zinc/70/00/79/371700079.db2.gz	LIDLFXZCBRIGNA-WCIBSUBMSA-N	0	3	245.080	1.249	10	30		BDEEHN
CCCN(CC)C(=O)c1ccccc1C#CCN	ZINC000037572488	169119171	/nfs/dbraw/zinc/11/91/71/169119171.db2.gz	BEXDLVBANGODNI-UHFFFAOYSA-N	0	3	244.338	1.869	10	30		BDEEHN
CCC[C@@H](N)C(=O)Nc1sccc1C#N	ZINC000040852044	169392884	/nfs/dbraw/zinc/39/28/84/169392884.db2.gz	VZLKTPMDFQXBRV-MRVPVSSYSA-N	0	3	223.301	1.686	10	30		BDEEHN
CC(C#N)C(=O)N1C[C@@H]2CCCCN2C[C@@H]1C	ZINC000227711021	134384763	/nfs/dbraw/zinc/38/47/63/134384763.db2.gz	RFKVDGSQQIZBDZ-WOPDTQHZSA-N	0	3	235.331	1.231	10	30		BDEEHN
N#C[C@@H]1CCC[C@H]1NCC[C@H]1CCOC1	ZINC000300359401	384358375	/nfs/dbraw/zinc/35/83/75/384358375.db2.gz	IUNNDRYMRNYTJX-SDDRHHMPSA-N	0	3	208.305	1.695	10	30		BDEEHN
C#CCCN1C[C@@H]2CCCCN2C[C@H]1C	ZINC000252693212	533057295	/nfs/dbraw/zinc/05/72/95/533057295.db2.gz	IDNLSZMKGIEZBL-OLZOCXBDSA-N	0	3	206.333	1.568	10	30		BDEEHN
C[C@@H](N)C(=O)N1CC[C@@]2(CC[C@@H](CS)C2)C1	ZINC000100248065	384628925	/nfs/dbraw/zinc/62/89/25/384628925.db2.gz	VLJYMRXGXDSNOY-CKYFFXLPSA-N	0	3	242.388	1.282	10	30		BDEEHN
C[C@@H]1CN2CCC[C@@H]2CN1c1ncccc1C#N	ZINC000083550680	384705284	/nfs/dbraw/zinc/70/52/84/384705284.db2.gz	WVDAVORJHCZPSB-DGCLKSJQSA-N	0	3	242.326	1.626	10	30		BDEEHN
C[C@H](NCc1ccc(C#N)o1)[C@H]1CCCO1	ZINC000135481906	384828692	/nfs/dbraw/zinc/82/86/92/384828692.db2.gz	QONPKIKPSFEDGF-JOYOIKCWSA-N	0	3	220.272	1.808	10	30		BDEEHN
N#CCCCCN1CCC[C@@H](n2cncn2)C1	ZINC000105899223	384886168	/nfs/dbraw/zinc/88/61/68/384886168.db2.gz	JYUBWXZEFHEMGS-GFCCVEGCSA-N	0	3	233.319	1.609	10	30		BDEEHN
C#CCN(C)[C@@H](C)Cc1ccc(N)cc1	ZINC000065734211	385629718	/nfs/dbraw/zinc/62/97/18/385629718.db2.gz	XXFSWRABMGXENS-NSHDSACASA-N	0	3	202.301	1.765	10	30	in-vitro	BDEEHN
CN1CCC(N[C@H]2CCC[C@H]2C#N)CC1	ZINC000054824964	385665640	/nfs/dbraw/zinc/66/56/40/385665640.db2.gz	QWVZBXKWRXAFFB-JQWIXIFHSA-N	0	3	207.321	1.362	10	30		BDEEHN
C#CCNCCN1CCN(C)c2ccccc21	ZINC000104270478	533179869	/nfs/dbraw/zinc/17/98/69/533179869.db2.gz	XLLHIKZFQKCBDB-UHFFFAOYSA-N	0	3	229.327	1.166	10	30		BDEEHN
CCN1CCC[C@H](Nc2cc(C)ncc2C#N)C1	ZINC000399372989	386758346	/nfs/dbraw/zinc/75/83/46/386758346.db2.gz	LDYQIVANGNMVOU-ZDUSSCGKSA-N	0	3	244.342	1.580	10	30		BDEEHN
C=C(C)COCCNCc1cnn(C)c1C	ZINC000160167275	387057510	/nfs/dbraw/zinc/05/75/10/387057510.db2.gz	ZZWIHVAOVOVUQO-UHFFFAOYSA-N	0	3	223.320	1.411	10	30		BDEEHN
C#CCN1CC[C@@H](CNc2ccccn2)C1	ZINC000195515769	388165800	/nfs/dbraw/zinc/16/58/00/388165800.db2.gz	FUBCLJREZIRGFO-LBPRGKRZSA-N	0	3	215.300	1.449	10	30		BDEEHN
C#C[C@H](NCc1cnn(C)c1C)C(C)(C)C	ZINC000309877479	388468009	/nfs/dbraw/zinc/46/80/09/388468009.db2.gz	TWVFFPQEJRQWGS-LBPRGKRZSA-N	0	3	219.332	1.866	10	30		BDEEHN
N#Cc1ccc(N2CCN3CCC[C@H]3C2)c(F)c1	ZINC000246179312	388439500	/nfs/dbraw/zinc/43/95/00/388439500.db2.gz	QAVMZNPHXVXASU-LBPRGKRZSA-N	0	3	245.301	1.982	10	30		BDEEHN
N#Cc1ccnc(N2CCN3CCC[C@H]3C2)c1	ZINC000250251250	388640206	/nfs/dbraw/zinc/64/02/06/388640206.db2.gz	PPJQMLBGJVQRHA-LBPRGKRZSA-N	0	3	228.299	1.238	10	30		BDEEHN
C[C@@H]1NC(=O)CC[C@@H]1NCc1ccc(C#N)s1	ZINC000282466228	388815459	/nfs/dbraw/zinc/81/54/59/388815459.db2.gz	UJEAGQBGCWKNKG-KWQFWETISA-N	0	3	249.339	1.376	10	30		BDEEHN
CO[C@@H]1C[C@@H](CO)N(Cc2cccc(C#N)c2)C1	ZINC000284669369	388830627	/nfs/dbraw/zinc/83/06/27/388830627.db2.gz	WZVDKDCVSQWQPS-UONOGXRCSA-N	0	3	246.310	1.140	10	30		BDEEHN
N#CCCCOc1ccc(N2CCNCC2)cc1	ZINC000035650831	132338910	/nfs/dbraw/zinc/33/89/10/132338910.db2.gz	KCWGFLIZTVZRHS-UHFFFAOYSA-N	0	3	245.326	1.779	10	30		BDEEHN
N#C[C@@H]1CCC[C@H]1NC(=O)C12CCCN1CCC2	ZINC000336450705	134147360	/nfs/dbraw/zinc/14/73/60/134147360.db2.gz	GURNTVDTPSGKJP-NWDGAFQWSA-N	0	3	247.342	1.423	10	30		BDEEHN
C=CCN1CCC(NC(=O)N[C@H]2C[C@@H]2C)CC1	ZINC000171740575	134260574	/nfs/dbraw/zinc/26/05/74/134260574.db2.gz	FLBMVGBOCYWAOH-JQWIXIFHSA-N	0	3	237.347	1.344	10	30		BDEEHN
CC#CCN1C[C@H]2CCCCN2C[C@H]1C	ZINC000252895656	135116122	/nfs/dbraw/zinc/11/61/22/135116122.db2.gz	ZEHCVNWQURHHJP-CHWSQXEVSA-N	0	3	206.333	1.568	10	30		BDEEHN
C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccccc1C	ZINC000042237851	135219563	/nfs/dbraw/zinc/21/95/63/135219563.db2.gz	UJLYIUBTOHYNRP-STQMWFEESA-N	0	3	244.338	1.784	10	30		BDEEHN
CC(C)CNC1(C#N)C[C@H]2CC[C@@H](C1)N2C	ZINC000037939073	167001888	/nfs/dbraw/zinc/00/18/88/167001888.db2.gz	RFGSQOKOXASXAY-FUNVUKJBSA-N	0	3	221.348	1.751	10	30		BDEEHN
CC(C)CN[C@H](C(N)=O)c1cccc(C#N)c1	ZINC000037946148	167014171	/nfs/dbraw/zinc/01/41/71/167014171.db2.gz	DOGQGGJRHGWQDO-LBPRGKRZSA-N	0	3	231.299	1.330	10	30		BDEEHN
C#CCNC[C@@H](C)n1nc(C)c(Cl)c1C	ZINC000053536207	166187001	/nfs/dbraw/zinc/18/70/01/166187001.db2.gz	QUUQXHLPLMNPMV-MRVPVSSYSA-N	0	3	225.723	1.937	10	30		BDEEHN
C#CCN[C@@H](C)c1ccc(OC)c(OC)c1	ZINC000019875655	166190501	/nfs/dbraw/zinc/19/05/01/166190501.db2.gz	XSBCBYDRFKHODU-JTQLQIEISA-N	0	3	219.284	1.988	10	30		BDEEHN
C#Cc1cccc(NC(=O)[C@@H](N)CC)c1	ZINC000036871450	166222346	/nfs/dbraw/zinc/22/23/46/166222346.db2.gz	NJSWRGMGGJRNTR-NSHDSACASA-N	0	3	202.257	1.344	10	30		BDEEHN
C(#Cc1ccccc1)CN[C@@H]1CN2CCC1CC2	ZINC000051814080	166226235	/nfs/dbraw/zinc/22/62/35/166226235.db2.gz	FULQQMWKVAHCBL-MRXNPFEDSA-N	0	3	240.350	1.722	10	30		BDEEHN
C=CCN(CCc1ccco1)C(=O)CNC	ZINC000262783126	166343107	/nfs/dbraw/zinc/34/31/07/166343107.db2.gz	PLFABJBLMWYHSO-UHFFFAOYSA-N	0	3	222.288	1.056	10	30		BDEEHN
C=CCN1c2ccc(OC)cc2N2CCN=C12	ZINC000005330258	166352831	/nfs/dbraw/zinc/35/28/31/166352831.db2.gz	MTZAXHSZVZBNIY-UHFFFAOYSA-N	0	3	229.283	1.877	10	30		BDEEHN
C=CCNC(=O)C(C#N)Cc1ccccc1	ZINC000044812593	166387525	/nfs/dbraw/zinc/38/75/25/166387525.db2.gz	KNMLOFLSPRWNRY-LBPRGKRZSA-N	0	3	214.268	1.671	10	30		BDEEHN
CC(C)NCC(=O)Nc1cccc(F)c1C#N	ZINC000037609831	167097681	/nfs/dbraw/zinc/09/76/81/167097681.db2.gz	OTOCRXYPUHBJEM-UHFFFAOYSA-N	0	3	235.262	1.634	10	30		BDEEHN
CCNC(=O)Nc1cc(C#CCN)ccc1OC	ZINC000049587468	170084622	/nfs/dbraw/zinc/08/46/22/170084622.db2.gz	UUGYPZDEHNEPJP-UHFFFAOYSA-N	0	3	247.298	1.147	10	30		BDEEHN
CCN[C@H](C#N)CCN(C)CCc1ccncc1	ZINC000062435442	170156150	/nfs/dbraw/zinc/15/61/50/170156150.db2.gz	UBDAPVQGMLZXFF-AWEZNQCLSA-N	0	3	246.358	1.448	10	30		BDEEHN
CCOC(=O)Nc1ccc(C#CCN)c(C)c1	ZINC000037552806	170243795	/nfs/dbraw/zinc/24/37/95/170243795.db2.gz	WJZJDVWTNMZSDY-UHFFFAOYSA-N	0	3	232.283	1.874	10	30		BDEEHN
C=CCN(C(=O)[C@@H](N)CCC)[C@H](C)COC	ZINC000662855968	412325102	/nfs/dbraw/zinc/32/51/02/412325102.db2.gz	XKXYDEDXKGCSMI-MNOVXSKESA-N	0	3	228.336	1.163	10	30		BDEEHN
CN1CCC[C@H](Nc2ccnc(C#N)c2)C1	ZINC000061811896	173046650	/nfs/dbraw/zinc/04/66/50/173046650.db2.gz	WQTDTMRUBUNZEK-NSHDSACASA-N	0	3	216.288	1.459	10	30		BDEEHN
CN1CC[C@H](Nc2ccc(F)c(C#N)c2)C1	ZINC000061989868	173154930	/nfs/dbraw/zinc/15/49/30/173154930.db2.gz	MHEUZAGPHOEYNM-NSHDSACASA-N	0	3	219.263	1.813	10	30		BDEEHN
CN1CC[C@H](Nc2cccc(F)c2C#N)C1	ZINC000060941526	173155745	/nfs/dbraw/zinc/15/57/45/173155745.db2.gz	OFQCQKPFAOLLHJ-VIFPVBQESA-N	0	3	219.263	1.813	10	30		BDEEHN
COCCCOCc1ccc(C#CCN)cc1	ZINC000049610297	174255642	/nfs/dbraw/zinc/25/56/42/174255642.db2.gz	JDJFZZCBQDYIAG-UHFFFAOYSA-N	0	3	233.311	1.550	10	30		BDEEHN
COc1cc([C@H](C#N)NCCN(C)C)ccc1O	ZINC000037940778	175015426	/nfs/dbraw/zinc/01/54/26/175015426.db2.gz	OYVDPOYNTIVTQT-NSHDSACASA-N	0	3	249.314	1.117	10	30		BDEEHN
COc1ccc(C2(C#N)CCNCC2)cc1OC	ZINC000071560667	175083148	/nfs/dbraw/zinc/08/31/48/175083148.db2.gz	FQMZONUZLHFOOF-UHFFFAOYSA-N	0	3	246.310	1.849	10	30		BDEEHN
COc1cccc([C@@H](CN)N(CC#N)CC#N)c1	ZINC000043026003	175287748	/nfs/dbraw/zinc/28/77/48/175287748.db2.gz	FDDJFBUWMNZWSN-CYBMUJFWSA-N	0	3	244.298	1.044	10	30		BDEEHN
C[C@@H]1CCC[C@](C#N)(NCCN(C)C)C1	ZINC000037940694	176151580	/nfs/dbraw/zinc/15/15/80/176151580.db2.gz	PJNXOUVSMWZYSL-NEPJUHHUSA-N	0	3	209.337	1.610	10	30		BDEEHN
C[C@@H]1CNC[C@H](c2ccc(C#N)cc2)O1	ZINC000036986378	176329096	/nfs/dbraw/zinc/32/90/96/176329096.db2.gz	OSUKNIZYVKSGHG-BXKDBHETSA-N	0	3	202.257	1.608	10	30		BDEEHN
C[C@H]1CC[C@H](C(N)=O)CN1[C@@H]1CCC[C@@H]1C#N	ZINC000042428744	177198339	/nfs/dbraw/zinc/19/83/39/177198339.db2.gz	DTQYZLFDMSLLAP-WHOHXGKFSA-N	0	3	235.331	1.264	10	30		BDEEHN
C[C@@H]1C[C@H](C)CN(CC[C@@H](C#N)NC2CC2)C1	ZINC000062368441	177313928	/nfs/dbraw/zinc/31/39/28/177313928.db2.gz	KAVPYULEMVIWSP-SCRDCRAPSA-N	0	3	235.375	1.999	10	30		BDEEHN
C[C@H]1C[C@@H](N(C)c2nccc(C#N)n2)CCN1C	ZINC000297133082	177327872	/nfs/dbraw/zinc/32/78/72/177327872.db2.gz	NCOOXKJQOQEDEH-JQWIXIFHSA-N	0	3	245.330	1.267	10	30		BDEEHN
C[C@H]1C[C@H]1C(=O)NCc1ccc(C#CCN)cc1	ZINC000049586297	177377157	/nfs/dbraw/zinc/37/71/57/177377157.db2.gz	KVLIWSNHMPIVSL-SMDDNHRTSA-N	0	3	242.322	1.269	10	30		BDEEHN
C[C@H]1C[C@H]1C(=O)Nc1ccccc1C#CCN	ZINC000037550879	177377304	/nfs/dbraw/zinc/37/73/04/177377304.db2.gz	ITCNXHBDCKLUIR-CMPLNLGQSA-N	0	3	228.295	1.591	10	30		BDEEHN
C[C@H]1C[C@H]1NC(=O)c1ccc(C#CCN)cc1	ZINC000052299569	177385080	/nfs/dbraw/zinc/38/50/80/177385080.db2.gz	OYLAPQMWVFRQPV-GXFFZTMASA-N	0	3	228.295	1.135	10	30		BDEEHN
C[C@H]1C[C@H]1NCc1cnc2ccc(C#N)cn12	ZINC000123626633	177386433	/nfs/dbraw/zinc/38/64/33/177386433.db2.gz	ATPWIELURRZVOL-JOYOIKCWSA-N	0	3	226.283	1.704	10	30		BDEEHN
CCN1CC[C@H](Nc2cc(C)ncc2C#N)C1	ZINC000399475724	262784605	/nfs/dbraw/zinc/78/46/05/262784605.db2.gz	XFMARACUFAVMNF-LBPRGKRZSA-N	0	3	230.315	1.190	10	30		BDEEHN
CC[C@](C)(C#N)C(=O)N1C[C@@H]2CCCN2C[C@H]1C	ZINC000252502356	536183515	/nfs/dbraw/zinc/18/35/15/536183515.db2.gz	HLPNFMPGLBUWLR-MBNYWOFBSA-N	0	3	249.358	1.621	10	30		BDEEHN
N#C[C@H]1CCC[C@@H]1NCCC1OCCO1	ZINC000308884244	631716715	/nfs/dbraw/zinc/71/67/15/631716715.db2.gz	RSVZKSZWMKOMLD-ZJUUUORDSA-N	0	3	210.277	1.031	10	30		BDEEHN
C#CCCCCNC(=O)[C@@H](CCC)N(C)C	ZINC000154225665	643997029	/nfs/dbraw/zinc/99/70/29/643997029.db2.gz	WGVCPTLBONZEJE-GFCCVEGCSA-N	0	3	224.348	1.636	10	30		BDEEHN
CC(C)(C)OC(=O)C#C[C@H](N)CC(F)F	ZINC000685952802	538896625	/nfs/dbraw/zinc/89/66/25/538896625.db2.gz	DCJKOPHWYMLXAZ-ZETCQYMHSA-N	0	3	219.231	1.314	10	30		BDEEHN
CC(C)(C)[C@H](O)CN[C@H]1CCC[C@H]1C#N	ZINC000308999120	136217109	/nfs/dbraw/zinc/21/71/09/136217109.db2.gz	NLNOGLHYJHLOJK-GARJFASQSA-N	0	3	210.321	1.675	10	30		BDEEHN
Cc1c([C@@H](C)N)nnn1-c1cc(C#N)ccc1C	ZINC000050436681	178366563	/nfs/dbraw/zinc/36/65/63/178366563.db2.gz	BSCPWMBTYWQQGZ-SECBINFHSA-N	0	3	241.298	1.776	10	30		BDEEHN
C=C(C)C[C@@H](N)[C@@H]1CCCCS1(=O)=O	ZINC000130860494	398285391	/nfs/dbraw/zinc/28/53/91/398285391.db2.gz	ZPVOGKMEOBHTMS-ZJUUUORDSA-N	0	3	217.334	1.247	10	30		BDEEHN
CCOCCN1[C@@H](C)CC(C=O)C[C@@H]1C	ZINC000584883642	343086724	/nfs/dbraw/zinc/08/67/24/343086724.db2.gz	XVGZFUDRTPXSPD-QWRGUYRKSA-N	0	3	213.321	1.711	10	30		BDEEHN
C=CCN(C)C[C@@H]1NCCc2ccccc21	ZINC000126714820	343171233	/nfs/dbraw/zinc/17/12/33/343171233.db2.gz	NJDDKXXYVUBBOT-AWEZNQCLSA-N	0	3	216.328	1.991	10	30		BDEEHN
COC(=O)[C@@H]1CCN(CCCC#N)C[C@H]1C	ZINC000249150201	136281013	/nfs/dbraw/zinc/28/10/13/136281013.db2.gz	XNNQRSXEXIWGIG-GHMZBOCLSA-N	0	3	224.304	1.421	10	30		BDEEHN
C=CCN1CCC[C@H](Cn2nc(C)nc2C)C1	ZINC000105885312	136363431	/nfs/dbraw/zinc/36/34/31/136363431.db2.gz	CZACIBMKRCNUKC-ZDUSSCGKSA-N	0	3	234.347	1.793	10	30		BDEEHN
C#CCn1nc(-c2cccs2)cc1CN	ZINC000409443624	343862236	/nfs/dbraw/zinc/86/22/36/343862236.db2.gz	QOOMHRCABMYPBO-UHFFFAOYSA-N	0	3	217.297	1.704	10	30		BDEEHN
C#CCn1nc(-c2ccccn2)cc1CN	ZINC000409443657	343862292	/nfs/dbraw/zinc/86/22/92/343862292.db2.gz	QVTZFVJJVDVBOO-UHFFFAOYSA-N	0	3	212.256	1.037	10	30		BDEEHN
C=CC[C@@H](N)C(=O)Nc1nc(C)cs1	ZINC000128119626	344948362	/nfs/dbraw/zinc/94/83/62/344948362.db2.gz	MHQFPRQPTQTIFX-SSDOTTSWSA-N	0	3	211.290	1.293	10	30		BDEEHN
NCC#Cc1cnc(C(F)(F)F)s1	ZINC000236230899	346213396	/nfs/dbraw/zinc/21/33/96/346213396.db2.gz	CLYSPBHBDNBNJP-UHFFFAOYSA-N	0	3	206.192	1.472	10	30		BDEEHN
C=CCCO[C@H](C)C(=O)N1CC[C@@H](N(C)C)C1	ZINC000170854936	346462810	/nfs/dbraw/zinc/46/28/10/346462810.db2.gz	CXKULUWQXOOPMI-VXGBXAGGSA-N	0	3	240.347	1.130	10	30		BDEEHN
c1ccc([C@@H]2CCN(C[C@H]3CO3)C2)cc1	ZINC000250796339	362822143	/nfs/dbraw/zinc/82/21/43/362822143.db2.gz	BIHCBMOLOMBQJU-OLZOCXBDSA-N	0	3	203.285	1.875	10	30		BDEEHN
CCCN1CCc2nc(N)c(C#N)cc2C1	ZINC000725246605	538009495	/nfs/dbraw/zinc/00/94/95/538009495.db2.gz	ZBCUOTLDQGFTSG-UHFFFAOYSA-N	0	3	216.288	1.304	10	30		BDEEHN
CC#CCN1CCC[C@@H](Cn2cncn2)C1	ZINC000119557571	348719029	/nfs/dbraw/zinc/71/90/29/348719029.db2.gz	BZRRWYXAJFORPP-GFCCVEGCSA-N	0	3	218.304	1.013	10	30		BDEEHN
C[C@H](N[C@@H]1CCOC[C@@H]1O)c1cccc(C#N)c1	ZINC000599081516	349096101	/nfs/dbraw/zinc/09/61/01/349096101.db2.gz	NZWBXPLLILLBKP-GDLCADMTSA-N	0	3	246.310	1.359	10	30		BDEEHN
C[C@H](N[C@H]1CCOC[C@H]1O)c1cccc(C#N)c1	ZINC000599081517	349096199	/nfs/dbraw/zinc/09/61/99/349096199.db2.gz	NZWBXPLLILLBKP-LEWSCRJBSA-N	0	3	246.310	1.359	10	30		BDEEHN
N#Cc1ccc(OC(F)(F)F)cc1CN	ZINC000616576435	349101585	/nfs/dbraw/zinc/10/15/85/349101585.db2.gz	TXCQVQFLADUKDE-UHFFFAOYSA-N	0	3	216.162	1.916	10	30		BDEEHN
N#C[C@H](c1ccc(F)cc1)N1CC(N)C1	ZINC000409441024	350137020	/nfs/dbraw/zinc/13/70/20/350137020.db2.gz	NNRRNGTZPXJTNJ-LLVKDONJSA-N	0	3	205.236	1.033	10	30		BDEEHN
CC[C@@](C)(N)C#Cc1cnc(OC)s1	ZINC000306682279	350837911	/nfs/dbraw/zinc/83/79/11/350837911.db2.gz	QTHNSSCKMDGFMK-SNVBAGLBSA-N	0	3	210.302	1.631	10	30		BDEEHN
COc1nc(C#C[C@H](N)C(C)C)cs1	ZINC000306791542	351040519	/nfs/dbraw/zinc/04/05/19/351040519.db2.gz	YBVOTUGNOSQALP-VIFPVBQESA-N	0	3	210.302	1.487	10	30		BDEEHN
CCCCCCC[C@@H](NCCN(C)C)C(N)=O	ZINC000105332805	168656072	/nfs/dbraw/zinc/65/60/72/168656072.db2.gz	WTWDNPNFBCNKCU-GFCCVEGCSA-N	0	3	243.395	1.352	10	30		BDEEHN
C[C@H](CCC#N)N1CCN2CCCC[C@H]2C1	ZINC000411397810	191180809	/nfs/dbraw/zinc/18/08/09/191180809.db2.gz	ZWUIYYZJDVSOQX-OLZOCXBDSA-N	0	3	221.348	1.849	10	30		BDEEHN
C=CCNC[C@@H](O)COc1ccccc1Cl	ZINC000032100003	187720687	/nfs/dbraw/zinc/72/06/87/187720687.db2.gz	VTAYJNCSWVCVIG-SNVBAGLBSA-N	0	3	241.718	1.855	10	30		BDEEHN
N#C[C@@H]1CCCC[C@H]1NCCCCCO	ZINC000229125616	352591349	/nfs/dbraw/zinc/59/13/49/352591349.db2.gz	FCJCTBAZOLXIEO-NWDGAFQWSA-N	0	3	210.321	1.821	10	30		BDEEHN
O=CCC[C@]1(O)CCN(Cc2ccccc2)C1	ZINC000307702885	353021665	/nfs/dbraw/zinc/02/16/65/353021665.db2.gz	UWFZAUQWMGNDHY-AWEZNQCLSA-N	0	3	233.311	1.603	10	30		BDEEHN
N#CC1(Nc2ccc(F)cc2)CCNCC1	ZINC000040695137	181030674	/nfs/dbraw/zinc/03/06/74/181030674.db2.gz	DQROBDYXGWYFRB-UHFFFAOYSA-N	0	3	219.263	1.883	10	30		BDEEHN
N#CC(Cc1ccccc1)C(=O)N1CCCC1	ZINC000044808612	181064118	/nfs/dbraw/zinc/06/41/18/181064118.db2.gz	AUNVUFXDDVFABQ-ZDUSSCGKSA-N	0	3	228.295	1.991	10	30		BDEEHN
N#C[C@@H]1CCC[C@@H]1NC1(CO)CCCC1	ZINC000054829832	181059918	/nfs/dbraw/zinc/05/99/18/181059918.db2.gz	BRDZCTZQOGVPHG-QWRGUYRKSA-N	0	3	208.305	1.573	10	30		BDEEHN
N#C[C@H]1CCCC[C@H]1NCCN1CCCC1	ZINC000054830130	181069315	/nfs/dbraw/zinc/06/93/15/181069315.db2.gz	CYBQMYKIAADNHJ-CHWSQXEVSA-N	0	3	221.348	1.754	10	30		BDEEHN
N#C[C@H]1CCC[C@H]1NC1(CO)CCCC1	ZINC000054829823	181069754	/nfs/dbraw/zinc/06/97/54/181069754.db2.gz	BRDZCTZQOGVPHG-GHMZBOCLSA-N	0	3	208.305	1.573	10	30		BDEEHN
N#C[C@H]1CCC[C@H]1NCCN1CCCC1	ZINC000054830109	181070003	/nfs/dbraw/zinc/07/00/03/181070003.db2.gz	KQLANDPECXKDKU-VXGBXAGGSA-N	0	3	207.321	1.364	10	30		BDEEHN
N#C[C@H]1CCC[C@H]1NCCCCn1ccnc1	ZINC000054828278	181070114	/nfs/dbraw/zinc/07/01/14/181070114.db2.gz	AAHAFJFZOZQVNT-CHWSQXEVSA-N	0	3	232.331	1.945	10	30		BDEEHN
N#Cc1ccc(CNC(=O)[C@H]2CCCCN2)cc1	ZINC000037748526	181107182	/nfs/dbraw/zinc/10/71/82/181107182.db2.gz	SIXRUYVQASMDGE-CYBMUJFWSA-N	0	3	243.310	1.317	10	30		BDEEHN
N#Cc1ccc2c(c1)[C@H](N)[C@@H](O)CCC2	ZINC000039941540	181132742	/nfs/dbraw/zinc/13/27/42/181132742.db2.gz	BDNILGXQAQWVGW-RYUDHWBXSA-N	0	3	202.257	1.255	10	30		BDEEHN
C[C@@H]1OCC[C@@H]1NCc1cc(C#N)cs1	ZINC000134242209	355068003	/nfs/dbraw/zinc/06/80/03/355068003.db2.gz	GBZSLFHWTLGGQI-KWQFWETISA-N	0	3	222.313	1.887	10	30		BDEEHN
[NH2+]=C(C[S-])N[C@@H]1CCc2ccccc21	ZINC000147266842	181183994	/nfs/dbraw/zinc/18/39/94/181183994.db2.gz	KBPBUOZOBDKBHF-SNVBAGLBSA-N	0	3	206.314	1.961	10	30		BDEEHN
N/C(CCN(CCc1ccccc1)C1CC1)=N/O	ZINC000042531521	181182644	/nfs/dbraw/zinc/18/26/44/181182644.db2.gz	IPTJQKRFFKIGML-UHFFFAOYSA-N	0	3	247.342	1.830	10	30		BDEEHN
N/C(CCCN1CCc2sccc2C1)=N\O	ZINC000019474695	181182677	/nfs/dbraw/zinc/18/26/77/181182677.db2.gz	XVUZZNLWJPMITI-UHFFFAOYSA-N	0	3	239.344	1.633	10	30		BDEEHN
C[C@H]1CC[C@H](O)CN1CC1(CC#N)CC1	ZINC000399315328	355929987	/nfs/dbraw/zinc/92/99/87/355929987.db2.gz	FNEDTKDSFCJGOL-QWRGUYRKSA-N	0	3	208.305	1.525	10	30		BDEEHN
CCN1CCC[C@@H]1CN(C)c1cccnc1C#N	ZINC000130067794	357170736	/nfs/dbraw/zinc/17/07/36/357170736.db2.gz	PAWRXGMNVNHJBJ-GFCCVEGCSA-N	0	3	244.342	1.874	10	30		BDEEHN
COCC#CCNCCOc1ccccc1OC	ZINC000584624534	358292446	/nfs/dbraw/zinc/29/24/46/358292446.db2.gz	RUWZCJXAZCNFLZ-UHFFFAOYSA-N	0	3	249.310	1.313	10	30		BDEEHN
C#C[C@@]1(OC)CCN(Cc2ccccc2)C1	ZINC000584648329	358302787	/nfs/dbraw/zinc/30/27/87/358302787.db2.gz	FSHKUVZJVKYAEP-CQSZACIVSA-N	0	3	215.296	1.911	10	30		BDEEHN
CC(C)[NH2+]CC/N=C/c1cc(F)ccc1[O-]	ZINC000584635898	358319985	/nfs/dbraw/zinc/31/99/85/358319985.db2.gz	NNKCZDGGKIEDPF-RIYZIHGNSA-N	0	3	224.279	1.948	10	30		BDEEHN
N#C[C@@H]1CCN(CCc2ccccc2)C[C@@H]1O	ZINC000584636425	358321104	/nfs/dbraw/zinc/32/11/04/358321104.db2.gz	DMDSRHXRNOWSTL-KBPBESRZSA-N	0	3	230.311	1.435	10	30		BDEEHN
C=C(Cl)CN1CCO[C@H](CN(C)C)C1	ZINC000105926466	358438499	/nfs/dbraw/zinc/43/84/99/358438499.db2.gz	SULNXNYEDXMNDQ-SNVBAGLBSA-N	0	3	218.728	1.001	10	30		BDEEHN
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