smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C#N)c(NC[C@H]2CCCN2C)nc1C	ZINC000826767265	994513523	/nfs/dbraw/zinc/51/35/23/994513523.db2.gz	BFEVFLIEYVFXTM-CYBMUJFWSA-N	0	3	244.342	2.076	50	30		BEEAHN
C=CC(=O)N1C=Cc2ccccc2C1C#N	ZINC000000333811	342683617	/nfs/dbraw/zinc/68/36/17/342683617.db2.gz	HREUAMPZNCCZOM-GFCCVEGCSA-N	0	3	210.236	2.250	50	30		BEEAHN
COC(=O)C(C#N)Cc1ccccc1Cl	ZINC000000056766	342671871	/nfs/dbraw/zinc/67/18/71/342671871.db2.gz	UINYMUPWCAHBKX-SECBINFHSA-N	0	3	223.659	2.195	50	30		BEEAHN
CN(C)[C@]1(C)C[C@@H]2[C@H](C/C1=N\O)C2(C)C	ZINC000004754447	343273460	/nfs/dbraw/zinc/27/34/60/343273460.db2.gz	HKAOKTVQPVELEF-YCXVGSBOSA-N	0	3	210.321	2.203	50	30		BEEAHN
CCN(CC)CC#CCOc1ccccc1	ZINC000004819189	343273511	/nfs/dbraw/zinc/27/35/11/343273511.db2.gz	QGCBSSRDOSERRU-UHFFFAOYSA-N	0	3	217.312	2.411	50	30		BEEAHN
C#CCN(C)CCCc1nc2ccccc2o1	ZINC000192230495	187361440	/nfs/dbraw/zinc/36/14/40/187361440.db2.gz	VTORJKAZTAMONR-UHFFFAOYSA-N	0	3	228.295	2.325	50	30		BEEAHN
C=C(C)[C@@](C)(C#CCN(CC)CC)OC(C)=O	ZINC000004535443	187363662	/nfs/dbraw/zinc/36/36/62/187363662.db2.gz	ZVUXJZWAZWQKCN-CQSZACIVSA-N	0	3	237.343	2.230	50	30		BEEAHN
Cc1nn(C)c(C)c1[C@H]1CCCN1CCCC#N	ZINC000072253560	180348534	/nfs/dbraw/zinc/34/85/34/180348534.db2.gz	JHHHYCXKMYNEDE-CYBMUJFWSA-N	0	3	246.358	2.478	50	30		BEEAHN
C=C(C)CN(CC)Cc1ccc(C(N)=O)cc1	ZINC000053778629	187706946	/nfs/dbraw/zinc/70/69/46/187706946.db2.gz	FXYICMKTZWRYQR-UHFFFAOYSA-N	0	3	232.327	2.184	50	30		BEEAHN
C=CCN1CCC[C@H]1Cn1nc(C)cc1C	ZINC000069919351	166356924	/nfs/dbraw/zinc/35/69/24/166356924.db2.gz	QSWPROJCRGMVOJ-ZDUSSCGKSA-N	0	3	219.332	2.150	50	30		BEEAHN
C=C(C)CN(C)[C@@H](CO)c1ccc(OC)cc1	ZINC000071904385	188047359	/nfs/dbraw/zinc/04/73/59/188047359.db2.gz	SDARROYBZGPWSU-AWEZNQCLSA-N	0	3	235.327	2.237	50	30		BEEAHN
N#CC1CCN(Cc2ccccc2)CC1	ZINC000004769807	181032933	/nfs/dbraw/zinc/03/29/33/181032933.db2.gz	CKJUFUGVCGDYHH-UHFFFAOYSA-N	0	3	200.285	2.422	50	30		BEEAHN
N#CCCCN1CCCC[C@@H]1Cn1cccn1	ZINC000069952080	181036116	/nfs/dbraw/zinc/03/61/16/181036116.db2.gz	YUYBKQCXKFQKMD-CYBMUJFWSA-N	0	3	232.331	2.041	50	30		BEEAHN
N=C(N)N=NC1CCC(c2ccccc2)CC1	ZINC000007026811	181191413	/nfs/dbraw/zinc/19/14/13/181191413.db2.gz	ZTLVSWUQYPDLCJ-UHFFFAOYSA-N	0	3	230.315	2.183	50	30		BEEAHN
CCC[C@H](C#CCN1CCCCC1)OC(C)=O	ZINC000000051743	191942733	/nfs/dbraw/zinc/94/27/33/191942733.db2.gz	NUFWBIMQOSXYKM-CQSZACIVSA-N	0	3	237.343	2.208	50	30		BEEAHN
O=C[C@@H]1CCCN(Cc2ccccc2)CC1	ZINC000038478290	384082835	/nfs/dbraw/zinc/08/28/35/384082835.db2.gz	ZXLSORCCVKGQBQ-CQSZACIVSA-N	0	3	217.312	2.488	50	30		BEEAHN
C=C(C)CN1CCC(c2cn[nH]c2)CC1	ZINC000097200443	384703638	/nfs/dbraw/zinc/70/36/38/384703638.db2.gz	WHFFADPYPQZHTJ-UHFFFAOYSA-N	0	3	205.305	2.165	50	30		BEEAHN
CCN(CC)CC#C[C@](C)(O)C(C)(C)C	ZINC000002485721	385282896	/nfs/dbraw/zinc/28/28/96/385282896.db2.gz	RKWMQSLXMOLXSP-ZDUSSCGKSA-N	0	3	211.349	2.129	50	30		BEEAHN
CN(CCc1ccncc1)Cc1ccc(C#N)o1	ZINC000183759920	385892529	/nfs/dbraw/zinc/89/25/29/385892529.db2.gz	ZMDOEFPTLMGTRH-UHFFFAOYSA-N	0	3	241.294	2.221	50	30		BEEAHN
C=C(C)[C@](C)(C#CCN1CCCCC1)OC(C)=O	ZINC000000034304	386596732	/nfs/dbraw/zinc/59/67/32/386596732.db2.gz	MVJFRLUIXNRCEF-HNNXBMFYSA-N	0	3	249.354	2.374	50	30		BEEAHN
CC#CC[C@@H](CO)NCc1ccc(Cl)s1	ZINC000585116595	386672830	/nfs/dbraw/zinc/67/28/30/386672830.db2.gz	BYFMWDMOLDYOPI-VIFPVBQESA-N	0	3	243.759	2.265	50	30		BEEAHN
CC(=O)Nc1cccc(C#CCN2CCCC2)c1	ZINC000003884537	386781701	/nfs/dbraw/zinc/78/17/01/386781701.db2.gz	RVFVIQWXQZSEEG-UHFFFAOYSA-N	0	3	242.322	2.092	50	30		BEEAHN
Cc1cccc(NC(=O)C(C#N)C(=O)C2CC2)c1	ZINC000103503991	410900480	/nfs/dbraw/zinc/90/04/80/410900480.db2.gz	JNGCNWDQJNEXAY-GFCCVEGCSA-N	0	3	242.278	2.052	50	30		BEEAHN
CC1CCC(N2CCN(CCCC#N)CC2)CC1	ZINC000096406633	168160217	/nfs/dbraw/zinc/16/02/17/168160217.db2.gz	SSCTUBSHZOCBOP-UHFFFAOYSA-N	0	3	249.402	2.486	50	30		BEEAHN
CO[C@@H](C)CN[C@@H](C)c1ccc(C#N)cc1	ZINC000164073909	487508388	/nfs/dbraw/zinc/50/83/88/487508388.db2.gz	FTWXTJGGQNSKAI-QWRGUYRKSA-N	0	3	218.300	2.244	50	30		BEEAHN
CCC#CCN(C)CCCc1c(C)n[nH]c1C	ZINC000670462982	487516146	/nfs/dbraw/zinc/51/61/46/487516146.db2.gz	FHSCEYWPVOBPCZ-UHFFFAOYSA-N	0	3	233.359	2.304	50	30		BEEAHN
CN(C)/C=C/C=C/C(=O)/C=C/C(F)=C/N(C)C	ZINC000055484569	640474660	/nfs/dbraw/zinc/47/46/60/640474660.db2.gz	PDQHSVMURQVZPM-QAHSUFIWSA-N	0	3	238.306	2.116	50	30		BEEAHN
C=CC(=O)N1C=Cc2ccccc2C1C#N	ZINC000000333813	342683549	/nfs/dbraw/zinc/68/35/49/342683549.db2.gz	HREUAMPZNCCZOM-LBPRGKRZSA-N	0	3	210.236	2.250	50	30		BEEAHN
CCN(Cc1ccc(C#N)cc1)[C@H](C)COC	ZINC000042252119	361977977	/nfs/dbraw/zinc/97/79/77/361977977.db2.gz	HFNPPJLQDUNYKP-GFCCVEGCSA-N	0	3	232.327	2.415	50	30		BEEAHN
C=C(C)[C@](C)(C#CCN(CC)CC)OC(C)=O	ZINC000004535442	187363937	/nfs/dbraw/zinc/36/39/37/187363937.db2.gz	ZVUXJZWAZWQKCN-AWEZNQCLSA-N	0	3	237.343	2.230	50	30		BEEAHN
N#CCCCN1CCCC[C@H]1Cn1cccn1	ZINC000069952079	181035721	/nfs/dbraw/zinc/03/57/21/181035721.db2.gz	YUYBKQCXKFQKMD-ZDUSSCGKSA-N	0	3	232.331	2.041	50	30		BEEAHN
N#CC[C@H]1CCN(Cc2ccccc2)C1	ZINC000039214377	181046316	/nfs/dbraw/zinc/04/63/16/181046316.db2.gz	HYBXAXKMVJEWHM-ZDUSSCGKSA-N	0	3	200.285	2.422	50	30		BEEAHN
C=CCNCCOc1ccc(OCC)cc1	ZINC000003461833	166399047	/nfs/dbraw/zinc/39/90/47/166399047.db2.gz	MTFPABADWWPYSR-UHFFFAOYSA-N	0	3	221.300	2.240	50	30		BEEAHN
C#C[C@H](N[C@@H](C)[C@@H]1CCOC1)c1ccccc1	ZINC000383303528	367612431	/nfs/dbraw/zinc/61/24/31/367612431.db2.gz	MIWVTMBDOGMGSV-CFVMTHIKSA-N	0	3	229.323	2.376	50	30		BEEAHN
C#CCn1cc(CN(C)C[C@H]2CC=CCC2)cn1	ZINC000092039191	384145951	/nfs/dbraw/zinc/14/59/51/384145951.db2.gz	NVUZTHFDIWFRQU-AWEZNQCLSA-N	0	3	243.354	2.304	50	30		BEEAHN
C=C(C)CNC1(C(=O)NCCC)CCCCC1	ZINC000084756418	384765689	/nfs/dbraw/zinc/76/56/89/384765689.db2.gz	OANYLFOBBYLSOD-UHFFFAOYSA-N	0	3	238.375	2.381	50	30		BEEAHN
CN(C)CC#CCCCCCCC#CCN(C)C	ZINC000002280415	384930062	/nfs/dbraw/zinc/93/00/62/384930062.db2.gz	ZWFJZRUFKJFTSR-UHFFFAOYSA-N	0	3	248.414	2.457	50	30		BEEAHN
C[C@H](O)C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000065288563	388255514	/nfs/dbraw/zinc/25/55/14/388255514.db2.gz	JODVMTOGBDEGON-LBPRGKRZSA-N	0	3	244.338	2.151	50	30		BEEAHN
COC[C@@H](C)NCc1ccc(C#N)c(Cl)c1	ZINC000381734810	388436306	/nfs/dbraw/zinc/43/63/06/388436306.db2.gz	OCWMIRHEJKDWJR-SECBINFHSA-N	0	3	238.718	2.336	50	30		BEEAHN
C=CCCN[C@H](CO)c1cc(F)c(F)c(F)c1	ZINC000096500910	166267532	/nfs/dbraw/zinc/26/75/32/166267532.db2.gz	QCGDIMBQOZIWCS-LLVKDONJSA-N	0	3	245.244	2.303	50	30		BEEAHN
C=CCC[C@@H](CN1CCCC1)Oc1ncccn1	ZINC000067868021	166295914	/nfs/dbraw/zinc/29/59/14/166295914.db2.gz	PHUDGXKHXJWDMS-ZDUSSCGKSA-N	0	3	247.342	2.286	50	30		BEEAHN
C=CCC[C@H](CN1CCCC1)Oc1ncccn1	ZINC000067868023	166301714	/nfs/dbraw/zinc/30/17/14/166301714.db2.gz	PHUDGXKHXJWDMS-CYBMUJFWSA-N	0	3	247.342	2.286	50	30		BEEAHN
C=CCC[C@](C)(C#CCN1CCCC1)OC(C)=O	ZINC000005383309	166306065	/nfs/dbraw/zinc/30/60/65/166306065.db2.gz	VYBBLKOOGMOBMF-OAHLLOKOSA-N	0	3	249.354	2.374	50	30		BEEAHN
C=CCN(CC=C)c1ccccc1CN	ZINC000042783818	166339157	/nfs/dbraw/zinc/33/91/57/166339157.db2.gz	KJKXOWKNEPOJLN-UHFFFAOYSA-N	0	3	202.301	2.324	50	30		BEEAHN
C=CCN1CCC[C@@H]1c1c(C)nn(C)c1C	ZINC000075132386	166355806	/nfs/dbraw/zinc/35/58/06/166355806.db2.gz	LAFKBBVBFYUMDX-GFCCVEGCSA-N	0	3	219.332	2.360	50	30		BEEAHN
C=CCNCCOc1ccc(C)cc1[N+](=O)[O-]	ZINC000003003686	166398304	/nfs/dbraw/zinc/39/83/04/166398304.db2.gz	CLWAOHDBVRQUDO-UHFFFAOYSA-N	0	3	236.271	2.058	50	30		BEEAHN
C=CCNCC#CCOc1c(C)cccc1C	ZINC000016623772	166399733	/nfs/dbraw/zinc/39/97/33/166399733.db2.gz	RLFLQXXDEZTRFJ-UHFFFAOYSA-N	0	3	229.323	2.461	50	30		BEEAHN
C=CCNCCOc1cc(C)cc(C)c1	ZINC000004568356	166399756	/nfs/dbraw/zinc/39/97/56/166399756.db2.gz	AFYMEFLWQKNNPG-UHFFFAOYSA-N	0	3	205.301	2.458	50	30		BEEAHN
CN(/C=N/c1c(C#N)cnn1C)C1CCCCC1	ZINC000004739886	172292322	/nfs/dbraw/zinc/29/23/22/172292322.db2.gz	IVJUIRPOXBQZNU-XNTDXEJSSA-N	0	3	245.330	2.216	50	30		BEEAHN
COc1ccccc1OCC#CCN1CCCC1	ZINC000002862852	175340950	/nfs/dbraw/zinc/34/09/50/175340950.db2.gz	VGEJYLKQZLDVSY-UHFFFAOYSA-N	0	3	245.322	2.173	50	30		BEEAHN
C[C@@H]1CCC[C@H](C)N1CC#CC(C)(C)O	ZINC000000197981	177116424	/nfs/dbraw/zinc/11/64/24/177116424.db2.gz	RCTTWLVFPRFKCS-TXEJJXNPSA-N	0	3	209.333	2.024	50	30		BEEAHN
Cc1cc(C=NO)c(C)n1-c1ccncc1	ZINC000252428463	524610343	/nfs/dbraw/zinc/61/03/43/524610343.db2.gz	GKDAFYOBVMSVCO-UHFFFAOYSA-N	0	3	215.256	2.297	50	30		BEEAHN
CC(C)C(=O)C(C#N)c1ccccc1[N+](=O)[O-]	ZINC000536954426	398197975	/nfs/dbraw/zinc/19/79/75/398197975.db2.gz	UKTNMUVREWHSPE-SNVBAGLBSA-N	0	3	232.239	2.427	50	30		BEEAHN
C=C(C)CSc1nnc([C@@H]2CCCN2)o1	ZINC000005573947	346257978	/nfs/dbraw/zinc/25/79/78/346257978.db2.gz	VYCMFSDMFLGWRN-QMMMGPOBSA-N	0	3	225.317	2.162	50	30		BEEAHN
C=CCOc1ccc(CN2CCC[C@H]2CO)cc1	ZINC000092455569	188049337	/nfs/dbraw/zinc/04/93/37/188049337.db2.gz	OFXDFFTZMCKBDZ-AWEZNQCLSA-N	0	3	247.338	2.208	50	30		BEEAHN
C=CCNCc1cc2cccc(C)c2[nH]c1=O	ZINC000075274182	356932144	/nfs/dbraw/zinc/93/21/44/356932144.db2.gz	DOCAHJRPKRBNRF-UHFFFAOYSA-N	0	3	228.295	2.112	50	30		BEEAHN
NCC#Cc1cc(Cl)cc(Cl)c1	ZINC000091690354	181346645	/nfs/dbraw/zinc/34/66/45/181346645.db2.gz	QRLFSCCZQLMHJH-UHFFFAOYSA-N	0	3	200.068	2.304	50	30		BEEAHN
O=C[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000038866806	384097790	/nfs/dbraw/zinc/09/77/90/384097790.db2.gz	VXLGEGLTEVHHOC-CYBMUJFWSA-N	0	3	203.285	2.098	50	30		BEEAHN
C=C(C)CN(C)[C@H](CO)c1ccc(OC)cc1	ZINC000071904386	384145941	/nfs/dbraw/zinc/14/59/41/384145941.db2.gz	SDARROYBZGPWSU-CQSZACIVSA-N	0	3	235.327	2.237	50	30		BEEAHN
C=C(C)CN(CCO)Cc1ccccc1	ZINC000049752619	386657063	/nfs/dbraw/zinc/65/70/63/386657063.db2.gz	DAWCHHRBJSAGCY-UHFFFAOYSA-N	0	3	205.301	2.057	50	30		BEEAHN
N#CC(C(=O)C1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000536953366	387166699	/nfs/dbraw/zinc/16/66/99/387166699.db2.gz	LKUCPBWARYUZOW-LLVKDONJSA-N	0	3	230.223	2.181	50	30		BEEAHN
C[C@@H](Cc1ccco1)N1CCC(C#N)CC1	ZINC000575606322	387392776	/nfs/dbraw/zinc/39/27/76/387392776.db2.gz	IDGIXTMFCQSSOV-NSHDSACASA-N	0	3	218.300	2.446	50	30		BEEAHN
C[C@@H](O)[C@@H]1CCCCN1Cc1ccc(C#N)cc1	ZINC000069809618	388427084	/nfs/dbraw/zinc/42/70/84/388427084.db2.gz	GFSWFQKYQRKRQJ-DOMZBBRYSA-N	0	3	244.338	2.294	50	30		BEEAHN
C=C1N2CCC(CC2)[C@]1(O)c1ccc(C)cc1	ZINC000000192643	388805485	/nfs/dbraw/zinc/80/54/85/388805485.db2.gz	LAKWJOKCQGLUKQ-OAHLLOKOSA-N	0	3	229.323	2.422	50	30		BEEAHN
CC1=C[C@H](C)[C@H](/C=N/n2cnnc2)[C@@H](C)C1	ZINC000004166758	168132214	/nfs/dbraw/zinc/13/22/14/168132214.db2.gz	UAUNHPQNZAJKTA-ORGZKNABSA-N	0	3	218.304	2.350	50	30		BEEAHN
N#Cc1cccc(O[C@@]23CCN(C2)CCC3)c1	ZINC000067871379	411504653	/nfs/dbraw/zinc/50/46/53/411504653.db2.gz	BZGQSRKTXUFVIO-AWEZNQCLSA-N	0	3	228.295	2.175	50	30		BEEAHN
C[C@H]1CN(Cc2cccc(C#N)c2)[C@H]1C	ZINC000292940292	177263060	/nfs/dbraw/zinc/26/30/60/177263060.db2.gz	HSBIDQSXWNRDAQ-QWRGUYRKSA-N	0	3	200.285	2.398	50	30		BEEAHN
CC(C)(C#CCN1CCCCC1)OCCC#N	ZINC000002931982	631984169	/nfs/dbraw/zinc/98/41/69/631984169.db2.gz	FEDWZXJVOKDFNG-UHFFFAOYSA-N	0	3	234.343	2.185	50	30		BEEAHN
C[C@]1([N+](=O)Cc2ccccc2[O-])CCCCC1=O	ZINC000002267988	398270924	/nfs/dbraw/zinc/27/09/24/398270924.db2.gz	VHJNNOBJFUIXFD-QTNMRXCUSA-N	0	3	247.294	2.223	50	30		BEEAHN
C=CCOc1ccc(CNC(C)(C)CO)cc1	ZINC000004670800	398294715	/nfs/dbraw/zinc/29/47/15/398294715.db2.gz	IRAAOEWMBSIMPG-UHFFFAOYSA-N	0	3	235.327	2.112	50	30		BEEAHN
CCN(CC)CC#C[C@@](C)(O)C(C)(C)C	ZINC000002485722	343270654	/nfs/dbraw/zinc/27/06/54/343270654.db2.gz	RKWMQSLXMOLXSP-CYBMUJFWSA-N	0	3	211.349	2.129	50	30		BEEAHN
Cc1nc(C#N)c(NC[C@@H](C)N2CCCCC2)o1	ZINC000072238464	187276414	/nfs/dbraw/zinc/27/64/14/187276414.db2.gz	DOFOTGHZURCLRW-SNVBAGLBSA-N	0	3	248.330	2.141	50	30		BEEAHN
Cc1nc(C#N)c(NC[C@H](C)N2CCCCC2)o1	ZINC000072238465	187276751	/nfs/dbraw/zinc/27/67/51/187276751.db2.gz	DOFOTGHZURCLRW-JTQLQIEISA-N	0	3	248.330	2.141	50	30		BEEAHN
N#C[C@H]1CNC[C@H]1c1ccccc1Cl	ZINC000259673128	344682397	/nfs/dbraw/zinc/68/23/97/344682397.db2.gz	JXGRSWBBZMWJMA-WCBMZHEXSA-N	0	3	206.676	2.167	50	30		BEEAHN
C=C(C)CNC[C@@H]1OCCc2ccccc21	ZINC000000168992	187298401	/nfs/dbraw/zinc/29/84/01/187298401.db2.gz	GTSIPQNNVZDQNP-AWEZNQCLSA-N	0	3	217.312	2.466	50	30	biogenic	BEEAHN
CC[C@](C)(C#CCN1CCCCC1)OC(C)=O	ZINC000000194682	345419103	/nfs/dbraw/zinc/41/91/03/345419103.db2.gz	GWVKVVKUKYVACS-CQSZACIVSA-N	0	3	237.343	2.208	50	30		BEEAHN
C=C(C)CN(CC)C[C@H](O)COc1ccccc1	ZINC000002639084	187318540	/nfs/dbraw/zinc/31/85/40/187318540.db2.gz	FSXVYJQGLCOBIR-AWEZNQCLSA-N	0	3	249.354	2.324	50	30		BEEAHN
C=C1N2CCC(CC2)[C@@]1(O)c1ccc(C)cc1	ZINC000000192645	363288871	/nfs/dbraw/zinc/28/88/71/363288871.db2.gz	LAKWJOKCQGLUKQ-HNNXBMFYSA-N	0	3	229.323	2.422	50	30		BEEAHN
N#Cc1cccc(OCCN2CCCC2)c1	ZINC000011886166	181142923	/nfs/dbraw/zinc/14/29/23/181142923.db2.gz	KXJZANZVXSKUAF-UHFFFAOYSA-N	0	3	216.284	2.033	50	30		BEEAHN
CCN(CC)CC#C[C@H](O)c1ccccc1	ZINC000002493675	355922324	/nfs/dbraw/zinc/92/23/24/355922324.db2.gz	IUBSFDOHSKQPQS-AWEZNQCLSA-N	0	3	217.312	2.065	50	30		BEEAHN
CN1CCC(Nc2ccccc2C#N)CC1	ZINC000019921384	371202494	/nfs/dbraw/zinc/20/24/94/371202494.db2.gz	JTZFLOPOWXCFRM-UHFFFAOYSA-N	0	3	215.300	2.064	50	30		BEEAHN
C=C[C@H]1CCCCN1CCc1cnn(CC)c1	ZINC000390834767	371240147	/nfs/dbraw/zinc/24/01/47/371240147.db2.gz	XZLKRIFNBSZCAB-AWEZNQCLSA-N	0	3	233.359	2.486	50	30		BEEAHN
C=C(C)CN(CC)C(=O)CN1CCCCCC1	ZINC000052856772	387808969	/nfs/dbraw/zinc/80/89/69/387808969.db2.gz	BRBIMAXHORARGK-UHFFFAOYSA-N	0	3	238.375	2.287	50	30		BEEAHN
C=C(C)CN1CCCC[C@H]1Cn1cccn1	ZINC000069771463	388426548	/nfs/dbraw/zinc/42/65/48/388426548.db2.gz	TZRMIDRYQYADHW-ZDUSSCGKSA-N	0	3	219.332	2.314	50	30		BEEAHN
C=C(C)CN1CCN(CCC(C)C)CC1	ZINC000095350436	388763585	/nfs/dbraw/zinc/76/35/85/388763585.db2.gz	VHUDWZNXTWAYPY-UHFFFAOYSA-N	0	3	210.365	2.226	50	30		BEEAHN
C#CCN(CC)[C@@H](C)c1cccc(O)c1	ZINC000096455327	166169437	/nfs/dbraw/zinc/16/94/37/166169437.db2.gz	NDXQDJPAFBWKDZ-NSHDSACASA-N	0	3	203.285	2.408	50	30		BEEAHN
CC1=C[C@H](C)[C@@H](/C=N/n2cnnc2)[C@@H](C)C1	ZINC000169313473	168130877	/nfs/dbraw/zinc/13/08/77/168130877.db2.gz	UAUNHPQNZAJKTA-AAYGLKKUSA-N	0	3	218.304	2.350	50	30		BEEAHN
CCOCCCNCC#Cc1ccccc1	ZINC000002178136	170380413	/nfs/dbraw/zinc/38/04/13/170380413.db2.gz	SYBNJKSWWGUOHO-UHFFFAOYSA-N	0	3	217.312	2.054	50	30		BEEAHN
C[C@@H]1CN=C(NCc2ccccc2)S1	ZINC000004785782	176322738	/nfs/dbraw/zinc/32/27/38/176322738.db2.gz	TUSOLQRZIXORLP-SECBINFHSA-N	0	3	206.314	2.268	50	30		BEEAHN
CC(C)(O)C#Cc1ccc(CN2CC=CC2)cc1	ZINC000820608252	1168439043	/nfs/dbraw/zinc/43/90/43/1168439043.db2.gz	HCZDFEGJWVHSKN-UHFFFAOYSA-N	0	3	241.334	2.181	50	30		BEEAHN
CN1CCC(=NOC(=O)Nc2ccccc2)CC1	ZINC000000171161	342679196	/nfs/dbraw/zinc/67/91/96/342679196.db2.gz	WCNNDRFVXRKIES-UHFFFAOYSA-N	0	3	247.298	2.317	50	30		BEEAHN
CN1CCC(C#N)(c2ccccc2)CC1	ZINC000001428347	342700668	/nfs/dbraw/zinc/70/06/68/342700668.db2.gz	ZLFQTZYFXYOGLS-UHFFFAOYSA-N	0	3	200.285	2.174	50	30		BEEAHN
CCN(CC)CC#C[C@@H](C)OC(=O)c1ccoc1	ZINC000089967894	187243560	/nfs/dbraw/zinc/24/35/60/187243560.db2.gz	NOFCCKLMPXIQKX-GFCCVEGCSA-N	0	3	249.310	2.170	50	30		BEEAHN
C=CCOc1ccc(CN2CCC[C@@H]2CO)cc1	ZINC000092470686	187360735	/nfs/dbraw/zinc/36/07/35/187360735.db2.gz	OFXDFFTZMCKBDZ-CQSZACIVSA-N	0	3	247.338	2.208	50	30		BEEAHN
C=CCC[C@@H](O)CN1CC(C)(C)OC(C)(C)C1	ZINC000190557949	345981435	/nfs/dbraw/zinc/98/14/35/345981435.db2.gz	DOXIZNPEIRTFOS-GFCCVEGCSA-N	0	3	241.375	2.203	50	30		BEEAHN
C=CCOc1ccccc1CNC(C)(C)CO	ZINC000004670797	187363735	/nfs/dbraw/zinc/36/37/35/187363735.db2.gz	DFBLZZAXZNEMCP-UHFFFAOYSA-N	0	3	235.327	2.112	50	30		BEEAHN
C=CCOc1ccccc1CN1CCC[C@H]1CO	ZINC000006667478	187363782	/nfs/dbraw/zinc/36/37/82/187363782.db2.gz	WVTSGTRVBKRDJR-AWEZNQCLSA-N	0	3	247.338	2.208	50	30		BEEAHN
C=C1N2CCC(CC2)[C@@]1(O)c1ccccc1	ZINC000000260938	188334062	/nfs/dbraw/zinc/33/40/62/188334062.db2.gz	ZZNFAHFZYUQEAO-AWEZNQCLSA-N	0	3	215.296	2.114	50	30		BEEAHN
N#Cc1ccc(CN)c(C(F)(F)F)c1	ZINC000118478469	181102659	/nfs/dbraw/zinc/10/26/59/181102659.db2.gz	QUZPTSQKVWERRT-UHFFFAOYSA-N	0	3	200.163	2.036	50	30		BEEAHN
CC(=O)C(C#N)c1nnc(-c2ccccc2)s1	ZINC000006787808	360790585	/nfs/dbraw/zinc/79/05/85/360790585.db2.gz	DSGCOUBBKLWQBK-SNVBAGLBSA-N	0	3	243.291	2.401	50	30		BEEAHN
CC[NH+](CC)CCOc1cccc(/C=N/[O-])c1	ZINC000011883777	370774978	/nfs/dbraw/zinc/77/49/78/370774978.db2.gz	WQLONRITZGHQBX-SDNWHVSQSA-N	0	3	236.315	2.215	50	30		BEEAHN
O=C1CCCC(=O)C1[C@H]1NCCc2ccccc21	ZINC000020389226	371277887	/nfs/dbraw/zinc/27/78/87/371277887.db2.gz	ICRXRMSBNBVACL-HNNXBMFYSA-N	0	3	243.306	2.439	50	30		BEEAHN
C#C[C@H](N[C@H](C)[C@@H]1CCOC1)c1ccccc1	ZINC000383304070	374283526	/nfs/dbraw/zinc/28/35/26/374283526.db2.gz	MIWVTMBDOGMGSV-YUELXQCFSA-N	0	3	229.323	2.376	50	30		BEEAHN
C#C[C@H](N[C@H](C)[C@H]1CCOC1)c1ccccc1	ZINC000383304069	374284050	/nfs/dbraw/zinc/28/40/50/374284050.db2.gz	MIWVTMBDOGMGSV-SNPRPXQTSA-N	0	3	229.323	2.376	50	30		BEEAHN
CC(C)(C)C#CCNC[C@H](O)c1ccccc1	ZINC000020654092	385913966	/nfs/dbraw/zinc/91/39/66/385913966.db2.gz	BVZPXAPTCMDWJQ-AWEZNQCLSA-N	0	3	231.339	2.359	50	30		BEEAHN
C=C(Cl)CN(CC(C)(C)O)C(C)C	ZINC000096473873	387465138	/nfs/dbraw/zinc/46/51/38/387465138.db2.gz	CEBSXZFJDBESQV-UHFFFAOYSA-N	0	3	205.729	2.220	50	30		BEEAHN
CCN(CC)CC#C[C@H](C)OC(=O)c1ccoc1	ZINC000089967896	388377960	/nfs/dbraw/zinc/37/79/60/388377960.db2.gz	NOFCCKLMPXIQKX-LBPRGKRZSA-N	0	3	249.310	2.170	50	30		BEEAHN
C=C(Cl)CN1CCC[C@H](N2CCCC2)C1	ZINC000069520478	388418773	/nfs/dbraw/zinc/41/87/73/388418773.db2.gz	XNOLKDYRGVZHRN-LBPRGKRZSA-N	0	3	228.767	2.299	50	30		BEEAHN
Cn1cc([C@@H]2CCCN2CCCCC#N)cn1	ZINC000069808069	388427115	/nfs/dbraw/zinc/42/71/15/388427115.db2.gz	NHSVHRAOJKMOGX-ZDUSSCGKSA-N	0	3	232.331	2.251	50	30		BEEAHN
C=CCN(Cc1cccnc1)C1CCOCC1	ZINC000065382882	166346107	/nfs/dbraw/zinc/34/61/07/166346107.db2.gz	DOVJAJCHKNZRGD-UHFFFAOYSA-N	0	3	232.327	2.249	50	30		BEEAHN
C=CCN1CCC[C@@H]1Cn1nc(C)cc1C	ZINC000069919355	166356113	/nfs/dbraw/zinc/35/61/13/166356113.db2.gz	QSWPROJCRGMVOJ-CYBMUJFWSA-N	0	3	219.332	2.150	50	30		BEEAHN
COc1ccc(NC2=NCCCC2)cc1	ZINC000002597839	175049665	/nfs/dbraw/zinc/04/96/65/175049665.db2.gz	DJEQMZGICCKMNO-UHFFFAOYSA-N	0	3	204.273	2.499	50	30		BEEAHN
C#CCn1cc(CN(C)C[C@@H]2CC=CCC2)cn1	ZINC000092039192	518344709	/nfs/dbraw/zinc/34/47/09/518344709.db2.gz	NVUZTHFDIWFRQU-CQSZACIVSA-N	0	3	243.354	2.304	50	30		BEEAHN
C=CCN[C@H](c1cccnc1)C1CCOCC1	ZINC000239667223	518960857	/nfs/dbraw/zinc/96/08/57/518960857.db2.gz	BPNOFDLXROQJSN-AWEZNQCLSA-N	0	3	232.327	2.325	50	30		BEEAHN
CN(C)/C=C/C=C1\CCC/C(=C\N(C)C)C1=O	ZINC000032650129	641532860	/nfs/dbraw/zinc/53/28/60/641532860.db2.gz	FECYBPXTUOJJSM-HTXFNWOKSA-N	0	3	234.343	2.187	50	30		BEEAHN
CC(=O)O[C@@](C)(C#CCN1CCCC1)C(C)C	ZINC000005384634	970815263	/nfs/dbraw/zinc/81/52/63/970815263.db2.gz	CRDATSKIRMKMGS-AWEZNQCLSA-N	0	3	237.343	2.063	50	30		BEEAHN
CCN(Cc1ccc(C#N)cc1)[C@@H](C)COC	ZINC000042252115	361977862	/nfs/dbraw/zinc/97/78/62/361977862.db2.gz	HFNPPJLQDUNYKP-LBPRGKRZSA-N	0	3	232.327	2.415	50	30		BEEAHN
C#CC[C@@H](C)NCc1cnn(-c2ccccc2)c1	ZINC000078932785	187233507	/nfs/dbraw/zinc/23/35/07/187233507.db2.gz	LKCSLHNKWBBVIR-CYBMUJFWSA-N	0	3	239.322	2.374	50	30		BEEAHN
CCN(CC)CC#C[C@H](C)OC(=O)c1ccco1	ZINC000089967886	187243527	/nfs/dbraw/zinc/24/35/27/187243527.db2.gz	IOBMXATXORJXHO-LBPRGKRZSA-N	0	3	249.310	2.170	50	30		BEEAHN
Cc1ccc(/C(CC[NH+](C)C)=N/[O-])cc1	ZINC000016667593	343271171	/nfs/dbraw/zinc/27/11/71/343271171.db2.gz	AFDZTRVBNDNEQF-OUKQBFOZSA-N	0	3	206.289	2.125	50	30		BEEAHN
CN1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000013613389	343589069	/nfs/dbraw/zinc/58/90/69/343589069.db2.gz	WJSCWKSMRWKRDF-UHFFFAOYSA-N	0	3	216.284	2.031	50	30		BEEAHN
CC(/C=N/n1cnnc1)=C/c1ccccc1	ZINC000000229093	344650646	/nfs/dbraw/zinc/65/06/46/344650646.db2.gz	TUAGATMTKGEPHX-PDAQCIJPSA-N	0	3	212.256	2.216	50	30		BEEAHN
N#C[C@@H]1CNC[C@H]1c1ccccc1Cl	ZINC000259673123	344682228	/nfs/dbraw/zinc/68/22/28/344682228.db2.gz	JXGRSWBBZMWJMA-PSASIEDQSA-N	0	3	206.676	2.167	50	30		BEEAHN
C=CCOc1cccc(CNC(C)(C)CO)c1	ZINC000002648330	191131266	/nfs/dbraw/zinc/13/12/66/191131266.db2.gz	DFLYTWLECLIDBO-UHFFFAOYSA-N	0	3	235.327	2.112	50	30		BEEAHN
C=C(C)CN1CCC[C@H]1c1cnn(C)c1	ZINC000070007023	188047758	/nfs/dbraw/zinc/04/77/58/188047758.db2.gz	OPRABFBTTVJBOT-LBPRGKRZSA-N	0	3	205.305	2.133	50	30		BEEAHN
C#CCN1CCC[C@@]2(CCOC(C)(C)C2)C1	ZINC000064227702	188363029	/nfs/dbraw/zinc/36/30/29/188363029.db2.gz	ORIYYODJNDTELE-AWEZNQCLSA-N	0	3	221.344	2.291	50	30		BEEAHN
CCN(CC)CC#C[C@@H](O)c1ccccc1	ZINC000002493676	355922551	/nfs/dbraw/zinc/92/25/51/355922551.db2.gz	IUBSFDOHSKQPQS-CQSZACIVSA-N	0	3	217.312	2.065	50	30		BEEAHN
CCCCCCCC(=O)OCCN(C)C	ZINC000095740127	371339144	/nfs/dbraw/zinc/33/91/44/371339144.db2.gz	RBLJYVBVMVTWKL-UHFFFAOYSA-N	0	3	215.337	2.452	50	30		BEEAHN
CCN1CCCC[C@@H]1CNc1cc(C#N)ccn1	ZINC000283758173	371511424	/nfs/dbraw/zinc/51/14/24/371511424.db2.gz	MKXUPPFQWXYBLT-CYBMUJFWSA-N	0	3	244.342	2.240	50	30		BEEAHN
CCC[C@@H](C#CCN1CCCCC1)OC(C)=O	ZINC000000051742	386595839	/nfs/dbraw/zinc/59/58/39/386595839.db2.gz	NUFWBIMQOSXYKM-AWEZNQCLSA-N	0	3	237.343	2.208	50	30		BEEAHN
C=CCNCc1ccc(N(C)CCC#N)cc1	ZINC000006650868	387594211	/nfs/dbraw/zinc/59/42/11/387594211.db2.gz	KJTGKHZCYZIZLS-UHFFFAOYSA-N	0	3	229.327	2.312	50	30		BEEAHN
C#CC[C@H](C)NCc1cnn(-c2ccccc2)c1	ZINC000078932777	166204722	/nfs/dbraw/zinc/20/47/22/166204722.db2.gz	LKCSLHNKWBBVIR-ZDUSSCGKSA-N	0	3	239.322	2.374	50	30		BEEAHN
C=CCC[C@@](C)(O)C#CCN(CC)CC	ZINC000002469383	166299308	/nfs/dbraw/zinc/29/93/08/166299308.db2.gz	SZAIQQIEAYFDEU-CYBMUJFWSA-N	0	3	209.333	2.049	50	30		BEEAHN
C=CCN1CCCN(Cc2cccs2)CC1	ZINC000048060091	166355295	/nfs/dbraw/zinc/35/52/95/166355295.db2.gz	HQQSLQRSIYFUCJ-UHFFFAOYSA-N	0	3	236.384	2.442	50	30		BEEAHN
C=CCNCCOc1ccc(C(C)=O)cc1	ZINC000004841573	166399076	/nfs/dbraw/zinc/39/90/76/166399076.db2.gz	NRRPZPYTIADCTL-UHFFFAOYSA-N	0	3	219.284	2.044	50	30		BEEAHN
C=CCNCC#CCOc1ccc(C)cc1	ZINC000016624060	166399363	/nfs/dbraw/zinc/39/93/63/166399363.db2.gz	YYWXXVZPFQZDBO-UHFFFAOYSA-N	0	3	215.296	2.153	50	30		BEEAHN
CN(C)/C=C/C=C1\CC/C(=C\C=C\N(C)C)C1=O	ZINC000013943452	172351306	/nfs/dbraw/zinc/35/13/06/172351306.db2.gz	BZIQULGWFPDBIZ-JRXATRHQSA-N	0	3	246.354	2.353	50	30		BEEAHN
CN1CCc2c(C#N)c(Cl)nc(Cl)c2C1	ZINC000020840628	173167002	/nfs/dbraw/zinc/16/70/02/173167002.db2.gz	LFIDGHPVULHBNN-UHFFFAOYSA-N	0	3	242.109	2.248	50	30		BEEAHN
CC[C@@H]1C=CCN1Cc1cc(C#CCO)cs1	ZINC000952969759	644447113	/nfs/dbraw/zinc/44/71/13/644447113.db2.gz	BOLXFFUCDIDSQK-CYBMUJFWSA-N	0	3	247.363	2.242	50	30		BEEAHN
C=CCC[C@H](O)CN1CCCC[C@@H]1c1cn[nH]c1	ZINC000128950303	136227054	/nfs/dbraw/zinc/22/70/54/136227054.db2.gz	XXZDASLPAMGTDW-UONOGXRCSA-N	0	3	249.358	2.264	50	30		BEEAHN
CN1CCC(N=Nc2ccc([N+](=O)[O-])cc2)CC1	ZINC000006792191	342783372	/nfs/dbraw/zinc/78/33/72/342783372.db2.gz	PPNNVFREPFGSAC-UHFFFAOYSA-N	0	3	248.286	2.088	50	30		BEEAHN
C=CCC[C@H](O)CN1CC(C)(C)OC(C)(C)C1	ZINC000190557964	345981406	/nfs/dbraw/zinc/98/14/06/345981406.db2.gz	DOXIZNPEIRTFOS-LBPRGKRZSA-N	0	3	241.375	2.203	50	30		BEEAHN
CCC[C@H](C#CCN(CC)CC)OC(C)=O	ZINC000005597679	187363764	/nfs/dbraw/zinc/36/37/64/187363764.db2.gz	NLGUSTWXEYDYFT-CYBMUJFWSA-N	0	3	225.332	2.063	50	30		BEEAHN
CCN(CC)CC#CC1(O)CCCCC1	ZINC000004898696	191120337	/nfs/dbraw/zinc/12/03/37/191120337.db2.gz	KMMFTPDVDFWYMU-UHFFFAOYSA-N	0	3	209.333	2.027	50	30		BEEAHN
C=CCOc1ccccc1CN1CCC[C@@H]1CO	ZINC000006667477	188052211	/nfs/dbraw/zinc/05/22/11/188052211.db2.gz	WVTSGTRVBKRDJR-CQSZACIVSA-N	0	3	247.338	2.208	50	30		BEEAHN
C=CCc1cc(C)ccc1OCCNCCOC	ZINC000003001135	188357185	/nfs/dbraw/zinc/35/71/85/188357185.db2.gz	WVXZQMOJEWAUIM-UHFFFAOYSA-N	0	3	249.354	2.338	50	30		BEEAHN
CC(=NNC(=N)N)c1ccc(Cl)cc1Cl	ZINC000252447246	363254610	/nfs/dbraw/zinc/25/46/10/363254610.db2.gz	HTTXEKCZUKHDEX-UHFFFAOYSA-N	0	3	245.113	2.200	50	30		BEEAHN
N#CC1(c2ccnc3ccccc32)CCNCC1	ZINC000035287541	181031668	/nfs/dbraw/zinc/03/16/68/181031668.db2.gz	RPSYMGLTJKBUON-UHFFFAOYSA-N	0	3	237.306	2.380	50	30		BEEAHN
N#CCCCN[C@H](CO)c1ccc(Cl)cc1	ZINC000195557837	181036584	/nfs/dbraw/zinc/03/65/84/181036584.db2.gz	SWCFMKDBEQJEOQ-GFCCVEGCSA-N	0	3	238.718	2.267	50	30		BEEAHN
N#Cc1ccccc1OCCN1CCCCC1	ZINC000004870201	181149085	/nfs/dbraw/zinc/14/90/85/181149085.db2.gz	WJQAKDHKXKDLHL-UHFFFAOYSA-N	0	3	230.311	2.423	50	30		BEEAHN
CN1CCC(N=Nc2ccccc2)CC1	ZINC000008091677	355435566	/nfs/dbraw/zinc/43/55/66/355435566.db2.gz	FYIOUNOYLRMDBE-UHFFFAOYSA-N	0	3	203.289	2.180	50	30		BEEAHN
C=C[C@@H]1CCCCN1CCc1cnn(CC)c1	ZINC000390834768	371240750	/nfs/dbraw/zinc/24/07/50/371240750.db2.gz	XZLKRIFNBSZCAB-CQSZACIVSA-N	0	3	233.359	2.486	50	30		BEEAHN
CCN1CCCC[C@H]1CNc1cc(C#N)ccn1	ZINC000283758174	371511525	/nfs/dbraw/zinc/51/15/25/371511525.db2.gz	MKXUPPFQWXYBLT-ZDUSSCGKSA-N	0	3	244.342	2.240	50	30		BEEAHN
O=C[C@H]1CCCN(Cc2ccccc2)C1	ZINC000038866805	384097246	/nfs/dbraw/zinc/09/72/46/384097246.db2.gz	VXLGEGLTEVHHOC-ZDUSSCGKSA-N	0	3	203.285	2.098	50	30		BEEAHN
C=C(C)CN[C@@H](C)c1cccc(CO)c1	ZINC000130793537	385059886	/nfs/dbraw/zinc/05/98/86/385059886.db2.gz	PERBRHAZTXHHKH-NSHDSACASA-N	0	3	205.301	2.406	50	30		BEEAHN
C=CC[C@@]1(CO)CCCN(Cc2ccco2)C1	ZINC000091986871	386317835	/nfs/dbraw/zinc/31/78/35/386317835.db2.gz	CDHQCWAIWMLQBE-CQSZACIVSA-N	0	3	235.327	2.430	50	30		BEEAHN
C=CCOc1ccc(CN(C)CCOC)cc1	ZINC000053419750	386986415	/nfs/dbraw/zinc/98/64/15/386986415.db2.gz	PDXHTFOURCLWBV-UHFFFAOYSA-N	0	3	235.327	2.330	50	30		BEEAHN
COC[C@H](C)NCc1ccc(C#N)c(Cl)c1	ZINC000381734820	388436107	/nfs/dbraw/zinc/43/61/07/388436107.db2.gz	OCWMIRHEJKDWJR-VIFPVBQESA-N	0	3	238.718	2.336	50	30		BEEAHN
C=CCC[C@@](C)(C#CCN1CCCC1)OC(C)=O	ZINC000005383279	166300462	/nfs/dbraw/zinc/30/04/62/166300462.db2.gz	VYBBLKOOGMOBMF-HNNXBMFYSA-N	0	3	249.354	2.374	50	30		BEEAHN
C=CCN(CC=C)C[C@H](O)COc1ccccc1	ZINC000002638977	166335343	/nfs/dbraw/zinc/33/53/43/166335343.db2.gz	JRGMLYQFVCUDCG-AWEZNQCLSA-N	0	3	247.338	2.100	50	30		BEEAHN
C=CCN1c2cc(C)c(C)cc2N2CCN=C12	ZINC000030822786	166353977	/nfs/dbraw/zinc/35/39/77/166353977.db2.gz	TVHRBLRIONCUOY-UHFFFAOYSA-N	0	3	227.311	2.485	50	30		BEEAHN
C=CCNCC#CCOc1ccc(CC)cc1	ZINC000016622610	166399178	/nfs/dbraw/zinc/39/91/78/166399178.db2.gz	ZKZZXSZWBMLTOQ-UHFFFAOYSA-N	0	3	229.323	2.407	50	30		BEEAHN
CC[C@@](C)(C#CCN1CCCCC1)OC(C)=O	ZINC000000194678	171162527	/nfs/dbraw/zinc/16/25/27/171162527.db2.gz	GWVKVVKUKYVACS-AWEZNQCLSA-N	0	3	237.343	2.208	50	30		BEEAHN
C[C@H](O)[C@H]1CCCCN1Cc1ccc(C#N)cc1	ZINC000069809619	177014709	/nfs/dbraw/zinc/01/47/09/177014709.db2.gz	GFSWFQKYQRKRQJ-SWLSCSKDSA-N	0	3	244.338	2.294	50	30		BEEAHN
C[C@H]1CN=C(NCc2ccccc2)S1	ZINC000004785783	177278816	/nfs/dbraw/zinc/27/88/16/177278816.db2.gz	TUSOLQRZIXORLP-VIFPVBQESA-N	0	3	206.314	2.268	50	30		BEEAHN
ON=C1CCN(Cc2ccccc2)CC1	ZINC000000184878	342679510	/nfs/dbraw/zinc/67/95/10/342679510.db2.gz	VIMRHNNRKUWOIZ-UHFFFAOYSA-N	0	3	204.273	2.113	50	30		BEEAHN
N#CCCNC12CC3CC(CC(C3)C1)C2	ZINC000003268175	342731795	/nfs/dbraw/zinc/73/17/95/342731795.db2.gz	DRROTNRHCXFLBA-UHFFFAOYSA-N	0	3	204.317	2.458	50	30		BEEAHN
CO[C@H](C)CN[C@H](C)c1ccc(C#N)cc1	ZINC000164074264	398327386	/nfs/dbraw/zinc/32/73/86/398327386.db2.gz	FTWXTJGGQNSKAI-GHMZBOCLSA-N	0	3	218.300	2.244	50	30		BEEAHN
CO[C@H](C)CN[C@@H](C)c1ccc(C#N)cc1	ZINC000164074024	398327393	/nfs/dbraw/zinc/32/73/93/398327393.db2.gz	FTWXTJGGQNSKAI-MNOVXSKESA-N	0	3	218.300	2.244	50	30		BEEAHN
CCN1CCCN(c2ccc(F)cc2C#N)CC1	ZINC000084789209	343546782	/nfs/dbraw/zinc/54/67/82/343546782.db2.gz	FNPATCUICQYWGD-UHFFFAOYSA-N	0	3	247.317	2.229	50	30		BEEAHN
C=C(C)CN(CC)[C@@H]1CCCN(C(C)C)C1=O	ZINC000095975882	187361656	/nfs/dbraw/zinc/36/16/56/187361656.db2.gz	XTTWAULNELCPKK-CYBMUJFWSA-N	0	3	238.375	2.284	50	30		BEEAHN
Cc1cccc(N2CCC(/N=C/N(C)C)=N2)c1	ZINC000012410231	179122006	/nfs/dbraw/zinc/12/20/06/179122006.db2.gz	WNLWQXPSPUDQGA-GXDHUFHOSA-N	0	3	230.315	2.109	50	30		BEEAHN
C=CCN1CCC[C@H]1c1c(C)nn(C)c1C	ZINC000075132377	166354711	/nfs/dbraw/zinc/35/47/11/166354711.db2.gz	LAFKBBVBFYUMDX-LBPRGKRZSA-N	0	3	219.332	2.360	50	30		BEEAHN
C=C(C)CN1CCC[C@@H]1c1cnn(C)c1	ZINC000070007020	188047876	/nfs/dbraw/zinc/04/78/76/188047876.db2.gz	OPRABFBTTVJBOT-GFCCVEGCSA-N	0	3	205.305	2.133	50	30		BEEAHN
N#CC(c1ccccn1)c1ccc(Cl)nn1	ZINC000000169587	188272425	/nfs/dbraw/zinc/27/24/25/188272425.db2.gz	QRUUQMRAWJZDCW-QMMMGPOBSA-N	0	3	230.658	2.180	50	30		BEEAHN
C#CCN(C)Cc1ccc(O)c2ncccc12	ZINC000038192602	188354967	/nfs/dbraw/zinc/35/49/67/188354967.db2.gz	FQFLPZZATVCNLA-UHFFFAOYSA-N	0	3	226.279	2.005	50	30		BEEAHN
C=CC[C@]1(CO)CCCN(Cc2ccco2)C1	ZINC000091986870	386319933	/nfs/dbraw/zinc/31/99/33/386319933.db2.gz	CDHQCWAIWMLQBE-AWEZNQCLSA-N	0	3	235.327	2.430	50	30		BEEAHN
CC(C)N(CC#C[C@H](C)O)Cc1ccccc1	ZINC000002472969	386675192	/nfs/dbraw/zinc/67/51/92/386675192.db2.gz	JESMPIWGMKDYSZ-AWEZNQCLSA-N	0	3	231.339	2.281	50	30		BEEAHN
C[C@H](Cc1ccco1)N1CCC(C#N)CC1	ZINC000575606321	387391564	/nfs/dbraw/zinc/39/15/64/387391564.db2.gz	IDGIXTMFCQSSOV-LLVKDONJSA-N	0	3	218.300	2.446	50	30		BEEAHN
C=CCNCc1cnc(-c2ccccn2)s1	ZINC000119546708	387474851	/nfs/dbraw/zinc/47/48/51/387474851.db2.gz	CZCAHMLIGIDSNR-UHFFFAOYSA-N	0	3	231.324	2.481	50	30		BEEAHN
C[C@@H](O)C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000065288564	388255745	/nfs/dbraw/zinc/25/57/45/388255745.db2.gz	JODVMTOGBDEGON-GFCCVEGCSA-N	0	3	244.338	2.151	50	30		BEEAHN
C=CCN1CCN(CC=C)[C@@H](CCC)C1	ZINC000089950027	166356895	/nfs/dbraw/zinc/35/68/95/166356895.db2.gz	WOIOWEAZWCPXIP-ZDUSSCGKSA-N	0	3	208.349	2.145	50	30		BEEAHN
N#Cc1cccc(CN2CCCCC[C@H]2CO)c1	ZINC000133522335	411186033	/nfs/dbraw/zinc/18/60/33/411186033.db2.gz	KOCLQJDRXICCKW-HNNXBMFYSA-N	0	3	244.338	2.295	50	30		BEEAHN
CC(C)(CNc1ncccc1C#N)N1CCCC1	ZINC000670457668	487510703	/nfs/dbraw/zinc/51/07/03/487510703.db2.gz	BLCNQDMAVBMZLT-UHFFFAOYSA-N	0	3	244.342	2.240	50	30		BEEAHN
N#CC1(c2ccc(Cl)cc2)CCNCC1	ZINC000071522769	259332010	/nfs/dbraw/zinc/33/20/10/259332010.db2.gz	PZZPISYIGMLPJB-UHFFFAOYSA-N	0	3	220.703	2.485	50	30		BEEAHN
C=CCC[C@@H](O)CN1CCCC[C@H]1c1cn[nH]c1	ZINC000247665074	344309854	/nfs/dbraw/zinc/30/98/54/344309854.db2.gz	XXZDASLPAMGTDW-KGLIPLIRSA-N	0	3	249.358	2.264	50	30		BEEAHN
N#C[C@@H]1CNC[C@@H]1c1ccccc1Cl	ZINC000259673125	344682155	/nfs/dbraw/zinc/68/21/55/344682155.db2.gz	JXGRSWBBZMWJMA-SCZZXKLOSA-N	0	3	206.676	2.167	50	30		BEEAHN
CCCCCOc1ccc(C=NNC(=N)N)cc1	ZINC000252446871	363254165	/nfs/dbraw/zinc/25/41/65/363254165.db2.gz	CFNOSYVFYPBETC-UHFFFAOYSA-N	0	3	248.330	2.073	50	30		BEEAHN
N#CC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000039214378	181044943	/nfs/dbraw/zinc/04/49/43/181044943.db2.gz	HYBXAXKMVJEWHM-CYBMUJFWSA-N	0	3	200.285	2.422	50	30		BEEAHN
N#Cc1ccc(OCCN2CCCC2)cc1	ZINC000011959657	181127961	/nfs/dbraw/zinc/12/79/61/181127961.db2.gz	CDIZHIFLNQNLOO-UHFFFAOYSA-N	0	3	216.284	2.033	50	30		BEEAHN
CN(C)CC#C[C@@]1(C)CCCC(C)(C)O1	ZINC000006668111	360559957	/nfs/dbraw/zinc/55/99/57/360559957.db2.gz	RSUHJILXOKLURG-CYBMUJFWSA-N	0	3	209.333	2.289	50	30		BEEAHN
NCC#Cc1ccc(Cl)cc1Cl	ZINC000040940964	181345801	/nfs/dbraw/zinc/34/58/01/181345801.db2.gz	DTMYNCXDTDBBTG-UHFFFAOYSA-N	0	3	200.068	2.304	50	30		BEEAHN
CCN(CC)CC#C[C@](C)(O)c1ccccc1	ZINC000002485691	371558513	/nfs/dbraw/zinc/55/85/13/371558513.db2.gz	DODFZHPJPSNPPW-HNNXBMFYSA-N	0	3	231.339	2.239	50	30		BEEAHN
CCN(CC)CC#C[C@@](C)(O)c1ccccc1	ZINC000002485692	371558771	/nfs/dbraw/zinc/55/87/71/371558771.db2.gz	DODFZHPJPSNPPW-OAHLLOKOSA-N	0	3	231.339	2.239	50	30		BEEAHN
CCCCCNCC(=O)Nc1ccccc1C#N	ZINC000003338944	371961141	/nfs/dbraw/zinc/96/11/41/371961141.db2.gz	JKYNNQMPVBUOKJ-UHFFFAOYSA-N	0	3	245.326	2.277	50	30		BEEAHN
C=C1N2CCC(CC2)[C@@]1(O)c1ccccc1C	ZINC000000550871	383874619	/nfs/dbraw/zinc/87/46/19/383874619.db2.gz	PFKAJVHTQNHMGR-OAHLLOKOSA-N	0	3	229.323	2.422	50	30		BEEAHN
COC[C@@H](NCc1ccc(F)c(C#N)c1)C1CC1	ZINC000097110068	384373118	/nfs/dbraw/zinc/37/31/18/384373118.db2.gz	VRJHRZCLWCKFQC-CQSZACIVSA-N	0	3	248.301	2.212	50	30		BEEAHN
C=C(Cl)CN(CC)C[C@H]1CCOC1	ZINC000052072308	385640255	/nfs/dbraw/zinc/64/02/55/385640255.db2.gz	ZYLIYHABYVZALL-SNVBAGLBSA-N	0	3	203.713	2.097	50	30		BEEAHN
C=CCNCc1cccc(OC)c1OCC	ZINC000006703227	386829477	/nfs/dbraw/zinc/82/94/77/386829477.db2.gz	NFQBOSRJVNJTFD-UHFFFAOYSA-N	0	3	221.300	2.370	50	30		BEEAHN
N#CC(C(=O)C1CC1)c1ccc([N+](=O)[O-])cc1	ZINC000536953369	387166741	/nfs/dbraw/zinc/16/67/41/387166741.db2.gz	LKUCPBWARYUZOW-NSHDSACASA-N	0	3	230.223	2.181	50	30		BEEAHN
CC(C)n1cnnc1CNCC(C)(C)CCC#N	ZINC000089156542	387138724	/nfs/dbraw/zinc/13/87/24/387138724.db2.gz	IKQLTNKMJKSHKO-UHFFFAOYSA-N	0	3	249.362	2.279	50	30		BEEAHN
C=C(C)CN1CCN(CCc2ccccc2)CC1	ZINC000055105903	388660118	/nfs/dbraw/zinc/66/01/18/388660118.db2.gz	VCHAXKGOIZAFJL-UHFFFAOYSA-N	0	3	244.382	2.423	50	30		BEEAHN
C=CCN1CCN(CCc2ccccc2)CC1	ZINC000055378880	166355468	/nfs/dbraw/zinc/35/54/68/166355468.db2.gz	MAYNPMCHHRDYIQ-UHFFFAOYSA-N	0	3	230.355	2.033	50	30		BEEAHN
C=CCNCCOc1ccc(Cl)cc1	ZINC000004568348	166398797	/nfs/dbraw/zinc/39/87/97/166398797.db2.gz	QCXCFKFEQLGNHB-UHFFFAOYSA-N	0	3	211.692	2.494	50	30		BEEAHN
CN(C)/C=N/c1c(C=O)[nH]c2ccccc21	ZINC000004113388	172351845	/nfs/dbraw/zinc/35/18/45/172351845.db2.gz	KVFADAWUBWXUNR-MDWZMJQESA-N	0	3	215.256	2.202	50	30		BEEAHN
C[C@H]1CCC[C@H](C)N1CC#CC(C)(C)O	ZINC000000197977	177131143	/nfs/dbraw/zinc/13/11/43/177131143.db2.gz	RCTTWLVFPRFKCS-RYUDHWBXSA-N	0	3	209.333	2.024	50	30		BEEAHN
C[C@H]1CN(Cc2ccccc2)CCCN1CC#N	ZINC000077371677	177265453	/nfs/dbraw/zinc/26/54/53/177265453.db2.gz	IWTJNJZYNZMQQE-AWEZNQCLSA-N	0	3	243.354	2.106	50	30		BEEAHN
CC[C@@H]1CCC[C@H](CN2CCN(CC#N)CC2)C1	ZINC000097372963	322987692	/nfs/dbraw/zinc/98/76/92/322987692.db2.gz	NSRJMPYFDGRBMZ-CABCVRRESA-N	0	3	249.402	2.344	50	30		BEEAHN
Cc1cccc(N2CCC(N=CN(C)C)=N2)c1	ZINC000252634420	524536586	/nfs/dbraw/zinc/53/65/86/524536586.db2.gz	WNLWQXPSPUDQGA-UHFFFAOYSA-N	0	3	230.315	2.109	50	30		BEEAHN
CN(C)[C@]1(C)C[C@H]2[C@@H](C/C1=N\O)C2(C)C	ZINC000004754442	343273596	/nfs/dbraw/zinc/27/35/96/343273596.db2.gz	HKAOKTVQPVELEF-AKHJPCGYSA-N	0	3	210.321	2.203	50	30		BEEAHN
Cc1nnc(C)n1/N=C/C=C/c1ccccc1	ZINC000003161044	180399720	/nfs/dbraw/zinc/39/97/20/180399720.db2.gz	ZYMVGGLXPWXMSZ-UYQSWCAZSA-N	0	3	226.283	2.442	50	30		BEEAHN
CC(C)N(CC#C[C@@H](C)O)Cc1ccccc1	ZINC000002472278	188101081	/nfs/dbraw/zinc/10/10/81/188101081.db2.gz	JESMPIWGMKDYSZ-CQSZACIVSA-N	0	3	231.339	2.281	50	30		BEEAHN
CCN(CC)CC#C[C@](C)(CC)OC(C)=O	ZINC000002495981	188159761	/nfs/dbraw/zinc/15/97/61/188159761.db2.gz	UZMDIVRLXBKLIN-ZDUSSCGKSA-N	0	3	225.332	2.063	50	30		BEEAHN
C=C(C)[C@@](C)(C#CCN1CCCCC1)OC(C)=O	ZINC000000034303	188224819	/nfs/dbraw/zinc/22/48/19/188224819.db2.gz	MVJFRLUIXNRCEF-OAHLLOKOSA-N	0	3	249.354	2.374	50	30		BEEAHN
[O-]/N=C/c1ccc[n+](C/C=C/c2ccccc2)c1	ZINC000000254727	383848172	/nfs/dbraw/zinc/84/81/72/383848172.db2.gz	IFQYJFXMYGYGIU-ZWEOZJOFSA-O	0	3	239.298	2.496	50	30		BEEAHN
Cc1ccc(C(=O)ON=C2CCN(C)CC2)cc1	ZINC000000262176	383848560	/nfs/dbraw/zinc/84/85/60/383848560.db2.gz	FREHWXIAZVLBMM-UHFFFAOYSA-N	0	3	246.310	2.233	50	30		BEEAHN
COC[C@H](NCc1ccc(F)c(C#N)c1)C1CC1	ZINC000097110066	384371203	/nfs/dbraw/zinc/37/12/03/384371203.db2.gz	VRJHRZCLWCKFQC-AWEZNQCLSA-N	0	3	248.301	2.212	50	30		BEEAHN
CC(C)=CCC(C)(C)/C=N\n1cnnc1	ZINC000030713693	385026663	/nfs/dbraw/zinc/02/66/63/385026663.db2.gz	AZOCAQBVSYWOEC-AUWJEWJLSA-N	0	3	206.293	2.495	50	30		BEEAHN
C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1cccc(C#N)c1	ZINC000183585083	385687559	/nfs/dbraw/zinc/68/75/59/385687559.db2.gz	YJVUJZQDUJGGLN-OSAQELSMSA-N	0	3	242.322	2.146	50	30		BEEAHN
CN(C)C=Nc1ccc(C(=O)/C=C/N(C)C)cc1	ZINC000254752951	388358713	/nfs/dbraw/zinc/35/87/13/388358713.db2.gz	SARUUKFAZZNXLN-VSKGTYBNSA-N	0	3	245.326	2.166	50	30		BEEAHN
N#CCCCN[C@@H](CO)c1ccc(Cl)cc1	ZINC000195557835	388482605	/nfs/dbraw/zinc/48/26/05/388482605.db2.gz	SWCFMKDBEQJEOQ-LBPRGKRZSA-N	0	3	238.718	2.267	50	30		BEEAHN
C=CCCN1CCN(Cc2cccc(O)c2)CC1	ZINC000079014093	166263569	/nfs/dbraw/zinc/26/35/69/166263569.db2.gz	MSISGWIITXBEFG-UHFFFAOYSA-N	0	3	246.354	2.086	50	30		BEEAHN
N#Cc1cccc(CN2CCCCC[C@@H]2CO)c1	ZINC000133522113	411185906	/nfs/dbraw/zinc/18/59/06/411185906.db2.gz	KOCLQJDRXICCKW-OAHLLOKOSA-N	0	3	244.338	2.295	50	30		BEEAHN
CC1=C[C@H](C)[C@@H](/C=N/n2cnnc2)[C@H](C)C1	ZINC000000493997	168130286	/nfs/dbraw/zinc/13/02/86/168130286.db2.gz	UAUNHPQNZAJKTA-FVPDNGAESA-N	0	3	218.304	2.350	50	30		BEEAHN
CC[C@@](C)(C#CCN1CCCC1)OCCC#N	ZINC000002296069	171162619	/nfs/dbraw/zinc/16/26/19/171162619.db2.gz	WELKEPIWDTYCGL-AWEZNQCLSA-N	0	3	234.343	2.185	50	30		BEEAHN
CN(C)CC=CC(=O)C#Cc1ccccc1	ZINC000102295947	172351139	/nfs/dbraw/zinc/35/11/39/172351139.db2.gz	BEWJFTPCXCBHNS-WUXMJOGZSA-N	0	3	213.280	2.073	50	30		BEEAHN
CN1CCS/C1=N\Cc1ccccc1	ZINC000003378456	173109754	/nfs/dbraw/zinc/10/97/54/173109754.db2.gz	RIARHCXRZZZOOE-QXMHVHEDSA-N	0	3	206.314	2.221	50	30		BEEAHN
COC(=O)c1oc2ccccc2c1/N=C/N(C)C	ZINC000006830308	173920163	/nfs/dbraw/zinc/92/01/63/173920163.db2.gz	AKXCKWLQTUKMEJ-RIYZIHGNSA-N	0	3	246.266	2.441	50	30		BEEAHN
C[C@H]1CCN(CC#N)CCN1Cc1ccccc1	ZINC000076089728	177157431	/nfs/dbraw/zinc/15/74/31/177157431.db2.gz	XYLHTFXAUIULGD-AWEZNQCLSA-N	0	3	243.354	2.106	50	30		BEEAHN
CC[C@@H]1CCC[C@@H](CN2CCN(CC#N)CC2)C1	ZINC000097372965	322987540	/nfs/dbraw/zinc/98/75/40/322987540.db2.gz	NSRJMPYFDGRBMZ-HUUCEWRRSA-N	0	3	249.402	2.344	50	30		BEEAHN
CC[C@H]1CCC[C@@H](CN2CCN(CC#N)CC2)C1	ZINC000097372966	322987564	/nfs/dbraw/zinc/98/75/64/322987564.db2.gz	NSRJMPYFDGRBMZ-LSDHHAIUSA-N	0	3	249.402	2.344	50	30		BEEAHN
CN(Cc1cccc(C#N)c1)CC1(CO)CCC1	ZINC000670444599	487492147	/nfs/dbraw/zinc/49/21/47/487492147.db2.gz	PGVXIBYQNABXGB-UHFFFAOYSA-N	0	3	244.338	2.153	50	30		BEEAHN
C=C(C)CN(Cc1ccccc1)[C@H](C)CO	ZINC000096441567	343738716	/nfs/dbraw/zinc/73/87/16/343738716.db2.gz	MYHYQOWBBYZIDE-CYBMUJFWSA-N	0	3	219.328	2.446	50	30		BEEAHN
CN1CCC(N=Nc2nc3ccccc3[nH]2)CC1	ZINC000004864249	344747162	/nfs/dbraw/zinc/74/71/62/344747162.db2.gz	QCCXEYHQHRKZFA-UHFFFAOYSA-N	0	3	243.314	2.056	50	30		BEEAHN
C=C1N2CCC(CC2)[C@]1(O)c1ccccc1	ZINC000000260935	346406092	/nfs/dbraw/zinc/40/60/92/346406092.db2.gz	ZZNFAHFZYUQEAO-CQSZACIVSA-N	0	3	215.296	2.114	50	30		BEEAHN
CC(C)(C)C#CCNC[C@@H](O)c1ccccc1	ZINC000020654089	188104082	/nfs/dbraw/zinc/10/40/82/188104082.db2.gz	BVZPXAPTCMDWJQ-CQSZACIVSA-N	0	3	231.339	2.359	50	30		BEEAHN
N#CC(C(=O)C1CC1)c1ccccc1F	ZINC000049671536	181054249	/nfs/dbraw/zinc/05/42/49/181054249.db2.gz	MKMPWMYJSPIFAU-SNVBAGLBSA-N	0	3	203.216	2.412	50	30		BEEAHN
N#Cc1ccc(OCCN2CCCCC2)cc1	ZINC000004841126	181127403	/nfs/dbraw/zinc/12/74/03/181127403.db2.gz	IHUHHDZOKYZNOQ-UHFFFAOYSA-N	0	3	230.311	2.423	50	30		BEEAHN
COc1ccc(OCC#CCN2CCCC2)cc1	ZINC000004985838	355354804	/nfs/dbraw/zinc/35/48/04/355354804.db2.gz	MRHRINWJFUIVPK-UHFFFAOYSA-N	0	3	245.322	2.173	50	30		BEEAHN
O=C1CCCC(=O)C1[C@@H]1NCCc2ccccc21	ZINC000020389218	371277960	/nfs/dbraw/zinc/27/79/60/371277960.db2.gz	ICRXRMSBNBVACL-OAHLLOKOSA-N	0	3	243.306	2.439	50	30		BEEAHN
CCCN(CCOC)Cc1ccc(C#N)cc1	ZINC000047726343	169168311	/nfs/dbraw/zinc/16/83/11/169168311.db2.gz	VYIUSMOQVQNVLB-UHFFFAOYSA-N	0	3	232.327	2.417	50	30		BEEAHN
C[C@@H](CC#CCN1CCCCC1)OCCC#N	ZINC000002933079	383992123	/nfs/dbraw/zinc/99/21/23/383992123.db2.gz	DTQNIDYRHUKRAZ-AWEZNQCLSA-N	0	3	234.343	2.185	50	30		BEEAHN
C#CCN1CCC(c2nc3ccccc3[nH]2)CC1	ZINC000071897143	384038605	/nfs/dbraw/zinc/03/86/05/384038605.db2.gz	CSLOBAHCUFUMMA-UHFFFAOYSA-N	0	3	239.322	2.376	50	30		BEEAHN
O=C[C@H]1CCCN(Cc2ccccc2)CC1	ZINC000038478289	384083144	/nfs/dbraw/zinc/08/31/44/384083144.db2.gz	ZXLSORCCVKGQBQ-AWEZNQCLSA-N	0	3	217.312	2.488	50	30		BEEAHN
C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(C#N)cc1	ZINC000183586094	385686802	/nfs/dbraw/zinc/68/68/02/385686802.db2.gz	AUKSZFPGGAWDSS-CORIIIEPSA-N	0	3	242.322	2.146	50	30		BEEAHN
CCN(CC)CC#C[C@@H](C)OC(=O)c1ccco1	ZINC000089967885	388378062	/nfs/dbraw/zinc/37/80/62/388378062.db2.gz	IOBMXATXORJXHO-GFCCVEGCSA-N	0	3	249.310	2.170	50	30		BEEAHN
C=CCN(C)Cc1ccc(OC)c(OC)c1	ZINC000048343691	166323512	/nfs/dbraw/zinc/32/35/12/166323512.db2.gz	IYOFMUVHZOJOAB-UHFFFAOYSA-N	0	3	221.300	2.322	50	30		BEEAHN
C=CCN(CC=C)C[C@@H](O)COc1ccccc1	ZINC000002638978	166333949	/nfs/dbraw/zinc/33/39/49/166333949.db2.gz	JRGMLYQFVCUDCG-CQSZACIVSA-N	0	3	247.338	2.100	50	30		BEEAHN
C=CCN1CCN(CC=C)[C@H](CCC)C1	ZINC000089950026	166355818	/nfs/dbraw/zinc/35/58/18/166355818.db2.gz	WOIOWEAZWCPXIP-CYBMUJFWSA-N	0	3	208.349	2.145	50	30		BEEAHN
CN1CCS/C1=N/Cc1ccccc1	ZINC000105788146	173110714	/nfs/dbraw/zinc/11/07/14/173110714.db2.gz	RIARHCXRZZZOOE-VAWYXSNFSA-N	0	3	206.314	2.221	50	30		BEEAHN
COc1ccc(/C=N/O)cc1CN1CCCCC1	ZINC000020096662	175048816	/nfs/dbraw/zinc/04/88/16/175048816.db2.gz	DAQQEJKHJZGGRS-XNTDXEJSSA-N	0	3	248.326	2.489	50	30		BEEAHN
CC[C@H]1CCC[C@H](CN2CCN(CC#N)CC2)C1	ZINC000097372964	322987542	/nfs/dbraw/zinc/98/75/42/322987542.db2.gz	NSRJMPYFDGRBMZ-GJZGRUSLSA-N	0	3	249.402	2.344	50	30		BEEAHN
CO[C@@H](C)CN[C@H](C)c1ccc(C#N)cc1	ZINC000164074132	487508131	/nfs/dbraw/zinc/50/81/31/487508131.db2.gz	FTWXTJGGQNSKAI-WDEREUQCSA-N	0	3	218.300	2.244	50	30		BEEAHN
CN1CCC(N=Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000328578074	523747142	/nfs/dbraw/zinc/74/71/42/523747142.db2.gz	WGEJFXFMJCMLQB-UHFFFAOYSA-N	0	3	248.286	2.088	50	30		BEEAHN
Cc1cc(SCCN(C)C)c(C#N)c(C)n1	ZINC000095418994	178218103	/nfs/dbraw/zinc/21/81/03/178218103.db2.gz	OKJNGLQCMCJBAU-UHFFFAOYSA-N	0	3	235.356	2.224	50	30		BEEAHN
C[C@H](CC#CCN1CCCCC1)OCCC#N	ZINC000002933081	342728339	/nfs/dbraw/zinc/72/83/39/342728339.db2.gz	DTQNIDYRHUKRAZ-CQSZACIVSA-N	0	3	234.343	2.185	50	30		BEEAHN
CCN(CC)/C(=N/c1ccccc1)n1cncn1	ZINC000004769690	344197374	/nfs/dbraw/zinc/19/73/74/344197374.db2.gz	KMWFEGMDWYINBT-SSZFMOIBSA-N	0	3	243.314	2.156	50	30		BEEAHN
Cc1nn(C)c(C)c1[C@@H]1CCCN1CCCC#N	ZINC000072253559	180347278	/nfs/dbraw/zinc/34/72/78/180347278.db2.gz	JHHHYCXKMYNEDE-ZDUSSCGKSA-N	0	3	246.358	2.478	50	30		BEEAHN
N#CC1CCN(c2ccc(Cl)cc2)C1=O	ZINC000012336637	181070164	/nfs/dbraw/zinc/07/01/64/181070164.db2.gz	OKPAZZYGDHLPBU-MRVPVSSYSA-N	0	3	220.659	2.216	50	30		BEEAHN
CC(=O)C(C#N)c1nnc(-c2ccccc2)s1	ZINC000006787809	360790250	/nfs/dbraw/zinc/79/02/50/360790250.db2.gz	DSGCOUBBKLWQBK-JTQLQIEISA-N	0	3	243.291	2.401	50	30		BEEAHN
C=C(C)CNC[C@H]1OCCc2ccccc21	ZINC000000168994	383855695	/nfs/dbraw/zinc/85/56/95/383855695.db2.gz	GTSIPQNNVZDQNP-CQSZACIVSA-N	0	3	217.312	2.466	50	30	biogenic	BEEAHN
CCN(CC)CC#CC(O)(C(C)C)C(C)C	ZINC000001756853	383935538	/nfs/dbraw/zinc/93/55/38/383935538.db2.gz	MYYAFSWWAQQTEA-UHFFFAOYSA-N	0	3	225.376	2.375	50	30		BEEAHN
C#CCN1CCC[C@]2(CCOC(C)(C)C2)C1	ZINC000061999348	385023868	/nfs/dbraw/zinc/02/38/68/385023868.db2.gz	ORIYYODJNDTELE-CQSZACIVSA-N	0	3	221.344	2.291	50	30	biogenic	BEEAHN
C=C(Cl)CN1CCC[C@@H](N2CCCC2)C1	ZINC000069520481	388418787	/nfs/dbraw/zinc/41/87/87/388418787.db2.gz	XNOLKDYRGVZHRN-GFCCVEGCSA-N	0	3	228.767	2.299	50	30		BEEAHN
C=CCN1CCC(Nc2ccc(F)cn2)CC1	ZINC000252497444	166352937	/nfs/dbraw/zinc/35/29/37/166352937.db2.gz	QHXOXFOINBGNKQ-UHFFFAOYSA-N	0	3	235.306	2.283	50	30		BEEAHN
COCCCN(C)Cc1cccc(C#N)c1	ZINC000051400921	174218873	/nfs/dbraw/zinc/21/88/73/174218873.db2.gz	DPJRYMMANBNEII-UHFFFAOYSA-N	0	3	218.300	2.027	50	30		BEEAHN
COc1ccc(/C(C)=N/O)cc1CN1CCCC1	ZINC000012339736	175045381	/nfs/dbraw/zinc/04/53/81/175045381.db2.gz	XWVMLDAUWHCXOV-RVDMUPIBSA-N	0	3	248.326	2.489	50	30		BEEAHN
C[C@@H]1CCC[C@@H](C)N1CC#CC(C)(C)O	ZINC000000197975	176115545	/nfs/dbraw/zinc/11/55/45/176115545.db2.gz	RCTTWLVFPRFKCS-VXGBXAGGSA-N	0	3	209.333	2.024	50	30		BEEAHN
CC[C@H]1C=CCN1Cc1cc(C#CCO)cs1	ZINC000952969801	644446121	/nfs/dbraw/zinc/44/61/21/644446121.db2.gz	BOLXFFUCDIDSQK-ZDUSSCGKSA-N	0	3	247.363	2.242	50	30		BEEAHN
Clc1cccc(Cl)c1NC1=NCCN1	ZINC000000896484	342694413	/nfs/dbraw/zinc/69/44/13/342694413.db2.gz	GJSURZIOUXUGAL-UHFFFAOYSA-N	0	3	230.098	2.174	50	30	aggregator,fda	BEEAHN
CCN1CCCC[C@@H]1CNc1ccc(C#N)cn1	ZINC000071902743	342772042	/nfs/dbraw/zinc/77/20/42/342772042.db2.gz	HSDFMFSQUGAZSC-CYBMUJFWSA-N	0	3	244.342	2.240	50	30		BEEAHN
CCN1CCCC[C@H]1CNc1ccc(C#N)cn1	ZINC000071902744	342772120	/nfs/dbraw/zinc/77/21/20/342772120.db2.gz	HSDFMFSQUGAZSC-ZDUSSCGKSA-N	0	3	244.342	2.240	50	30		BEEAHN
CC1(C)CN(Cc2cccc(C#N)c2)C[C@]1(C)O	ZINC000091819639	343657451	/nfs/dbraw/zinc/65/74/51/343657451.db2.gz	BKGJRPQIPVWRNQ-HNNXBMFYSA-N	0	3	244.338	2.151	50	30		BEEAHN
C=CCCN[C@@H](CO)c1cc(F)c(F)c(F)c1	ZINC000096500909	166266552	/nfs/dbraw/zinc/26/65/52/166266552.db2.gz	QCGDIMBQOZIWCS-NSHDSACASA-N	0	3	245.244	2.303	50	30		BEEAHN
C=CCc1cc(OC)ccc1OCCN(C)C	ZINC000004907213	188156900	/nfs/dbraw/zinc/15/69/00/188156900.db2.gz	BTUOJPZDMMKHIB-UHFFFAOYSA-N	0	3	235.327	2.364	50	30		BEEAHN
CC(=NNC(=N)N)c1ccc(Cl)c(Cl)c1	ZINC000252448444	364669462	/nfs/dbraw/zinc/66/94/62/364669462.db2.gz	WSAFOSLUYCQLSH-UHFFFAOYSA-N	0	3	245.113	2.200	50	30		BEEAHN
CC[C@](C)(C#CCN1CCCC1)OCCC#N	ZINC000002296070	369048114	/nfs/dbraw/zinc/04/81/14/369048114.db2.gz	WELKEPIWDTYCGL-CQSZACIVSA-N	0	3	234.343	2.185	50	30		BEEAHN
Cc1cc(/C=N\O)c(C)n1-c1ccncc1	ZINC000018122900	369431795	/nfs/dbraw/zinc/43/17/95/369431795.db2.gz	GKDAFYOBVMSVCO-ZSOIEALJSA-N	0	3	215.256	2.297	50	30		BEEAHN
CN(C)CCC(=O)/C=C/c1ccccc1	ZINC000001724535	383932045	/nfs/dbraw/zinc/93/20/45/383932045.db2.gz	JLWRSVWWZYOKTL-CMDGGOBGSA-N	0	3	203.285	2.221	50	30		BEEAHN
C[C@H](O)CN(CCCC#N)Cc1ccccc1	ZINC000096421170	385146975	/nfs/dbraw/zinc/14/69/75/385146975.db2.gz	MORMNGMFYFMGFF-ZDUSSCGKSA-N	0	3	232.327	2.173	50	30		BEEAHN
C#CCN(CC)[C@H](C)c1cccc(O)c1	ZINC000096455328	385175378	/nfs/dbraw/zinc/17/53/78/385175378.db2.gz	NDXQDJPAFBWKDZ-LLVKDONJSA-N	0	3	203.285	2.408	50	30		BEEAHN
C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(C#N)cc1	ZINC000183586113	385686720	/nfs/dbraw/zinc/68/67/20/385686720.db2.gz	AUKSZFPGGAWDSS-OSAQELSMSA-N	0	3	242.322	2.146	50	30		BEEAHN
C[C@@H]1CN(Cc2cccc(C#N)c2)[C@H]1C	ZINC000292940290	385731135	/nfs/dbraw/zinc/73/11/35/385731135.db2.gz	HSBIDQSXWNRDAQ-MNOVXSKESA-N	0	3	200.285	2.398	50	30		BEEAHN
CC#CC[C@H](CO)NCc1ccc(Cl)s1	ZINC000585116594	386673480	/nfs/dbraw/zinc/67/34/80/386673480.db2.gz	BYFMWDMOLDYOPI-SECBINFHSA-N	0	3	243.759	2.265	50	30		BEEAHN
C[C@H](CC#N)NC1CCC(N[C@H](C)CC#N)CC1	ZINC000067406042	388406164	/nfs/dbraw/zinc/40/61/64/388406164.db2.gz	CSSMOPKKZCEXQQ-IWMBGFJWSA-N	0	3	248.374	2.081	50	30		BEEAHN
Cn1cc([C@H]2CCCN2CCCCC#N)cn1	ZINC000069808070	388427106	/nfs/dbraw/zinc/42/71/06/388427106.db2.gz	NHSVHRAOJKMOGX-CYBMUJFWSA-N	0	3	232.331	2.251	50	30		BEEAHN
C=C(C)CN[C@@H](CCO)c1ccccc1	ZINC000096490938	388819307	/nfs/dbraw/zinc/81/93/07/388819307.db2.gz	BIMKBCVCQKIKRK-ZDUSSCGKSA-N	0	3	205.301	2.276	50	30		BEEAHN
C=CCNC(=O)CNC(C)(C)c1cccc(C)c1	ZINC000096491927	166370388	/nfs/dbraw/zinc/37/03/88/166370388.db2.gz	YOLGJDSDKDZMCW-UHFFFAOYSA-N	0	3	246.354	2.122	50	30		BEEAHN
Cc1cccc(NC(=O)C(C#N)C(=O)C2CC2)c1	ZINC000103503989	410900401	/nfs/dbraw/zinc/90/04/01/410900401.db2.gz	JNGCNWDQJNEXAY-LBPRGKRZSA-N	0	3	242.278	2.052	50	30		BEEAHN
C=C(C)CN(C[C@H]1CCCO1)C[C@H]1CCCO1	ZINC000047775007	411164713	/nfs/dbraw/zinc/16/47/13/411164713.db2.gz	VRGUYBHFEHRGRU-ZIAGYGMSSA-N	0	3	239.359	2.223	50	30		BEEAHN
CCC(C#CCN1CCCC1)(CC)OC(C)=O	ZINC000004996823	168260983	/nfs/dbraw/zinc/26/09/83/168260983.db2.gz	VFWROASODQPSMF-UHFFFAOYSA-N	0	3	237.343	2.208	50	30		BEEAHN
CC(=O)O[C@](C)(C#CCN1CCCC1)C(C)C	ZINC000005384580	970813813	/nfs/dbraw/zinc/81/38/13/970813813.db2.gz	CRDATSKIRMKMGS-CQSZACIVSA-N	0	3	237.343	2.063	50	30		BEEAHN
C#Cc1ccc(CNCc2c(C)n[nH]c2C)cc1	ZINC000585084419	972117630	/nfs/dbraw/zinc/11/76/30/972117630.db2.gz	UYKWEBAPRSQVNY-UHFFFAOYSA-N	0	3	239.322	2.298	50	30		BEEAHN
CC(C)C(=O)C(C#N)c1ccccc1[N+](=O)[O-]	ZINC000536954425	398198063	/nfs/dbraw/zinc/19/80/63/398198063.db2.gz	UKTNMUVREWHSPE-JTQLQIEISA-N	0	3	232.239	2.427	50	30		BEEAHN
COC(=O)C(C#N)Cc1ccccc1Cl	ZINC000000056765	342671892	/nfs/dbraw/zinc/67/18/92/342671892.db2.gz	UINYMUPWCAHBKX-VIFPVBQESA-N	0	3	223.659	2.195	50	30		BEEAHN
Clc1ccc(Cl)c(NC2=NCCN2)c1	ZINC000026167257	343101523	/nfs/dbraw/zinc/10/15/23/343101523.db2.gz	BYALCVXDQPAMHM-UHFFFAOYSA-N	0	3	230.098	2.174	50	30		BEEAHN
N#C[C@H]1CNC[C@@H]1c1ccccc1Cl	ZINC000259673130	344682311	/nfs/dbraw/zinc/68/23/11/344682311.db2.gz	JXGRSWBBZMWJMA-WPRPVWTQSA-N	0	3	206.676	2.167	50	30		BEEAHN
C=C(C)CN1CCCC[C@@H]1Cn1cccn1	ZINC000069771462	188111571	/nfs/dbraw/zinc/11/15/71/188111571.db2.gz	TZRMIDRYQYADHW-CYBMUJFWSA-N	0	3	219.332	2.314	50	30		BEEAHN
N#CC1CCN(c2ccc(Cl)cc2)C1=O	ZINC000012336636	181061091	/nfs/dbraw/zinc/06/10/91/181061091.db2.gz	OKPAZZYGDHLPBU-QMMMGPOBSA-N	0	3	220.659	2.216	50	30		BEEAHN
C[C@@]1([N+](=O)Cc2ccccc2[O-])CCCCC1=O	ZINC000002267986	368143104	/nfs/dbraw/zinc/14/31/04/368143104.db2.gz	VHJNNOBJFUIXFD-MKRLJBPISA-N	0	3	247.294	2.223	50	30		BEEAHN
C=C(C)CN(CC)C[C@@H](O)COc1ccccc1	ZINC000002639086	371617229	/nfs/dbraw/zinc/61/72/29/371617229.db2.gz	FSXVYJQGLCOBIR-CQSZACIVSA-N	0	3	249.354	2.324	50	30		BEEAHN
O=CC1CCN(Cc2ccccc2)CC1	ZINC000002579305	383979183	/nfs/dbraw/zinc/97/91/83/383979183.db2.gz	SGIBOXBBPQRZDM-UHFFFAOYSA-N	0	3	203.285	2.098	50	30	in-vitro	BEEAHN
C[C@@H](O)CN(CCCC#N)Cc1ccccc1	ZINC000096421171	385149135	/nfs/dbraw/zinc/14/91/35/385149135.db2.gz	MORMNGMFYFMGFF-CYBMUJFWSA-N	0	3	232.327	2.173	50	30		BEEAHN
CCN(CC)CC#C[C@@](C)(CC)OC(C)=O	ZINC000002495983	385282392	/nfs/dbraw/zinc/28/23/92/385282392.db2.gz	UZMDIVRLXBKLIN-CYBMUJFWSA-N	0	3	225.332	2.063	50	30		BEEAHN
C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1cccc(C#N)c1	ZINC000183585063	385686974	/nfs/dbraw/zinc/68/69/74/385686974.db2.gz	YJVUJZQDUJGGLN-CORIIIEPSA-N	0	3	242.322	2.146	50	30		BEEAHN
CN(C)CC#C[C@]1(C)CCCC(C)(C)O1	ZINC000006668110	387596954	/nfs/dbraw/zinc/59/69/54/387596954.db2.gz	RSUHJILXOKLURG-ZDUSSCGKSA-N	0	3	209.333	2.289	50	30		BEEAHN
C#CCN(C[C@H]1CCCO1)C1CCCC1	ZINC000075831409	388355881	/nfs/dbraw/zinc/35/58/81/388355881.db2.gz	NPDSALOHAANMKK-CYBMUJFWSA-N	0	3	207.317	2.043	50	30		BEEAHN
C[C@@H](CC#N)NC1CCC(N[C@@H](C)CC#N)CC1	ZINC000067406039	388406347	/nfs/dbraw/zinc/40/63/47/388406347.db2.gz	CSSMOPKKZCEXQQ-FEPKRQSRSA-N	0	3	248.374	2.081	50	30		BEEAHN
C=C(C)CN1CCCC[C@H]1Cn1nc(C)nc1C	ZINC000069600928	388421503	/nfs/dbraw/zinc/42/15/03/388421503.db2.gz	QYALVAYSCIHVRM-AWEZNQCLSA-N	0	3	248.374	2.326	50	30		BEEAHN
CC(C)(C)CN(CCO)Cc1ccc(C#N)cc1	ZINC000069809561	388427112	/nfs/dbraw/zinc/42/71/12/388427112.db2.gz	IEDDVXQOHZWXGC-UHFFFAOYSA-N	0	3	246.354	2.399	50	30		BEEAHN
CN(C)CCNc1c(Cl)cccc1C#N	ZINC000090998080	388590206	/nfs/dbraw/zinc/59/02/06/388590206.db2.gz	FXHDLKRAKDFACB-UHFFFAOYSA-N	0	3	223.707	2.185	50	30		BEEAHN
C=C(C)CN[C@H](CCO)c1ccccc1	ZINC000096490940	388820137	/nfs/dbraw/zinc/82/01/37/388820137.db2.gz	BIMKBCVCQKIKRK-CYBMUJFWSA-N	0	3	205.301	2.276	50	30		BEEAHN
C=CCSc1ccccc1N1CCNCC1	ZINC000044124511	132224959	/nfs/dbraw/zinc/22/49/59/132224959.db2.gz	JSQJCMMGDKWLNW-UHFFFAOYSA-N	0	3	234.368	2.374	50	30		BEEAHN
C[C@@H]1CCN(CC#N)CCN1Cc1ccccc1	ZINC000076089727	176166495	/nfs/dbraw/zinc/16/64/95/176166495.db2.gz	XYLHTFXAUIULGD-CQSZACIVSA-N	0	3	243.354	2.106	50	30		BEEAHN
C#CC(C)(C)NCCC(=O)Nc1cccc(F)c1	ZINC000888100910	583181945	/nfs/dbraw/zinc/18/19/45/583181945.db2.gz	ZLMQHRMLGKSEAS-UHFFFAOYSA-N	0	3	248.301	2.156	50	30		BEEAHN
N#Cc1cc(F)ccc1OCCN1CCCC1	ZINC000111037230	1166616640	/nfs/dbraw/zinc/61/66/40/1166616640.db2.gz	XQCOSTCTSLFTSV-UHFFFAOYSA-N	0	3	234.274	2.172	50	30		BEEAHN
Cc1cc(C#N)c(NC[C@@H]2CCCN2C)nc1C	ZINC000826767266	994514385	/nfs/dbraw/zinc/51/43/85/994514385.db2.gz	BFEVFLIEYVFXTM-ZDUSSCGKSA-N	0	3	244.342	2.076	50	30		BEEAHN
CN1CCC(=NOc2ccc([N+](=O)[O-])cc2)CC1	ZINC000000262182	342681649	/nfs/dbraw/zinc/68/16/49/342681649.db2.gz	VXZVTCWJAAIQDA-UHFFFAOYSA-N	0	3	249.270	2.055	50	30		BEEAHN
CCOc1ccc(NC2=NCCC2)cc1	ZINC000005465266	342764557	/nfs/dbraw/zinc/76/45/57/342764557.db2.gz	ZPXDWKUUZGZYGV-UHFFFAOYSA-N	0	3	204.273	2.499	50	30		BEEAHN
CCN(CC)Cc1c(N)c(C#N)c2ccccn21	ZINC000032603908	342854868	/nfs/dbraw/zinc/85/48/68/342854868.db2.gz	IVAOULUTXXENTP-UHFFFAOYSA-N	0	3	242.326	2.235	50	30		BEEAHN
CC(=O)OC1(C#CCN2CCCC2)CCCCC1	ZINC000005383202	343039960	/nfs/dbraw/zinc/03/99/60/343039960.db2.gz	IXVKVZGYQXBMQS-UHFFFAOYSA-N	0	3	249.354	2.352	50	30		BEEAHN
COc1ccc2[nH]c(C=O)c(/N=C/N(C)C)c2c1	ZINC000100978969	191063948	/nfs/dbraw/zinc/06/39/48/191063948.db2.gz	TXQJWUTXQSCYGV-RIYZIHGNSA-N	0	3	245.282	2.210	50	30		BEEAHN
N#CC(C(=O)C1CC1)c1ccccc1F	ZINC000049671537	181062928	/nfs/dbraw/zinc/06/29/28/181062928.db2.gz	MKMPWMYJSPIFAU-JTQLQIEISA-N	0	3	203.216	2.412	50	30		BEEAHN
N#Cc1cc(C(F)(F)F)cc2c1CCNC2	ZINC000044136852	181085131	/nfs/dbraw/zinc/08/51/31/181085131.db2.gz	CLFUZJHVOPEILW-UHFFFAOYSA-N	0	3	226.201	2.223	50	30		BEEAHN
C=CCc1c(C)nc(-c2ccccc2)nc1NN	ZINC000000244240	355893567	/nfs/dbraw/zinc/89/35/67/355893567.db2.gz	CMAOOHBCBYOSHV-UHFFFAOYSA-N	0	3	240.310	2.466	50	30		BEEAHN
N#CC(c1ccccn1)c1ccc(Cl)nn1	ZINC000000169585	383839380	/nfs/dbraw/zinc/83/93/80/383839380.db2.gz	QRUUQMRAWJZDCW-MRVPVSSYSA-N	0	3	230.658	2.180	50	30		BEEAHN
CC(/C=N/n1cnnc1)=C\c1ccccc1	ZINC000004676876	384067654	/nfs/dbraw/zinc/06/76/54/384067654.db2.gz	TUAGATMTKGEPHX-YQQAFNMCSA-N	0	3	212.256	2.216	50	30		BEEAHN
C=C(C)CN1CCC(c2cnn(C)c2)CC1	ZINC000097200455	384703881	/nfs/dbraw/zinc/70/38/81/384703881.db2.gz	FPUJXUVLUUWPNX-UHFFFAOYSA-N	0	3	219.332	2.176	50	30		BEEAHN
C=CCN[C@@H](c1cccnc1)C1CCOCC1	ZINC000239667224	384831030	/nfs/dbraw/zinc/83/10/30/384831030.db2.gz	BPNOFDLXROQJSN-CQSZACIVSA-N	0	3	232.327	2.325	50	30		BEEAHN
C=C(C)CN[C@H](C)c1cccc(CO)c1	ZINC000130793723	385059752	/nfs/dbraw/zinc/05/97/52/385059752.db2.gz	PERBRHAZTXHHKH-LLVKDONJSA-N	0	3	205.301	2.406	50	30		BEEAHN
C=CCc1ccc(OCCN(C)C)c(OC)c1	ZINC000004913175	387475313	/nfs/dbraw/zinc/47/53/13/387475313.db2.gz	LSSPAGDTFDIFNO-UHFFFAOYSA-N	0	3	235.327	2.364	50	30		BEEAHN
C#CCN(C[C@@H]1CCCO1)C1CCCC1	ZINC000075831406	388355839	/nfs/dbraw/zinc/35/58/39/388355839.db2.gz	NPDSALOHAANMKK-ZDUSSCGKSA-N	0	3	207.317	2.043	50	30		BEEAHN
C#CC(C)(C)NCCC(=O)C1=CCCC1	ZINC000019626607	166113136	/nfs/dbraw/zinc/11/31/36/166113136.db2.gz	SFPSMDSDLDLIEF-UHFFFAOYSA-N	0	3	205.301	2.057	50	30		BEEAHN
C#CC(C)(C)NCCC(=O)C1=CCCCC1	ZINC000019536749	166113743	/nfs/dbraw/zinc/11/37/43/166113743.db2.gz	PGXHRJFHUXTTCR-UHFFFAOYSA-N	0	3	219.328	2.447	50	30		BEEAHN
C=CCC[C@](C)(O)C#CCN(CC)CC	ZINC000002469384	166305018	/nfs/dbraw/zinc/30/50/18/166305018.db2.gz	SZAIQQIEAYFDEU-ZDUSSCGKSA-N	0	3	209.333	2.049	50	30		BEEAHN
C=CCN(C)Cc1ccc2c(c1)OCCO2	ZINC000061782844	166324521	/nfs/dbraw/zinc/32/45/21/166324521.db2.gz	KXRBILCBRZDOCH-UHFFFAOYSA-N	0	3	219.284	2.076	50	30		BEEAHN
C=CCN(Cc1ccccn1)C1CCOCC1	ZINC000065409370	166347444	/nfs/dbraw/zinc/34/74/44/166347444.db2.gz	IWAJGNWNKRCIFJ-UHFFFAOYSA-N	0	3	232.327	2.249	50	30		BEEAHN
CC1=C[C@H](C)[C@H](/C=N/n2cnnc2)[C@H](C)C1	ZINC000004166755	168131695	/nfs/dbraw/zinc/13/16/95/168131695.db2.gz	UAUNHPQNZAJKTA-XCVAIWLTSA-N	0	3	218.304	2.350	50	30		BEEAHN
C[C@@H]1CN(Cc2cccc(C#N)c2)[C@@H]1C	ZINC000292940288	176304899	/nfs/dbraw/zinc/30/48/99/176304899.db2.gz	HSBIDQSXWNRDAQ-GHMZBOCLSA-N	0	3	200.285	2.398	50	30		BEEAHN
C[C@H](O)[C@@H]1CCCCN1Cc1ccc(C#N)cc1	ZINC000069809617	177008496	/nfs/dbraw/zinc/00/84/96/177008496.db2.gz	GFSWFQKYQRKRQJ-WFASDCNBSA-N	0	3	244.338	2.294	50	30		BEEAHN
C[C@@H]1[C@@H](C)CN1Cc1cccc(C#N)c1	ZINC000292940293	177262876	/nfs/dbraw/zinc/26/28/76/177262876.db2.gz	HSBIDQSXWNRDAQ-WDEREUQCSA-N	0	3	200.285	2.398	50	30		BEEAHN
C#Cc1ccc(CN2C[C@H](O)CC[C@H]2C)cc1	ZINC000817415572	586802449	/nfs/dbraw/zinc/80/24/49/586802449.db2.gz	ZCGZXACHTKHQPG-IUODEOHRSA-N	0	3	229.323	2.013	50	30		BEEAHN
C#CCN(C)Cc1cc(C)c(O)c(C)c1	ZINC000952877395	974059333	/nfs/dbraw/zinc/05/93/33/974059333.db2.gz	PORUDRWSVLCGPV-UHFFFAOYSA-N	0	3	203.285	2.074	50	30		BEEAHN
C[C@@H](O)[C@H]1CCCCN1Cc1ccc(C#N)cc1	ZINC000069809621	398225075	/nfs/dbraw/zinc/22/50/75/398225075.db2.gz	GFSWFQKYQRKRQJ-IUODEOHRSA-N	0	3	244.338	2.294	50	30		BEEAHN
C=CCC[C@@H](O)CN1CCCC[C@@H]1c1cn[nH]c1	ZINC000128950537	136226783	/nfs/dbraw/zinc/22/67/83/136226783.db2.gz	XXZDASLPAMGTDW-ZIAGYGMSSA-N	0	3	249.358	2.264	50	30		BEEAHN
C=CCN1CCCN(c2ccc(C#N)cc2)CC1	ZINC000046085924	538993862	/nfs/dbraw/zinc/99/38/62/538993862.db2.gz	YHRBYJYZMLFFAQ-UHFFFAOYSA-N	0	3	241.338	2.256	50	30		BEEAHN
C[C@H](CO)N(CCCC#N)Cc1ccccc1	ZINC000076089542	344021894	/nfs/dbraw/zinc/02/18/94/344021894.db2.gz	XJHVJMDBBUCBKB-CYBMUJFWSA-N	0	3	232.327	2.173	50	30		BEEAHN
C=CCC[C@H](O)CN1CCCC[C@H]1c1cn[nH]c1	ZINC000247665070	344309618	/nfs/dbraw/zinc/30/96/18/344309618.db2.gz	XXZDASLPAMGTDW-KBPBESRZSA-N	0	3	249.358	2.264	50	30		BEEAHN
C#CCNC(C)(C)COCc1ccccc1	ZINC000253393568	345644936	/nfs/dbraw/zinc/64/49/36/345644936.db2.gz	LGLVDADATZHCRO-UHFFFAOYSA-N	0	3	217.312	2.205	50	30		BEEAHN
C=CCc1ccccc1OCCNCCOC	ZINC000003003255	350351538	/nfs/dbraw/zinc/35/15/38/350351538.db2.gz	DKFQHYUQROCTKP-UHFFFAOYSA-N	0	3	235.327	2.030	50	30		BEEAHN
C=CCN(CCO)Cc1ccc(C)s1	ZINC000093511893	166342109	/nfs/dbraw/zinc/34/21/09/166342109.db2.gz	RXFYOTKDVILRKQ-UHFFFAOYSA-N	0	3	211.330	2.037	50	30		BEEAHN
C=C(C)CN1CCC(c2ccnn2C)CC1	ZINC000065474781	188086386	/nfs/dbraw/zinc/08/63/86/188086386.db2.gz	WGCMKIOYHNDRAC-UHFFFAOYSA-N	0	3	219.332	2.176	50	30		BEEAHN
C=C(C)CN1CCCC[C@@H]1Cn1nc(C)nc1C	ZINC000069600929	188111227	/nfs/dbraw/zinc/11/12/27/188111227.db2.gz	QYALVAYSCIHVRM-CQSZACIVSA-N	0	3	248.374	2.326	50	30		BEEAHN
C=C(C)CN(C[C@H]1CCCO1)C[C@@H]1CCCO1	ZINC000047775006	188219262	/nfs/dbraw/zinc/21/92/62/188219262.db2.gz	VRGUYBHFEHRGRU-OKILXGFUSA-N	0	3	239.359	2.223	50	30		BEEAHN
C=C1N2CCC(CC2)[C@]1(O)c1ccccc1C	ZINC000000403700	188225594	/nfs/dbraw/zinc/22/55/94/188225594.db2.gz	PFKAJVHTQNHMGR-HNNXBMFYSA-N	0	3	229.323	2.422	50	30		BEEAHN
C=C(C)CN(C[C@@H]1CCCO1)C[C@@H]1CCCO1	ZINC000047775005	188577285	/nfs/dbraw/zinc/57/72/85/188577285.db2.gz	VRGUYBHFEHRGRU-KBPBESRZSA-N	0	3	239.359	2.223	50	30		BEEAHN
CC1(C)CC(=O)C=C(c2ccccc2)CN1	ZINC000075253293	356915801	/nfs/dbraw/zinc/91/58/01/356915801.db2.gz	UJUDXSDBOAUNJU-UHFFFAOYSA-N	0	3	215.296	2.411	50	30		BEEAHN
CC(=NC1=NN(c2ccccc2)CC1)N(C)C	ZINC000252624060	364269438	/nfs/dbraw/zinc/26/94/38/364269438.db2.gz	PFIBXIKDGFOOGQ-UHFFFAOYSA-N	0	3	230.315	2.190	50	30		BEEAHN
C=CCOCCN[C@@H](C)c1cccc(O)c1	ZINC000282120981	371440789	/nfs/dbraw/zinc/44/07/89/371440789.db2.gz	ATEHJBGGUXXTNM-NSHDSACASA-N	0	3	221.300	2.245	50	30		BEEAHN
C=CCOCCN[C@H](C)c1cccc(O)c1	ZINC000282120980	371441120	/nfs/dbraw/zinc/44/11/20/371441120.db2.gz	ATEHJBGGUXXTNM-LLVKDONJSA-N	0	3	221.300	2.245	50	30		BEEAHN
CC(C)(C)C(=N)NOC(=O)c1cccs1	ZINC000039932000	373062475	/nfs/dbraw/zinc/06/24/75/373062475.db2.gz	YIFZQQGJUBRHSM-UHFFFAOYSA-N	0	3	226.301	2.223	50	30		BEEAHN
C#C[C@H](N[C@@H](C)[C@H]1CCOC1)c1ccccc1	ZINC000383304067	374283707	/nfs/dbraw/zinc/28/37/07/374283707.db2.gz	MIWVTMBDOGMGSV-QEJZJMRPSA-N	0	3	229.323	2.376	50	30		BEEAHN
O=CC1CCN(Cc2cccs2)CC1	ZINC000012370794	384316982	/nfs/dbraw/zinc/31/69/82/384316982.db2.gz	OFWNPGKHQWPCKS-UHFFFAOYSA-N	0	3	209.314	2.159	50	30		BEEAHN
C=C(Cl)CN(CC)C[C@@H]1CCOC1	ZINC000052072307	385638931	/nfs/dbraw/zinc/63/89/31/385638931.db2.gz	ZYLIYHABYVZALL-JTQLQIEISA-N	0	3	203.713	2.097	50	30		BEEAHN
C#CCN1CCC(OCc2ccccc2)CC1	ZINC000069454217	388416522	/nfs/dbraw/zinc/41/65/22/388416522.db2.gz	WZRCQYPLSUKMIU-UHFFFAOYSA-N	0	3	229.323	2.301	50	30		BEEAHN
C=C(C)CN(CC)[C@H]1CCCN(C(C)C)C1=O	ZINC000095975883	388798307	/nfs/dbraw/zinc/79/83/07/388798307.db2.gz	XTTWAULNELCPKK-ZDUSSCGKSA-N	0	3	238.375	2.284	50	30		BEEAHN
CN(C)CCSCc1ccc(F)cc1C#N	ZINC000095441040	388770763	/nfs/dbraw/zinc/77/07/63/388770763.db2.gz	OTCOWQOLTZMISU-UHFFFAOYSA-N	0	3	238.331	2.492	50	30		BEEAHN
C=CCN(CC)Cc1ccc2c(c1)OCO2	ZINC000053132502	166325500	/nfs/dbraw/zinc/32/55/00/166325500.db2.gz	FJPCZOUVMYHTBB-UHFFFAOYSA-N	0	3	219.284	2.423	50	30		BEEAHN
C=C(C)CN(CC)Cc1cccc(C(N)=O)c1	ZINC000047466492	411121752	/nfs/dbraw/zinc/12/17/52/411121752.db2.gz	KGXBRNDQXKKVKL-UHFFFAOYSA-N	0	3	232.327	2.184	50	30		BEEAHN
C[C@@H]1CN(Cc2ccccc2)CCCN1CC#N	ZINC000077371674	176306165	/nfs/dbraw/zinc/30/61/65/176306165.db2.gz	IWTJNJZYNZMQQE-CQSZACIVSA-N	0	3	243.354	2.106	50	30		BEEAHN