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)(C)c1ccc(-c2cc3ccccc3[nH]2)cc1	ZINC000001519047	187409214	/nfs/dbraw/zinc/40/92/14/187409214.db2.gz	VGPCQAYZHNVEPD-UHFFFAOYSA-N	0	0	249.357	5.132	10	0		BKAERN
CCCCCC(O)(CCCCC)CCCCC	ZINC000001640824	342706806	/nfs/dbraw/zinc/70/68/06/342706806.db2.gz	CMJCZYGIOHQGMV-UHFFFAOYSA-N	0	0	242.447	5.458	10	0		BKAERN
c1csc(-c2csc(-c3cccs3)c2)c1	ZINC000001861834	560185171	/nfs/dbraw/zinc/18/51/71/560185171.db2.gz	DNAIRPZIPJONCV-UHFFFAOYSA-N	0	0	248.397	5.205	10	0	in-vitro	BKAERN
c1cc(-c2csc(-c3ccsc3)c2)cs1	ZINC000001861843	183329032	/nfs/dbraw/zinc/32/90/32/183329032.db2.gz	FMXXRLKHSAFAQY-UHFFFAOYSA-N	0	0	248.397	5.205	10	0	in-vitro	BKAERN
c1cc(-c2ccsc2-c2ccsc2)cs1	ZINC000001861846	183329488	/nfs/dbraw/zinc/32/94/88/183329488.db2.gz	NVKLSOLRWOMZLC-UHFFFAOYSA-N	0	0	248.397	5.205	10	0	in-vitro	BKAERN
c1csc(-c2ccsc2-c2ccsc2)c1	ZINC000001861847	560185127	/nfs/dbraw/zinc/18/51/27/560185127.db2.gz	VCVOIRBUZJKYOX-UHFFFAOYSA-N	0	0	248.397	5.205	10	0	in-vitro	BKAERN
c1cc(-c2cscc2-c2ccsc2)cs1	ZINC000001861848	183329323	/nfs/dbraw/zinc/32/93/23/183329323.db2.gz	GGJALWBSCQLFFP-UHFFFAOYSA-N	0	0	248.397	5.205	10	0		BKAERN
Clc1ccc2c3c(cccc31)-c1ccccc1-2	ZINC000002013217	350079482	/nfs/dbraw/zinc/07/94/82/350079482.db2.gz	VFQKSZWWOKBPFF-UHFFFAOYSA-N	0	0	236.701	5.141	10	0		BKAERN
CCC/C=C/C=C/CCCCCCCCCO	ZINC000002040077	168427007	/nfs/dbraw/zinc/42/70/07/168427007.db2.gz	CIVIWCVVOFNUST-YTXTXJHMSA-N	0	0	238.415	5.012	10	0	in-vivo	BKAERN
C/C=C(\C)CC/C=C(\C)CCC=C(C)C	ZINC000002047767	560186481	/nfs/dbraw/zinc/18/64/81/560186481.db2.gz	JXBSHSBNOVLGHF-BUJBXKITSA-N	0	0	206.373	5.426	10	0	in-vitro	BKAERN
CCCCCC[C@@H](CCCCC)c1ccccc1	ZINC000002173415	538109307	/nfs/dbraw/zinc/10/93/07/538109307.db2.gz	ZYHJQFMTTFCBKH-QGZVFWFLSA-N	0	0	246.438	6.321	10	0	in-vitro	BKAERN
CCCCCC[C@H](CCCCC)c1ccccc1	ZINC000002173417	538109295	/nfs/dbraw/zinc/10/92/95/538109295.db2.gz	ZYHJQFMTTFCBKH-KRWDZBQOSA-N	0	0	246.438	6.321	10	0	biogenic,in-vitro	BKAERN
CC(C)c1ccc(-c2ccccc2)cc1C(C)C	ZINC000002382615	356427567	/nfs/dbraw/zinc/42/75/67/356427567.db2.gz	CJRRATSCVQNFCC-UHFFFAOYSA-N	0	0	238.374	5.600	10	0		BKAERN
CC1(C)CC(c2ccccc2)CC(C)(C)C1	ZINC000002529298	348424145	/nfs/dbraw/zinc/42/41/45/348424145.db2.gz	IVVACGGASUPTBP-UHFFFAOYSA-N	0	0	216.368	5.007	10	0		BKAERN
CC(C)c1cccc2c1cccc2C(C)C	ZINC000002539607	342723596	/nfs/dbraw/zinc/72/35/96/342723596.db2.gz	GFZWCYSEPXDDRI-UHFFFAOYSA-N	0	0	212.336	5.087	10	0		BKAERN
Clc1c2ccccc2sc1-c1ccccc1	ZINC000002583697	342725668	/nfs/dbraw/zinc/72/56/68/342725668.db2.gz	CMJCKTXYMMDNCW-UHFFFAOYSA-N	0	0	244.746	5.222	10	0		BKAERN
Cc1ccc2c(CCCC(C)C)cccc2c1C	ZINC000002600039	342725950	/nfs/dbraw/zinc/72/59/50/342725950.db2.gz	ONPDQUOTURGQEH-UHFFFAOYSA-N	0	0	240.390	5.435	10	0		BKAERN
O=C1CCC/C=C/CCCCCCCCCC1	ZINC000005133742	344961488	/nfs/dbraw/zinc/96/14/88/344961488.db2.gz	ABRIMXGLNHCLIP-SOFGYWHQSA-N	0	0	236.399	5.197	10	0		BKAERN
CCCC[C@H](Nc1ccccc1)c1ccccc1	ZINC000005309761	169012925	/nfs/dbraw/zinc/01/29/25/169012925.db2.gz	KLFFLDWURSRQPQ-KRWDZBQOSA-N	0	0	239.362	5.030	10	0		BKAERN
c1ccc2c(c1)Oc1ccccc1-c1ccccc1-2	ZINC000005776006	342769688	/nfs/dbraw/zinc/76/96/88/342769688.db2.gz	XFDRVRQAVFFDCG-UHFFFAOYSA-N	0	0	244.293	5.126	10	0		BKAERN
CCC/C=C\C=C\CCCCCCCCCO	ZINC000005964866	188082215	/nfs/dbraw/zinc/08/22/15/188082215.db2.gz	CIVIWCVVOFNUST-SCFJQAPRSA-N	0	0	238.415	5.012	10	0	in-vitro	BKAERN
CC(C)=C1C/C=C(\C)CC/C=C(\C)CC1	ZINC000008234286	560207898	/nfs/dbraw/zinc/20/78/98/560207898.db2.gz	GXEGJTGWYVZSNR-SJRHNVSNSA-N	0	0	204.357	5.180	10	0	biogenic,in-vitro	BKAERN
CCC/C=C/C=C\CCCCCCCCCO	ZINC000015273980	386788810	/nfs/dbraw/zinc/78/88/10/386788810.db2.gz	CIVIWCVVOFNUST-DEQVHDEQSA-N	0	0	238.415	5.012	10	0	in-vivo	BKAERN
CC(C)(C)c1ccc(-c2ccc3[nH]ccc3c2)cc1	ZINC000016947789	342917841	/nfs/dbraw/zinc/91/78/41/342917841.db2.gz	FKWKURVBCKNBNU-UHFFFAOYSA-N	0	0	249.357	5.132	10	0		BKAERN
CCCCCCc1cc2ccccc2nc1Cl	ZINC000019721540	342954373	/nfs/dbraw/zinc/95/43/73/342954373.db2.gz	MZKGIXWICYUWAB-UHFFFAOYSA-N	0	0	247.769	5.011	10	0		BKAERN
CC(C)c1ccccc1N[C@@H](C)c1cccs1	ZINC000019907237	167640850	/nfs/dbraw/zinc/64/08/50/167640850.db2.gz	RVELNJPWGGMFRJ-LBPRGKRZSA-N	0	0	245.391	5.045	10	0		BKAERN
CC(C)CC[C@@H](C)Nc1ccc(C(C)C)cc1	ZINC000019982503	166893713	/nfs/dbraw/zinc/89/37/13/166893713.db2.gz	HLARXRGHOFNIHZ-CQSZACIVSA-N	0	0	233.399	5.047	10	0		BKAERN
CCCCc1ccc(NC(CCC)CCC)cc1	ZINC000019988492	169021575	/nfs/dbraw/zinc/02/15/75/169021575.db2.gz	YVJUVKSKGJJXBN-UHFFFAOYSA-N	0	0	247.426	5.410	10	0		BKAERN
CCCc1ccc(N[C@H](CC)C[C@@H](C)CC)cc1	ZINC000020012391	169572785	/nfs/dbraw/zinc/57/27/85/169572785.db2.gz	NETKWZFHCSZZND-GOEBONIOSA-N	0	0	247.426	5.266	10	0		BKAERN
CCCCCC[C@@H](C)Nc1ccccc1CC	ZINC000020520099	168674995	/nfs/dbraw/zinc/67/49/95/168674995.db2.gz	BAENFKZAPOFMQI-CQSZACIVSA-N	0	0	233.399	5.020	10	0		BKAERN
CCCCCc1ccc(N[C@H](C)CCC)cc1	ZINC000020566878	168748793	/nfs/dbraw/zinc/74/87/93/168748793.db2.gz	CXTYSCBARFWYNM-CQSZACIVSA-N	0	0	233.399	5.020	10	0		BKAERN
CCCCc1ccc(NCC2CCCCC2)cc1	ZINC000021018459	169022063	/nfs/dbraw/zinc/02/20/63/169022063.db2.gz	IDDAKPZTVGYTIT-UHFFFAOYSA-N	0	0	245.410	5.021	10	0		BKAERN
CCC(C)(C)C1CCC(Nc2ccccc2)CC1	ZINC000021501771	168270530	/nfs/dbraw/zinc/27/05/30/168270530.db2.gz	ATJDWOCCAACBTB-UHFFFAOYSA-N	0	0	245.410	5.094	10	0		BKAERN
CCCC(CCC)Nc1cccc2ccccc21	ZINC000021503522	168583867	/nfs/dbraw/zinc/58/38/67/168583867.db2.gz	YHACHDMDOJEHIE-UHFFFAOYSA-N	0	0	241.378	5.221	10	0		BKAERN
C[C@H](Nc1ccccc1)c1ccc2ccccc2c1	ZINC000021787735	176936409	/nfs/dbraw/zinc/93/64/09/176936409.db2.gz	QVLUYXIDTFCFQJ-AWEZNQCLSA-N	0	0	247.341	5.013	10	0		BKAERN
CCCCCc1ccc(NC[C@@H](C)CCC)cc1	ZINC000021807857	168748898	/nfs/dbraw/zinc/74/88/98/168748898.db2.gz	PQMDLANTZILBTI-HNNXBMFYSA-N	0	0	247.426	5.267	10	0		BKAERN
C[C@H](Nc1ccccc1)c1cccc2ccccc21	ZINC000021812908	176936643	/nfs/dbraw/zinc/93/66/43/176936643.db2.gz	DLMJJJXPBXGAOH-AWEZNQCLSA-N	0	0	247.341	5.013	10	0		BKAERN
Cc1cccc(C)c1Nc1cccc2ccccc21	ZINC000021997036	179044532	/nfs/dbraw/zinc/04/45/32/179044532.db2.gz	YRDPNMWCFDJPBP-UHFFFAOYSA-N	0	0	247.341	5.200	10	0		BKAERN
c1oc2ccc3ccccc3c2c1-c1ccccc1	ZINC000028568779	183381713	/nfs/dbraw/zinc/38/17/13/183381713.db2.gz	VTIPWSSYQWOADI-UHFFFAOYSA-N	0	0	244.293	5.253	10	0		BKAERN
CCC[C@@H](C)c1cccc([C@@H](C)CCC)c1O	ZINC000028767425	384646797	/nfs/dbraw/zinc/64/67/97/384646797.db2.gz	VZEZYUJNZGDCIH-BETUJISGSA-N	0	0	234.383	5.199	10	0		BKAERN
CCC[C@H](C)c1cccc([C@@H](C)CCC)c1O	ZINC000028767427	384648126	/nfs/dbraw/zinc/64/81/26/384648126.db2.gz	VZEZYUJNZGDCIH-STQMWFEESA-N	0	0	234.383	5.199	10	0		BKAERN
CCC[C@@H](C)c1cccc([C@H](C)CCC)c1O	ZINC000028767429	169374556	/nfs/dbraw/zinc/37/45/56/169374556.db2.gz	VZEZYUJNZGDCIH-CHWSQXEVSA-N	0	0	234.383	5.199	10	0		BKAERN
C[C@H]1CCCCCCCCCCCC[C@H](O)C1	ZINC000033605142	290804323	/nfs/dbraw/zinc/80/43/23/290804323.db2.gz	GVPGXFIINYYZAR-HOTGVXAUSA-N	0	0	240.431	5.068	10	0	biogenic,in-vitro	BKAERN
CC(C)CCC[C@@H](C)CCCC(=O)CC(C)C	ZINC000033607859	385254504	/nfs/dbraw/zinc/25/45/04/385254504.db2.gz	RRMNNKKAJPGDCK-OAHLLOKOSA-N	0	0	240.431	5.234	10	0		BKAERN
CC(C)CCC[C@H](C)CCCC(=O)CC(C)C	ZINC000033607860	385254269	/nfs/dbraw/zinc/25/42/69/385254269.db2.gz	RRMNNKKAJPGDCK-HNNXBMFYSA-N	0	0	240.431	5.234	10	0		BKAERN
CC(C)CCCCCCCCCCCCCO	ZINC000033820525	343261602	/nfs/dbraw/zinc/26/16/02/343261602.db2.gz	CFSSWEQYBLCBLH-UHFFFAOYSA-N	0	0	242.447	5.316	10	0	in-vitro	BKAERN
CC/C=C\C=C/CCCCCCCCCCO	ZINC000033841414	350247363	/nfs/dbraw/zinc/24/73/63/350247363.db2.gz	GKFQVSXEEVMHMA-OUPQRBNQSA-N	0	0	238.415	5.012	10	0	in-vitro	BKAERN
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCO	ZINC000034113678	345817212	/nfs/dbraw/zinc/81/72/12/345817212.db2.gz	ZQKQAFPFGCTROF-HZPDHXFCSA-N	0	0	242.447	5.028	10	0		BKAERN
CCCC[C@H](CC)Cn1c(C)cc2ccccc21	ZINC000034567493	168999454	/nfs/dbraw/zinc/99/94/54/168999454.db2.gz	XIPGWRQGSBCRLK-HNNXBMFYSA-N	0	0	243.394	5.166	10	0		BKAERN
CCCC[C@@H](CC)C(=O)c1ccc(C(C)C)cc1	ZINC000036819432	347826554	/nfs/dbraw/zinc/82/65/54/347826554.db2.gz	ZUNVXGMENHIDAS-CQSZACIVSA-N	0	0	246.394	5.209	10	0		BKAERN
CCCC[C@H](CC)C(=O)c1ccc(C(C)C)cc1	ZINC000036819433	347826399	/nfs/dbraw/zinc/82/63/99/347826399.db2.gz	ZUNVXGMENHIDAS-AWEZNQCLSA-N	0	0	246.394	5.209	10	0		BKAERN
CCCC[C@@H](CC)C(=O)c1c(C)cc(C)cc1C	ZINC000037354238	348353317	/nfs/dbraw/zinc/35/33/17/348353317.db2.gz	CODIMFMZRWMXAM-OAHLLOKOSA-N	0	0	246.394	5.011	10	0		BKAERN
CCCC[C@H](CC)C(=O)c1c(C)cc(C)cc1C	ZINC000037354240	348353346	/nfs/dbraw/zinc/35/33/46/348353346.db2.gz	CODIMFMZRWMXAM-HNNXBMFYSA-N	0	0	246.394	5.011	10	0		BKAERN
CCCC[C@@H](CC)C(=O)c1ccc(CCC)cc1	ZINC000037356994	348347045	/nfs/dbraw/zinc/34/70/45/348347045.db2.gz	UQKYQULSOKUIOO-OAHLLOKOSA-N	0	0	246.394	5.038	10	0		BKAERN
CCCC[C@H](CC)C(=O)c1ccc(CCC)cc1	ZINC000037356997	348346842	/nfs/dbraw/zinc/34/68/42/348346842.db2.gz	UQKYQULSOKUIOO-HNNXBMFYSA-N	0	0	246.394	5.038	10	0		BKAERN
CCCCn1c(-c2ccccc2)cc2ccccc21	ZINC000037627122	169032305	/nfs/dbraw/zinc/03/23/05/169032305.db2.gz	HDGQJGKUAGHVAI-UHFFFAOYSA-N	0	0	249.357	5.108	10	0		BKAERN
C/C1=C/CC/C(C)=C\CC(C)(C)/C=C\C1	ZINC000038139375	188116914	/nfs/dbraw/zinc/11/69/14/188116914.db2.gz	FAMPSKZZVDUYOS-KXWHQPPKSA-N	0	0	204.357	5.035	10	0	endogenous,in-man	BKAERN
c1c2ccccc2[nH]c1-c1cc2ccccc2s1	ZINC000038919365	347170704	/nfs/dbraw/zinc/17/07/04/347170704.db2.gz	VYROXESTDZNROK-UHFFFAOYSA-N	0	0	249.338	5.050	10	0		BKAERN
CC(C)=CCSc1ccccc1C(C)(C)C	ZINC000039020153	347174982	/nfs/dbraw/zinc/17/49/82/347174982.db2.gz	IBFLLDOVEQXYCV-UHFFFAOYSA-N	0	0	234.408	5.042	10	0		BKAERN
c1csc(CCCCCCc2ccccc2)c1	ZINC000039187809	347183555	/nfs/dbraw/zinc/18/35/55/347183555.db2.gz	DBCMJKYCUHXNRY-UHFFFAOYSA-N	0	0	244.403	5.094	10	0		BKAERN
c1c2ccc3ccccc3c2oc1-c1ccccc1	ZINC000039256876	183379917	/nfs/dbraw/zinc/37/99/17/183379917.db2.gz	QWCZUUROBYBSPP-UHFFFAOYSA-N	0	0	244.293	5.253	10	0		BKAERN
c1sc(-c2ccccc2)c2[nH]c3ccccc3c12	ZINC000039282034	368330202	/nfs/dbraw/zinc/33/02/02/368330202.db2.gz	JHALZCUIUALDTI-UHFFFAOYSA-N	0	0	249.338	5.050	10	0		BKAERN
CC(C)=CCC[C@@H](C)C1=CC=C(C)CC1	ZINC000059585953	560083128	/nfs/dbraw/zinc/08/31/28/560083128.db2.gz	NGIVKZGKEPRIGG-CQSZACIVSA-N	0	0	204.357	5.035	10	0	biogenic,in-vitro	BKAERN
CC(C)=CC/C=C(\C)[C@H]1CC=C(C)CC1	ZINC000059586019	560083122	/nfs/dbraw/zinc/08/31/22/560083122.db2.gz	YHBUQBJHSRGZNF-LULHVWEPSA-N	0	0	204.357	5.035	10	0	biogenic,in-vitro	BKAERN
C1CCCCCCCCCCCCCCC1	ZINC000059586821	188128407	/nfs/dbraw/zinc/12/84/07/188128407.db2.gz	JJWIOXUMXIOXQN-UHFFFAOYSA-N	0	0	224.432	6.242	10	0	biogenic,in-vitro	BKAERN
CC(C)=CC/C=C(/C)[C@H]1CC=C(C)CC1	ZINC000059588329	187783215	/nfs/dbraw/zinc/78/32/15/187783215.db2.gz	YHBUQBJHSRGZNF-GSHXUFRSSA-N	0	0	204.357	5.035	10	0	endogenous,in-man	BKAERN
CC(C)[C@@H]1CC[C@@H](C)/C=C\C[C@H](C)CC1	ZINC000059588807	560082591	/nfs/dbraw/zinc/08/25/91/560082591.db2.gz	IQSPYJZCWMAJLU-CYSUXKILSA-N	0	0	208.389	5.051	10	0	biogenic,in-vitro	BKAERN
Fc1ccc(/C=C\c2cccc3ccccc23)cc1	ZINC000059592664	640818360	/nfs/dbraw/zinc/81/83/60/640818360.db2.gz	DANJUFMMKKUECI-FLIBITNWSA-N	0	0	248.300	5.149	10	0		BKAERN
C/C=C(C(=C\C)/c1ccccc1)\c1ccccc1	ZINC000059593647	640817607	/nfs/dbraw/zinc/81/76/07/640817607.db2.gz	VTUNKULRSRAFHV-CCHMCBCZSA-N	0	0	234.342	5.193	10	0		BKAERN
Cc1ccc(O)c(C2CC(C)(C)CC(C)(C)C2)c1	ZINC000059755763	347229830	/nfs/dbraw/zinc/22/98/30/347229830.db2.gz	DXBQPGXXKNBTEX-UHFFFAOYSA-N	0	0	246.394	5.021	10	0		BKAERN
CC(C)=CC/C=C(/C)[C@@H]1CC=C(C)CC1	ZINC000059778317	188302199	/nfs/dbraw/zinc/30/21/99/188302199.db2.gz	YHBUQBJHSRGZNF-XIEDVDOYSA-N	0	0	204.357	5.035	10	0	endogenous,in-man	BKAERN
CC(C)c1ccc2c(c1)Nc1ccccc1S2	ZINC000059804953	368335049	/nfs/dbraw/zinc/33/50/49/368335049.db2.gz	OAKCEDKLIMNTDW-UHFFFAOYSA-N	0	0	241.359	5.018	10	0		BKAERN
C/C1=C\CC(C)(C)/C=C\C/C(C)=C\CC1	ZINC000062234568	187956837	/nfs/dbraw/zinc/95/68/37/187956837.db2.gz	FAMPSKZZVDUYOS-HYXCZMNISA-N	0	0	204.357	5.035	10	0	in-vitro	BKAERN
C/C1=C/CC/C(C)=C\CC(C)(C)/C=C/C1	ZINC000062234571	290802577	/nfs/dbraw/zinc/80/25/77/290802577.db2.gz	FAMPSKZZVDUYOS-PGPZXUPKSA-N	0	0	204.357	5.035	10	0	biogenic,in-vitro	BKAERN
C[C@@]12CCC[C@H]1[C@@H]1CC[C@@H]3CCCC[C@@H]3[C@H]1CC2	ZINC000064622581	349774402	/nfs/dbraw/zinc/77/44/02/349774402.db2.gz	GRXPVLPQNMUNNX-ARAZSQDJSA-N	0	0	246.438	5.419	10	0	in-vitro	BKAERN
CCCCC[C@@H](CCC)CC(=O)c1ccccc1	ZINC000071615108	368337463	/nfs/dbraw/zinc/33/74/63/368337463.db2.gz	LBTIXAMZNGEYQV-OAHLLOKOSA-N	0	0	246.394	5.256	10	0		BKAERN
CCCCC[C@H](CCC)CC(=O)c1ccccc1	ZINC000071615111	368337532	/nfs/dbraw/zinc/33/75/32/368337532.db2.gz	LBTIXAMZNGEYQV-HNNXBMFYSA-N	0	0	246.394	5.256	10	0		BKAERN
CC1CCCC(C)CCCC(C)CCC1	ZINC000071790001	168169802	/nfs/dbraw/zinc/16/98/02/168169802.db2.gz	FGQAYKXUIXYFJJ-UHFFFAOYSA-N	0	0	210.405	5.419	10	0		BKAERN
Clc1cccc(C2CCCCC2)c1Cl	ZINC000075841220	398046399	/nfs/dbraw/zinc/04/63/99/398046399.db2.gz	HNBHQJKIADDNFP-UHFFFAOYSA-N	0	0	229.150	5.041	10	0		BKAERN
C/C1=C/CC/C(C)=C\CC/C(C)=C\CC1	ZINC000083329455	187796557	/nfs/dbraw/zinc/79/65/57/187796557.db2.gz	XOTMHDVYZZBKEJ-PEFAHGPYSA-N	0	0	204.357	5.180	10	0		BKAERN
CCCCCC(CCCCC)c1ccccc1	ZINC000085531509	560073242	/nfs/dbraw/zinc/07/32/42/560073242.db2.gz	WCABIRIFXVXGQH-UHFFFAOYSA-N	0	0	232.411	5.931	10	0	biogenic,in-vitro	BKAERN
C=C/C=C(\C)CC/C=C(/C)CCC=C(C)C	ZINC000085599280	187608439	/nfs/dbraw/zinc/60/84/39/187608439.db2.gz	CWLVBFJCJXHUCF-ZAYWLTRMSA-N	0	0	218.384	5.592	10	0	endogenous,in-man	BKAERN
C=C/C=C(\C)CC/C=C(\C)CCC=C(C)C	ZINC000085599283	187269939	/nfs/dbraw/zinc/26/99/39/187269939.db2.gz	CWLVBFJCJXHUCF-RNPYNJAESA-N	0	0	218.384	5.592	10	0	in-vitro	BKAERN
C/C1=C\CC/C(C)=C\CC(C)(C)/C=C\C1	ZINC000085644698	560067335	/nfs/dbraw/zinc/06/73/35/560067335.db2.gz	FAMPSKZZVDUYOS-QLKCAEEVSA-N	0	0	204.357	5.035	10	0	biogenic,in-vitro	BKAERN
C=C(c1cccs1)c1cccc2sccc21	ZINC000089195277	191020558	/nfs/dbraw/zinc/02/05/58/191020558.db2.gz	RQEKTVWURWJLID-UHFFFAOYSA-N	0	0	242.368	5.024	10	0		BKAERN
CC1=CC(C)=C(c2ccc(-c3ccccc3)o2)C1	ZINC000090373729	168093243	/nfs/dbraw/zinc/09/32/43/168093243.db2.gz	ZFJJRLRXEFEULF-UHFFFAOYSA-N	0	0	236.314	5.070	10	0		BKAERN
C[C@@H]1Cc2ccccc2-c2ccc3ccccc3c21	ZINC000090377123	368978180	/nfs/dbraw/zinc/97/81/80/368978180.db2.gz	RSBMMLVFCYJUGT-CYBMUJFWSA-N	0	0	244.337	5.166	10	0		BKAERN
C[C@H]1Cc2ccccc2-c2ccc3ccccc3c21	ZINC000090377125	368978392	/nfs/dbraw/zinc/97/83/92/368978392.db2.gz	RSBMMLVFCYJUGT-ZDUSSCGKSA-N	0	0	244.337	5.166	10	0		BKAERN
CCCCc1ccc2c(c1)C(C)(C)CCC2(C)C	ZINC000090428994	368980968	/nfs/dbraw/zinc/98/09/68/368980968.db2.gz	WMCVWCDGMXHHSJ-UHFFFAOYSA-N	0	0	244.422	5.378	10	0		BKAERN
C1=C/CCCCCC/C=C\CCCCCC/1	ZINC000090755005	188144825	/nfs/dbraw/zinc/14/48/25/188144825.db2.gz	QCSDLMPAQMQZOE-HPAOOREBSA-N	0	0	220.400	5.794	10	0		BKAERN
C1=C/CCCCCC/C=C/CCCCCC/1	ZINC000090755006	188144178	/nfs/dbraw/zinc/14/41/78/188144178.db2.gz	QCSDLMPAQMQZOE-FMGPEAFSSA-N	0	0	220.400	5.794	10	0		BKAERN
Cc1ccc2oc(-c3cccc(Cl)c3)cc2c1	ZINC000091301804	384114788	/nfs/dbraw/zinc/11/47/88/384114788.db2.gz	HGACMAAAAZLJMR-UHFFFAOYSA-N	0	0	242.705	5.062	10	0		BKAERN
C1=C\CCCCCCCCCCCCC/1	ZINC000095884192	188321754	/nfs/dbraw/zinc/32/17/54/188321754.db2.gz	BKUVLGADJFPJRI-UPHRSURJSA-N	0	0	208.389	5.628	10	0		BKAERN
c1ccc(CCCc2ccc3ccccc3c2)cc1	ZINC000095931573	183391327	/nfs/dbraw/zinc/39/13/27/183391327.db2.gz	YSJHTTWSQFJXDV-UHFFFAOYSA-N	0	0	246.353	5.015	10	0		BKAERN
CC/C=C\c1c(C)cc(C(C)(C)C)cc1C	ZINC000095932868	384412342	/nfs/dbraw/zinc/41/23/42/384412342.db2.gz	LPPVAHYFPIQTCM-HJWRWDBZSA-N	0	0	216.368	5.024	10	0		BKAERN
CC/C=C/c1c(C)cc(C(C)(C)C)cc1C	ZINC000095932869	167857767	/nfs/dbraw/zinc/85/77/67/167857767.db2.gz	LPPVAHYFPIQTCM-CMDGGOBGSA-N	0	0	216.368	5.024	10	0		BKAERN
CCCC[C@@H](C)[C@@H]1CCCc2cc(C)c(C)cc21	ZINC000095933167	344358279	/nfs/dbraw/zinc/35/82/79/344358279.db2.gz	CWPGVPMJBADTES-DYVFJYSZSA-N	0	0	244.422	5.550	10	0		BKAERN
CCCC[C@H](C)[C@@H]1CCCc2cc(C)c(C)cc21	ZINC000095933168	344357993	/nfs/dbraw/zinc/35/79/93/344357993.db2.gz	CWPGVPMJBADTES-GUYCJALGSA-N	0	0	244.422	5.550	10	0		BKAERN
CCCC[C@@H](C)[C@H]1CCCc2cc(C)c(C)cc21	ZINC000095933169	344358301	/nfs/dbraw/zinc/35/83/01/344358301.db2.gz	CWPGVPMJBADTES-CXAGYDPISA-N	0	0	244.422	5.550	10	0		BKAERN
CCCC[C@H](C)[C@H]1CCCc2cc(C)c(C)cc21	ZINC000095933170	344358023	/nfs/dbraw/zinc/35/80/23/344358023.db2.gz	CWPGVPMJBADTES-SUMWQHHRSA-N	0	0	244.422	5.550	10	0		BKAERN
c1ccc(C2CCC(c3ccccc3)CC2)cc1	ZINC000095934451	183390431	/nfs/dbraw/zinc/39/04/31/183390431.db2.gz	VULCFZQVCFIKNK-UHFFFAOYSA-N	0	0	236.358	5.128	10	0		BKAERN
CC=CC1=CC2=CC=CC=CC(=CC(=CC)C1)C2	ZINC000096833186	343905950	/nfs/dbraw/zinc/90/59/50/343905950.db2.gz	SPDOWOQEHDUIFR-MHFVZUKNSA-N	0	0	235.350	5.022	10	0		BKAERN
C1=C/CCCCCCCCCCCCC/1	ZINC000098090802	188149289	/nfs/dbraw/zinc/14/92/89/188149289.db2.gz	BKUVLGADJFPJRI-OWOJBTEDSA-N	0	0	208.389	5.628	10	0		BKAERN
CCCCCc1ccccc1CCCCC	ZINC000098090859	168748509	/nfs/dbraw/zinc/74/85/09/168748509.db2.gz	FQYVVSNFPLKMNU-UHFFFAOYSA-N	0	0	218.384	5.152	10	0		BKAERN
C(/C=C/C1CCCCC1)=C\C1CCCCC1	ZINC000098177364	346780374	/nfs/dbraw/zinc/78/03/74/346780374.db2.gz	DTLIKFCSCOGIHL-FNCQTZNRSA-N	0	0	218.384	5.259	10	0		BKAERN
CC1=C(c2cc3ccccc3s2)CCCC1	ZINC000098178540	168088590	/nfs/dbraw/zinc/08/85/90/168088590.db2.gz	RWOVKALEODAKCD-UHFFFAOYSA-N	0	0	228.360	5.249	10	0		BKAERN
C[C@H](c1csc2ccccc21)c1ccccc1	ZINC000098178541	176024251	/nfs/dbraw/zinc/02/42/51/176024251.db2.gz	JASZWJZMLKUIQF-LBPRGKRZSA-N	0	0	238.355	5.053	10	0		BKAERN
C[C@@H](c1csc2ccccc21)c1ccccc1	ZINC000098178542	187290665	/nfs/dbraw/zinc/29/06/65/187290665.db2.gz	JASZWJZMLKUIQF-GFCCVEGCSA-N	0	0	238.355	5.053	10	0		BKAERN
C=Cc1ccc(C2CCCCC2)c(Cl)c1	ZINC000098178753	191061483	/nfs/dbraw/zinc/06/14/83/191061483.db2.gz	GUSAIMQTAZHRGF-UHFFFAOYSA-N	0	0	220.743	5.031	10	0		BKAERN
CCc1cccc(Nc2cccc3ccccc32)c1	ZINC000098179453	384599843	/nfs/dbraw/zinc/59/98/43/384599843.db2.gz	YVRBHDHXFZAXSB-UHFFFAOYSA-N	0	0	247.341	5.146	10	0		BKAERN
Cc1ccc(Nc2cccc3ccccc32)c(C)c1	ZINC000098179454	384601448	/nfs/dbraw/zinc/60/14/48/384601448.db2.gz	LYXVRCIYSLQNOA-UHFFFAOYSA-N	0	0	247.341	5.200	10	0		BKAERN
C=C(c1ccc(C)cc1)c1cccc2ccccc21	ZINC000100034588	386826086	/nfs/dbraw/zinc/82/60/86/386826086.db2.gz	OTNXJMSAGCCGPQ-UHFFFAOYSA-N	0	0	244.337	5.210	10	0		BKAERN
C/C1=C(\C)[C@@H](C)C/C=C\CC/C=C\CC1	ZINC000100453486	384641413	/nfs/dbraw/zinc/64/14/13/384641413.db2.gz	FWASXIQNCSBDAF-WZIBZKCLSA-N	0	0	204.357	5.035	10	0		BKAERN
C/C1=C(\C)[C@H](C)C/C=C\CC/C=C\CC1	ZINC000100453490	384641635	/nfs/dbraw/zinc/64/16/35/384641635.db2.gz	FWASXIQNCSBDAF-AQQXMNIHSA-N	0	0	204.357	5.035	10	0		BKAERN
Fc1cccc(-c2cccc(-c3ccccc3)c2)c1	ZINC000100975602	587737500	/nfs/dbraw/zinc/73/75/00/587737500.db2.gz	BINHAPRMGGPEDN-UHFFFAOYSA-N	0	0	248.300	5.160	10	0		BKAERN
CCCC1CCC(C2CCC(CC)CC2)CC1	ZINC000101486469	368340581	/nfs/dbraw/zinc/34/05/81/368340581.db2.gz	KORMYSCDCHFFMN-UHFFFAOYSA-N	0	0	236.443	5.809	10	0		BKAERN
CCc1cccc(C)c1N[C@@H](CC)C[C@@H](C)CC	ZINC000103967914	171854690	/nfs/dbraw/zinc/85/46/90/171854690.db2.gz	JBAXWWBXLPPTET-BBRMVZONSA-N	0	0	247.426	5.184	10	0		BKAERN
CCc1cccc(C)c1N[C@H](CC)C[C@@H](C)CC	ZINC000103967919	171854289	/nfs/dbraw/zinc/85/42/89/171854289.db2.gz	JBAXWWBXLPPTET-XJKSGUPXSA-N	0	0	247.426	5.184	10	0		BKAERN
CCc1cccc(C)c1N[C@H](CC)C[C@H](C)CC	ZINC000103967928	171854539	/nfs/dbraw/zinc/85/45/39/171854539.db2.gz	JBAXWWBXLPPTET-CZUORRHYSA-N	0	0	247.426	5.184	10	0		BKAERN
CCCC[C@@H](CC)CNc1ccc(CCC)cc1	ZINC000104000513	168959558	/nfs/dbraw/zinc/95/95/58/168959558.db2.gz	XQHPQERSORWYFB-OAHLLOKOSA-N	0	0	247.426	5.267	10	0		BKAERN
CCCC[C@H](O)c1ccc(C(C)C)cc1C(C)C	ZINC000104035498	169012772	/nfs/dbraw/zinc/01/27/72/169012772.db2.gz	LFRJVVCDCXDEPL-KRWDZBQOSA-N	0	0	248.410	5.157	10	0		BKAERN
CC[C@H](C)[C@@H](O)c1ccc(C(C)C)cc1C(C)C	ZINC000104035527	171378134	/nfs/dbraw/zinc/37/81/34/171378134.db2.gz	PDVBZMJURJKGHY-SUMWQHHRSA-N	0	0	248.410	5.013	10	0		BKAERN
C(/C=C/C1CCCCC1)=C1CCCCC1	ZINC000104841380	166226341	/nfs/dbraw/zinc/22/63/41/166226341.db2.gz	NACWLAIPDJYIFE-KPKJPENVSA-N	0	0	204.357	5.013	10	0		BKAERN
Cc1ccc(/C=C/C=C\c2ccc(C)cc2)cc1	ZINC000106476180	178357123	/nfs/dbraw/zinc/35/71/23/178357123.db2.gz	KGLYHHCCIBZMLN-CIIODKQPSA-N	0	0	234.342	5.030	10	0		BKAERN
c1ccc(-c2ccc3ccccc3p2)cc1	ZINC000111341182	183379168	/nfs/dbraw/zinc/37/91/68/183379168.db2.gz	CCHDKJHAJDPLPN-UHFFFAOYSA-N	0	0	222.227	5.087	10	0		BKAERN
CCCCc1cc(CCCC)cc(CCCC)c1	ZINC000111350695	345752492	/nfs/dbraw/zinc/75/24/92/345752492.db2.gz	AVYPEYYPGYMFDO-UHFFFAOYSA-N	0	0	246.438	5.714	10	0		BKAERN
CC(C)c1ccccc1-c1ccccc1C(C)C	ZINC000111872418	383883071	/nfs/dbraw/zinc/88/30/71/383883071.db2.gz	MZVCUTVPCIOAJD-UHFFFAOYSA-N	0	0	238.374	5.600	10	0		BKAERN
Cc1cc(C)cc(-c2ccc3ccccc3c2)c1	ZINC000114685919	368947328	/nfs/dbraw/zinc/94/73/28/368947328.db2.gz	DFBHAHAFLSYACR-UHFFFAOYSA-N	0	0	232.326	5.124	10	0		BKAERN
CCCCCC(C)(C)Sc1ccccc1	ZINC000116220837	384486016	/nfs/dbraw/zinc/48/60/16/384486016.db2.gz	ULXYBSXYYLESRG-UHFFFAOYSA-N	0	0	222.397	5.138	10	0		BKAERN
C=C(c1cccc(Cl)c1)c1cccc(Cl)c1	ZINC000117133712	344740434	/nfs/dbraw/zinc/74/04/34/344740434.db2.gz	BIYSLOKKYOGFLX-UHFFFAOYSA-N	0	0	249.140	5.055	10	0		BKAERN
CCCCCCCCCCc1ccc(C=O)cc1	ZINC000117396425	343120864	/nfs/dbraw/zinc/12/08/64/343120864.db2.gz	LAFJBWCWIUMKJU-UHFFFAOYSA-N	0	0	246.394	5.182	10	0		BKAERN
CC1=C(c2ccccc2)CC(c2ccccc2)=C1C	ZINC000135822918	368344613	/nfs/dbraw/zinc/34/46/13/368344613.db2.gz	IAFLAEZJADSSFK-UHFFFAOYSA-N	0	0	246.353	5.338	10	0		BKAERN
Clc1cccc(Cl)c1/C=C/c1ccccc1	ZINC000136263130	345810050	/nfs/dbraw/zinc/81/00/50/345810050.db2.gz	HGNGXPWZHMAADJ-MDZDMXLPSA-N	0	0	249.140	5.164	10	0		BKAERN
C=Cc1c2ccccc2c(Cl)c2ccccc12	ZINC000137165734	345837190	/nfs/dbraw/zinc/83/71/90/345837190.db2.gz	IDRXZAFXOKLLGK-UHFFFAOYSA-N	0	0	238.717	5.289	10	0		BKAERN
CC(C)(C)c1ccc(-c2cccc(Cl)c2)cc1	ZINC000137848140	345849083	/nfs/dbraw/zinc/84/90/83/345849083.db2.gz	AVZXUUJPZZVRGL-UHFFFAOYSA-N	0	0	244.765	5.305	10	0		BKAERN
CC(C)=CCC[C@@H](C)[C@@H](C)[C@]1(C)C=CCCC1	ZINC000138132675	342782588	/nfs/dbraw/zinc/78/25/88/342782588.db2.gz	JFQISXPORUEFOR-BRWVUGGUSA-N	0	0	234.427	5.751	10	0		BKAERN
CCCCCCC[C@@H](C#N)c1ccccc1Cl	ZINC000138249351	342804797	/nfs/dbraw/zinc/80/47/97/342804797.db2.gz	XWQKFGNRKZQHCD-ZDUSSCGKSA-N	0	0	249.785	5.308	10	0		BKAERN
CCCCCCC[C@H](C#N)c1ccccc1Cl	ZINC000138249450	342804900	/nfs/dbraw/zinc/80/49/00/342804900.db2.gz	XWQKFGNRKZQHCD-CYBMUJFWSA-N	0	0	249.785	5.308	10	0		BKAERN
Fc1ccc(-c2cccc(-c3ccccc3)c2)cc1	ZINC000138885338	592318607	/nfs/dbraw/zinc/31/86/07/592318607.db2.gz	MRZPEGXQSMZWLT-UHFFFAOYSA-N	0	0	248.300	5.160	10	0		BKAERN
CCCC/C=C/c1c(Cl)cccc1Cl	ZINC000141056709	345859042	/nfs/dbraw/zinc/85/90/42/345859042.db2.gz	SFNMUSXQNVVSQF-FNORWQNLSA-N	0	0	229.150	5.197	10	0		BKAERN
CCCC/C=C/c1ccc(Cl)cc1Cl	ZINC000141535939	490614427	/nfs/dbraw/zinc/61/44/27/490614427.db2.gz	BMRKPMHGQDHJBI-AATRIKPKSA-N	0	0	229.150	5.197	10	0		BKAERN
Cc1ccc([C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1	ZINC000142264425	368348200	/nfs/dbraw/zinc/34/82/00/368348200.db2.gz	DZLTXIHQMZWVGT-UAGQMJEPSA-N	0	0	230.395	5.171	10	0		BKAERN
CCCCCc1ccc(C(=O)CC(C)(C)C)cc1	ZINC000143112242	374136200	/nfs/dbraw/zinc/13/62/00/374136200.db2.gz	PZXPYPLTIDSNPH-UHFFFAOYSA-N	0	0	246.394	5.038	10	0		BKAERN
CC(C)c1cc(C(C)C)c(Cl)cc1Cl	ZINC000144018330	343129589	/nfs/dbraw/zinc/12/95/89/343129589.db2.gz	IUMKVNYNGVFSSW-UHFFFAOYSA-N	0	0	231.166	5.240	10	0		BKAERN
CCCCCC1(CCCCC)CCC(=O)CC1	ZINC000144147903	342702172	/nfs/dbraw/zinc/70/21/72/342702172.db2.gz	JHIJRMMQYNIGSX-UHFFFAOYSA-N	0	0	238.415	5.277	10	0		BKAERN
Cc1ccc([C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1	ZINC000146271301	368349249	/nfs/dbraw/zinc/34/92/49/368349249.db2.gz	DZLTXIHQMZWVGT-XIRDDKMYSA-N	0	0	230.395	5.171	10	0		BKAERN
CCCCCCc1ccc(C(=O)C(C)(C)C)cc1	ZINC000149045172	346530385	/nfs/dbraw/zinc/53/03/85/346530385.db2.gz	UQZRPNAFGSBFOV-UHFFFAOYSA-N	0	0	246.394	5.038	10	0		BKAERN
Oc1ccc2c(c1)scc2C1CCCCCC1	ZINC000149683730	342793970	/nfs/dbraw/zinc/79/39/70/342793970.db2.gz	WPWGWSRXZHUZGS-UHFFFAOYSA-N	0	0	246.375	5.045	10	0		BKAERN
CCCC[C@@H](CC)C(=O)c1cc(C)c(C)cc1C	ZINC000166165952	344755106	/nfs/dbraw/zinc/75/51/06/344755106.db2.gz	RYVLUQHMWFPADZ-OAHLLOKOSA-N	0	0	246.394	5.011	10	0		BKAERN
CCCC(CCC)C(=O)c1cc(C)c(C)cc1C	ZINC000166174959	346667123	/nfs/dbraw/zinc/66/71/23/346667123.db2.gz	YGLJYEFTRNWRLG-UHFFFAOYSA-N	0	0	246.394	5.011	10	0		BKAERN
CC(/C=C/c1ccccc1)=C/C=C\c1ccccc1	ZINC000167206102	632131798	/nfs/dbraw/zinc/13/17/98/632131798.db2.gz	OLHACTBVVHIAAA-XFHYYGDYSA-N	0	0	246.353	5.360	10	0		BKAERN
c1c2ccccc2sc1C1=CCCCCC1	ZINC000196692873	347991136	/nfs/dbraw/zinc/99/11/36/347991136.db2.gz	IOHNQAZROSWRPA-UHFFFAOYSA-N	0	0	228.360	5.249	10	0		BKAERN
C/C=C/CCc1ccc(-c2ccc(C)cc2)cc1	ZINC000196973946	343638458	/nfs/dbraw/zinc/63/84/58/343638458.db2.gz	JELHTKZXMLTKAO-ONEGZZNKSA-N	0	0	236.358	5.171	10	0		BKAERN
C/C(=C\c1ccccc1Cl)c1ccc(F)cc1	ZINC000199808359	368354269	/nfs/dbraw/zinc/35/42/69/368354269.db2.gz	SNWPPLWSMNZHNG-ZHACJKMWSA-N	0	0	246.712	5.040	10	0		BKAERN
CC1(C)c2ccccc2-c2c1ccc1ccccc21	ZINC000201683797	385456421	/nfs/dbraw/zinc/45/64/21/385456421.db2.gz	SJVOYVUTRSZMKW-UHFFFAOYSA-N	0	0	244.337	5.146	10	0		BKAERN
CC(C)(C)Cc1cc(C2CCCCC2)ccc1O	ZINC000204219068	343561175	/nfs/dbraw/zinc/56/11/75/343561175.db2.gz	RAQSCFYOMSICGJ-UHFFFAOYSA-N	0	0	246.394	5.029	10	0		BKAERN
CCCCCCc1ccc(C(=O)CC(C)C)cc1	ZINC000225543457	371555389	/nfs/dbraw/zinc/55/53/89/371555389.db2.gz	LJGGXUWRUPAZTK-UHFFFAOYSA-N	0	0	246.394	5.038	10	0		BKAERN
CCCCCC(=O)[C@@H](CCCC)c1ccccc1	ZINC000225677561	368367927	/nfs/dbraw/zinc/36/79/27/368367927.db2.gz	OZIAUHCKYOCKFO-INIZCTEOSA-N	0	0	246.394	5.110	10	0		BKAERN
CCCCCC(=O)[C@H](CCCC)c1ccccc1	ZINC000225677576	368368114	/nfs/dbraw/zinc/36/81/14/368368114.db2.gz	OZIAUHCKYOCKFO-MRXNPFEDSA-N	0	0	246.394	5.110	10	0		BKAERN
CCCCC[C@H]1CC[C@H](c2ccccc2)CC1	ZINC000245204614	369070515	/nfs/dbraw/zinc/07/05/15/369070515.db2.gz	FCAWXWGFZYRQJZ-JCNLHEQBSA-N	0	0	230.395	5.541	10	0		BKAERN
CCC[C@H]1CC[C@H](/C=C/C2CCCCC2)CC1	ZINC000263584356	388598579	/nfs/dbraw/zinc/59/85/79/388598579.db2.gz	QRNGQGDEQAQBLU-LPXVOXBASA-N	0	0	234.427	5.729	10	0		BKAERN
CCCC(CCC)C(=O)c1ccccc1C(C)C	ZINC000310805979	384317064	/nfs/dbraw/zinc/31/70/64/384317064.db2.gz	FLCXRJRHHCIMAE-UHFFFAOYSA-N	0	0	246.394	5.209	10	0		BKAERN
CCCC[C@H](CC)C(=O)c1ccccc1C(C)C	ZINC000381373983	361382909	/nfs/dbraw/zinc/38/29/09/361382909.db2.gz	QNVKEXYHVFKXJK-AWEZNQCLSA-N	0	0	246.394	5.209	10	0		BKAERN
CCCC[C@@H](CC)C(=O)c1ccccc1C(C)C	ZINC000381374379	361383021	/nfs/dbraw/zinc/38/30/21/361383021.db2.gz	QNVKEXYHVFKXJK-CQSZACIVSA-N	0	0	246.394	5.209	10	0		BKAERN
CCC1=CCC=C1C(C)(C)C1=CC=CC1CC	ZINC000503990582	529445421	/nfs/dbraw/zinc/44/54/21/529445421.db2.gz	DUPCBIGQOMNAGV-UHFFFAOYSA-N	0	0	227.371	5.160	10	0		BKAERN
CCCCc1ccc2ccc(CCCC)cc2c1	ZINC000504261839	529028187	/nfs/dbraw/zinc/02/81/87/529028187.db2.gz	CLWNISWJJZFJCQ-UHFFFAOYSA-N	0	0	240.390	5.525	10	0		BKAERN
CCCOc1c(C(C)(C)C)cccc1C(C)(C)C	ZINC000575154589	346438625	/nfs/dbraw/zinc/43/86/25/346438625.db2.gz	BHPSAGVSWDKACA-UHFFFAOYSA-N	0	0	247.402	5.059	10	0		BKAERN
CC(C)Oc1ccc(C(C)(C)C)cc1C(C)(C)C	ZINC000575154703	346437046	/nfs/dbraw/zinc/43/70/46/346437046.db2.gz	FSNSJLPFLFRYOT-UHFFFAOYSA-N	0	0	247.402	5.057	10	0		BKAERN
CC(C)Oc1c(C(C)(C)C)cccc1C(C)(C)C	ZINC000575154830	346436761	/nfs/dbraw/zinc/43/67/61/346436761.db2.gz	LQJOONCIICBAGS-UHFFFAOYSA-N	0	0	247.402	5.057	10	0		BKAERN
CCCOc1ccc(C(C)(C)C)cc1C(C)(C)C	ZINC000575155046	346437269	/nfs/dbraw/zinc/43/72/69/346437269.db2.gz	ZZMPFPABDPKBRE-UHFFFAOYSA-N	0	0	247.402	5.059	10	0		BKAERN
CCCCCCc1ccc(C(=O)[C@@H](C)CC)cc1	ZINC000575357658	386734456	/nfs/dbraw/zinc/73/44/56/386734456.db2.gz	VPLIJTXOYMLRDP-AWEZNQCLSA-N	0	0	246.394	5.038	10	0		BKAERN
CCCCCCc1ccc(C(=O)[C@H](C)CC)cc1	ZINC000575357660	388860150	/nfs/dbraw/zinc/86/01/50/388860150.db2.gz	VPLIJTXOYMLRDP-CQSZACIVSA-N	0	0	246.394	5.038	10	0		BKAERN
CCCC(CCC)C(=O)c1cccc(C(C)C)c1	ZINC000575358677	386757439	/nfs/dbraw/zinc/75/74/39/386757439.db2.gz	ZDAPAJKSOVTCDK-UHFFFAOYSA-N	0	0	246.394	5.209	10	0		BKAERN
CCCC[C@H](CC)C(=O)c1cccc(C(C)C)c1	ZINC000575358680	386757377	/nfs/dbraw/zinc/75/73/77/386757377.db2.gz	ZFFYGWOGWYDWJM-AWEZNQCLSA-N	0	0	246.394	5.209	10	0		BKAERN
CCCC[C@@H](CC)C(=O)c1cccc(C(C)C)c1	ZINC000575358681	386757745	/nfs/dbraw/zinc/75/77/45/386757745.db2.gz	ZFFYGWOGWYDWJM-CQSZACIVSA-N	0	0	246.394	5.209	10	0		BKAERN
CCCCCc1ccc(C(=O)C(C)(C)CC)cc1	ZINC000575358970	386757362	/nfs/dbraw/zinc/75/73/62/386757362.db2.gz	MRCNCEQSJTYXLW-UHFFFAOYSA-N	0	0	246.394	5.038	10	0		BKAERN
CCCCCc1ccc(C(=O)C(CC)CC)cc1	ZINC000575359023	386758354	/nfs/dbraw/zinc/75/83/54/386758354.db2.gz	OPTYBZGLDBRABM-UHFFFAOYSA-N	0	0	246.394	5.038	10	0		BKAERN
CCCCCc1ccc(C(=O)[C@@H](C)CCC)cc1	ZINC000575359167	386759478	/nfs/dbraw/zinc/75/94/78/386759478.db2.gz	WFMWQMXXTCBKKV-AWEZNQCLSA-N	0	0	246.394	5.038	10	0		BKAERN
CCCCCc1ccc(C(=O)[C@H](C)CCC)cc1	ZINC000575359169	386761771	/nfs/dbraw/zinc/76/17/71/386761771.db2.gz	WFMWQMXXTCBKKV-CQSZACIVSA-N	0	0	246.394	5.038	10	0		BKAERN
CCC(C)(C)c1cccc(Nc2ccccc2)c1	ZINC000584592346	358250403	/nfs/dbraw/zinc/25/04/03/358250403.db2.gz	ASEVOCUPFOJECZ-UHFFFAOYSA-N	0	0	239.362	5.118	10	0		BKAERN
CCC[C@H]1CC[C@H](c2ccc(Cl)cc2)CC1	ZINC000584593736	387068682	/nfs/dbraw/zinc/06/86/82/387068682.db2.gz	MUUBDVYNXNPJLQ-JOCQHMNTSA-N	0	0	236.786	5.414	10	0		BKAERN
CCC[C@H]1CC[C@H]([C@H]2CC[C@H](C)CC2)CC1	ZINC000584613898	387100794	/nfs/dbraw/zinc/10/07/94/387100794.db2.gz	GXLOSSKAKQGKJC-BIAGXBKMSA-N	0	0	222.416	5.419	10	0		BKAERN
C/C=C/C[C@H]1CC[C@H]([C@H]2CC[C@H](CC)CC2)CC1	ZINC000584613917	387101579	/nfs/dbraw/zinc/10/15/79/387101579.db2.gz	HKAAZMSUYLHUBH-NWYLIVIOSA-N	0	0	248.454	5.975	10	0		BKAERN
C/C=C/[C@H]1CC[C@H]([C@H]2CC[C@H](/C=C/C)CC2)CC1	ZINC000584613965	387094360	/nfs/dbraw/zinc/09/43/60/387094360.db2.gz	INDIWWBFPCCGNS-DMXTYRCXSA-N	0	0	246.438	5.751	10	0		BKAERN
CC/C=C/[C@H]1CC[C@H]([C@H]2CC[C@H](CC)CC2)CC1	ZINC000584613970	387093479	/nfs/dbraw/zinc/09/34/79/387093479.db2.gz	IRVDLBGIJBPOHN-IRRQPNPPSA-N	0	0	248.454	5.975	10	0		BKAERN
CCC/C=C/[C@H]1CC[C@H]([C@H]2CC[C@H](C)CC2)CC1	ZINC000584614251	358278757	/nfs/dbraw/zinc/27/87/57/358278757.db2.gz	VIEXZBFSLTVOKW-IRRQPNPPSA-N	0	0	248.454	5.975	10	0		BKAERN
CCCCCCc1c[nH]c(CCCCCC)c1	ZINC000584619945	358286882	/nfs/dbraw/zinc/28/68/82/358286882.db2.gz	WRBYMYAFSVKRKZ-UHFFFAOYSA-N	0	0	235.415	5.260	10	0		BKAERN
Cc1csc(-c2c(Cl)cccc2Cl)c1	ZINC000584621377	358288679	/nfs/dbraw/zinc/28/86/79/358288679.db2.gz	ZRJULKSEZDIAHE-UHFFFAOYSA-N	0	0	243.158	5.030	10	0		BKAERN
c1csc(-c2pc3ccccc3s2)c1	ZINC000584622380	358290648	/nfs/dbraw/zinc/29/06/48/358290648.db2.gz	QNRDWMVEQSKVOG-UHFFFAOYSA-N	0	0	234.285	5.210	10	0		BKAERN
CC(C)(Cl)CCCCCCC(C)(C)Cl	ZINC000584624321	358292334	/nfs/dbraw/zinc/29/23/34/358292334.db2.gz	WDJQLGBBKCNZJZ-UHFFFAOYSA-N	0	0	239.230	5.362	10	0		BKAERN
C[C@@]12CCC[C@H]1[C@@H]1CC[C@@H]3CCCC[C@H]3[C@H]1CC2	ZINC000584637707	358323651	/nfs/dbraw/zinc/32/36/51/358323651.db2.gz	GRXPVLPQNMUNNX-ZDRBWGSPSA-N	0	0	246.438	5.419	10	0		BKAERN
C/C(=C\c1ccccc1)c1cccc2c1CCCC2	ZINC000584650930	358305676	/nfs/dbraw/zinc/30/56/76/358305676.db2.gz	ICYVJPBBLIXEBK-CCEZHUSRSA-N	0	0	248.369	5.126	10	0		BKAERN
C/C(=C/c1ccccc1)c1cccc2c1CCCC2	ZINC000584650933	358305772	/nfs/dbraw/zinc/30/57/72/358305772.db2.gz	ICYVJPBBLIXEBK-PFONDFGASA-N	0	0	248.369	5.126	10	0		BKAERN
CCCC/C(=C/SC(C)C)SC(C)C	ZINC000584659949	358311920	/nfs/dbraw/zinc/31/19/20/358311920.db2.gz	DMVOFPGIDRBXMW-XFXZXTDPSA-N	0	0	232.458	5.301	10	0		BKAERN
CC1=C(C)[C@H](C)C(c2ccc(C(C)C)cc2)=C1C	ZINC000584660797	358311880	/nfs/dbraw/zinc/31/18/80/358311880.db2.gz	DRCDBGCQHIWNJO-AWEZNQCLSA-N	0	0	240.390	5.570	10	0		BKAERN
CC1=C(C)[C@@H](C)C(c2ccc(C(C)C)cc2)=C1C	ZINC000584660801	358311929	/nfs/dbraw/zinc/31/19/29/358311929.db2.gz	DRCDBGCQHIWNJO-CQSZACIVSA-N	0	0	240.390	5.570	10	0		BKAERN
CC1=CCC(C)(C)/C=C\C/C(C)=C\CC1	ZINC000585660568	345637451	/nfs/dbraw/zinc/63/74/51/345637451.db2.gz	FAMPSKZZVDUYOS-FNNNAZSSSA-N	0	0	204.357	5.035	10	0		BKAERN
CCC(C)(C)C1CCC(C(C)(C)Cl)CC1	ZINC000725261478	538086714	/nfs/dbraw/zinc/08/67/14/538086714.db2.gz	RZPXLIKQUPLGDV-UHFFFAOYSA-N	0	0	230.823	5.246	10	0		BKAERN